#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkd s GLN 4 N 0.00 0.66 0.16 -0.52 -0.21 -1.26 -4.95 119.66 113.54 2rkd s GLN 4 Ca 0.00 1.16 0.23 0.00 0.02 0.00 0.00 55.36 56.77 2rkd s GLN 4 Cb 0.00 0.12 0.21 0.00 1.00 0.00 0.00 33.01 34.34 2rkd s GLN 4 CO 0.00 -0.15 1.22 -0.07 -2.12 0.00 0.00 175.29 174.17 2rkd h LEU 5 N 7.03 0.00 0.00 2.90 3.38 -2.07 -3.48 115.31 123.07 2rkd h LEU 5 Ca -0.31 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2rkd h LEU 5 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2rkd h LEU 5 CO 0.18 0.07 0.00 1.41 0.09 0.00 0.00 178.44 180.19 2rkd n HIS 6 N -2.36 0.00 -0.35 1.13 8.25 -1.26 -5.10 115.22 115.53 2rkd n HIS 6 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2rkd n HIS 6 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2rkd n HIS 6 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2rkd n ASN 7 N 0.00 0.68 -1.35 0.41 3.02 -1.26 -4.92 115.26 111.83 2rkd n ASN 7 Ca 0.00 -1.03 0.04 0.00 -0.03 0.00 0.00 54.58 53.56 2rkd n ASN 7 Cb 0.00 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.47 2rkd n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rkd n GLY 8 N -0.01 3.83 0.01 7.41 0.00 -1.26 -4.42 105.19 110.75 2rkd n GLY 8 Ca 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 2rkd n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rkd n LEU 9 N -0.26 0.58 -4.62 0.99 4.77 -1.26 -4.96 117.00 112.24 2rkd n LEU 9 Ca 0.28 -0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 2rkd n LEU 9 Cb 1.07 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 42.17 2rkd n LEU 9 CO 0.25 0.16 0.91 -0.62 -1.33 0.00 0.00 177.39 176.76 2rkd s ASP 10 N -3.54 6.82 -0.10 -1.43 -1.08 -1.26 -4.92 116.67 111.17 2rkd s ASP 10 Ca -0.02 0.84 0.15 0.00 -0.52 0.00 0.00 52.55 53.00 2rkd s ASP 10 Cb 0.01 -2.52 0.61 0.00 -1.46 0.00 0.00 42.92 39.55 2rkd s ASP 10 CO 0.11 -0.92 1.49 0.49 0.52 0.00 0.00 175.17 176.85 2rkd n PHE 11 N 6.97 1.26 -0.29 -5.34 3.72 -1.26 -4.54 117.46 117.98 2rkd n PHE 11 Ca 0.11 -0.50 0.05 0.00 -0.05 0.00 0.00 57.45 57.06 2rkd n PHE 11 Cb 0.48 -0.22 0.20 0.00 -0.94 0.00 0.00 39.48 39.00 2rkd n PHE 11 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2rkd h SER 12 N 3.43 0.55 0.29 4.37 0.02 -1.99 -1.47 113.55 118.75 2rkd h SER 12 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2rkd h SER 12 Cb 1.26 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2rkd h SER 12 CO 0.20 0.27 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 2rkd n ALA 13 N -2.41 1.28 0.95 3.77 0.00 -1.26 -2.41 120.51 120.43 2rkd n ALA 13 Ca 0.15 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.86 2rkd n ALA 13 Cb 0.37 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.48 2rkd n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2rkd n LYS 14 N -2.28 1.46 -2.43 0.00 5.02 -0.56 -4.92 118.16 114.45 2rkd n LYS 14 Ca -0.00 -1.13 -0.43 0.00 -2.02 0.00 0.00 58.31 54.73 2rkd n LYS 14 Cb 0.11 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 2rkd n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2rkd s VAL 15 N -2.29 4.28 -0.85 -0.18 1.01 -1.01 -0.87 120.40 120.49 2rkd s VAL 15 Ca 0.19 1.55 0.18 0.00 0.00 0.00 0.00 61.98 63.89 2rkd s VAL 15 Cb 0.17 -4.01 -0.19 0.00 0.00 0.00 0.00 36.38 32.36 2rkd s VAL 15 CO 0.50 -0.15 0.75 2.30 0.00 0.00 0.00 175.10 178.50 2rkd n ILE 16 N 5.40 0.00 -3.69 2.22 -5.35 0.61 -4.90 119.36 113.65 2rkd n ILE 16 Ca 0.14 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.43 2rkd n ILE 16 Cb 0.45 1.00 -0.10 0.00 -1.74 0.00 0.00 39.64 39.25 2rkd n ILE 16 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2rkd s GLN 17 N -2.66 0.49 0.90 6.28 0.74 -1.24 -4.99 119.66 119.19 2rkd s GLN 17 Ca 0.07 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.31 2rkd s GLN 17 Cb 0.13 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2rkd s GLN 17 CO 0.72 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.74 2rkd n GLY 18 N 3.91 -1.77 3.00 2.59 0.00 -1.26 -1.10 105.19 110.56 2rkd n GLY 18 Ca -0.20 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 2rkd n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rkd s SER 19 N -4.00 -0.14 0.22 1.61 0.15 -1.26 -4.99 113.70 105.29 2rkd s SER 19 Ca 0.00 0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 2rkd s SER 19 Cb 0.00 0.26 0.18 0.00 -1.71 0.00 0.00 66.02 64.76 2rkd s SER 19 CO 0.00 -0.06 1.68 -0.07 1.20 0.00 0.00 173.24 175.99 2rkd h LEU 20 N 6.10 0.90 -2.05 3.45 3.38 -1.93 -3.21 115.31 121.95 2rkd h LEU 20 Ca -0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2rkd h LEU 20 Cb 1.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2rkd h LEU 20 CO 0.42 0.99 -0.03 0.44 0.09 0.00 0.00 178.44 180.35 2rkd h ASP 21 N 0.84 0.00 1.12 -0.43 3.32 -2.01 -2.76 116.42 116.51 2rkd h ASP 21 Ca 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2rkd h ASP 21 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2rkd h ASP 21 CO 0.03 0.03 -0.90 0.77 -1.72 0.00 0.00 179.24 177.45 2rkd h SER 22 N 0.00 0.00 -3.80 6.45 4.64 -1.98 -3.47 113.55 115.40 2rkd h SER 22 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2rkd h SER 22 Cb 0.06 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.27 2rkd h SER 22 CO 0.00 0.15 0.66 0.18 -0.87 0.00 0.00 176.83 176.96 2rkd n LEU 23 N -2.82 4.64 -4.73 5.97 4.32 -1.04 -4.97 117.00 118.38 2rkd n LEU 23 Ca -0.01 1.16 -0.40 0.00 -0.02 0.00 0.00 56.01 56.74 2rkd n LEU 23 Cb 0.62 -1.58 0.03 0.00 -1.62 0.00 0.00 43.42 40.87 2rkd n LEU 23 CO 0.40 -0.20 0.95 -2.65 -1.22 0.00 0.00 177.39 174.67 2rkd n PRO 24 N 0.11 1.89 -0.28 3.23 -0.02 -1.26 -4.68 135.00 133.99 2rkd n PRO 24 Ca 0.04 0.68 -0.07 0.00 -2.02 0.00 0.00 63.50 62.14 2rkd n PRO 24 Cb 0.40 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 2rkd n PRO 24 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2rkd n GLN 25 N -0.41 -0.28 0.20 -0.52 7.27 -1.26 -0.58 117.38 121.80 2rkd n GLN 25 Ca 0.08 1.01 0.07 0.00 0.07 0.00 0.00 57.00 58.23 2rkd n GLN 25 Cb 0.42 -1.49 0.39 0.00 2.41 0.00 0.00 30.24 31.98 2rkd n GLN 25 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2rkd h GLU 26 N 0.00 0.00 -0.17 3.69 4.39 -1.94 -2.16 114.58 118.39 2rkd h GLU 26 Ca 0.12 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 2rkd h GLU 26 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2rkd h GLU 26 CO -0.63 0.32 -0.25 0.28 -1.16 0.00 0.00 179.01 177.58 2rkd h VAL 27 N 0.00 1.35 -0.64 3.13 2.07 -1.19 -2.58 116.25 118.39 2rkd h VAL 27 Ca -0.00 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.12 2rkd h VAL 27 Cb 0.81 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 2rkd h VAL 27 CO 0.04 0.44 0.33 -0.09 0.02 0.00 0.00 177.57 178.31 2rkd h ARG 28 N 0.10 0.59 -0.80 1.57 2.43 -0.99 -0.71 114.38 116.57 2rkd h ARG 28 Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2rkd h ARG 28 Cb 0.82 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2rkd h ARG 28 CO 0.06 0.39 0.38 0.87 -1.51 0.00 0.00 179.97 180.15 2rkd h LYS 29 N 0.61 1.16 0.20 0.20 1.57 -1.41 0.17 116.57 119.06 2rkd h LYS 29 Ca 0.30 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2rkd h LYS 29 Cb 0.23 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2rkd h LYS 29 CO -0.21 0.90 -0.10 0.35 -0.57 0.00 0.00 179.45 179.82 2rkd h PHE 30 N 1.13 -0.25 0.31 -1.35 3.57 -1.07 -0.88 116.94 118.40 2rkd h PHE 30 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2rkd h PHE 30 Cb 0.13 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2rkd h PHE 30 CO 0.01 -0.05 -0.15 0.28 -2.23 0.00 0.00 178.31 176.17 2rkd h VAL 31 N -0.41 0.70 -0.15 1.41 2.07 -1.00 -2.55 116.25 116.31 2rkd h VAL 31 Ca -0.03 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2rkd h VAL 31 Cb 0.32 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2rkd h VAL 31 CO 0.05 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.27 2rkd h GLU 32 N -0.43 0.30 -0.74 1.57 5.08 -0.72 0.95 114.58 120.60 2rkd h GLU 32 Ca -0.04 -0.11 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2rkd h GLU 32 Cb 0.33 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2rkd h GLU 32 CO 0.07 0.58 0.37 0.78 -1.00 0.00 0.00 179.01 179.81 2rkd h GLY 33 N -0.00 1.12 2.00 -3.84 0.00 -1.23 0.90 103.07 102.01 2rkd h GLY 33 Ca 0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 2rkd h GLY 33 CO 0.02 0.05 -0.69 3.43 0.00 0.00 0.00 176.54 179.35 2rkd h ASN 34 N 0.62 0.00 -0.50 0.19 2.35 -1.31 -2.28 115.58 114.64 2rkd h ASN 34 Ca 0.37 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 2rkd h ASN 34 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2rkd h ASN 34 CO -0.28 0.69 0.23 0.00 -1.65 0.00 0.00 177.43 176.42 2rkd h ALA 35 N 1.31 0.65 -0.90 -0.83 0.00 -0.17 0.12 119.26 119.43 2rkd h ALA 35 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2rkd h ALA 35 Cb 1.33 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2rkd h ALA 35 CO 0.09 0.23 0.58 1.96 0.00 0.00 0.00 179.25 182.12 2rkd h GLN 36 N 0.67 1.09 0.01 0.00 4.20 -0.69 0.83 115.11 121.21 2rkd h GLN 36 Ca 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2rkd h GLN 36 Cb 0.15 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2rkd h GLN 36 CO -0.02 0.72 -0.01 1.25 -0.67 0.00 0.00 178.83 180.10 2rkd h LEU 37 N 1.12 -0.02 0.00 1.46 5.85 -1.22 -3.37 115.31 119.14 2rkd h LEU 37 Ca 0.37 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2rkd h LEU 37 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2rkd h LEU 37 CO -0.13 0.65 -0.55 0.00 -0.34 0.00 0.00 178.44 178.07 2rkd n GLN 39 N -2.65 -5.02 -1.57 0.00 1.13 0.28 -0.71 117.38 108.83 2rkd n GLN 39 Ca 0.02 0.76 -0.33 0.00 -1.94 0.00 0.00 57.00 55.51 2rkd n GLN 39 Cb 0.51 -5.55 0.07 0.00 0.11 0.00 0.00 30.24 25.38 2rkd n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2rkd s PRO 40 N -5.42 2.44 0.14 -1.09 0.04 -1.26 -3.04 135.00 126.82 2rkd s PRO 40 Ca 0.11 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 2rkd s PRO 40 Cb -0.02 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2rkd s PRO 40 CO 0.76 -1.56 1.41 1.49 0.04 0.00 0.00 177.00 179.15 2rkd h GLU 41 N -0.20 0.70 -4.51 4.56 4.81 -0.61 -3.46 114.58 115.87 2rkd h GLU 41 Ca -0.47 -0.50 -0.22 0.00 -0.13 0.00 0.00 59.36 58.05 2rkd h GLU 41 Cb 1.27 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.56 2rkd h GLU 41 CO 0.52 1.12 -0.70 0.71 -0.73 0.00 0.00 179.01 179.92 2rkd s TYR 42 N -3.91 0.73 -0.15 0.92 2.02 -1.19 -4.87 117.35 110.89 2rkd s TYR 42 Ca -0.09 -0.80 0.02 0.00 -0.37 0.00 0.00 57.07 55.82 2rkd s TYR 42 Cb 0.10 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.23 2rkd s TYR 42 CO 0.88 -0.17 -0.20 0.42 -1.57 0.00 0.00 175.55 174.90 2rkd s ILE 43 N -2.93 2.21 -0.30 2.71 1.01 -0.05 -0.14 121.20 123.71 2rkd s ILE 43 Ca 0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 2rkd s ILE 43 Cb 0.01 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.61 2rkd s ILE 43 CO -0.04 0.54 0.02 -2.28 0.00 0.00 0.00 174.94 173.18 2rkd s HIS 44 N 0.89 3.22 -0.51 3.97 2.46 -0.09 -0.28 115.29 124.94 2rkd s HIS 44 Ca -0.05 -1.61 -0.25 0.00 0.47 0.00 0.00 55.06 53.62 2rkd s HIS 44 Cb -0.15 -2.16 0.03 0.00 -0.13 0.00 0.00 32.58 30.18 2rkd s HIS 44 CO -0.03 -0.75 0.93 0.42 -2.47 0.00 0.00 174.74 172.84 2rkd s ILE 45 N 1.33 4.43 0.28 0.89 1.01 -0.26 -0.37 121.20 128.50 2rkd s ILE 45 Ca -0.03 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 2rkd s ILE 45 Cb -0.19 -4.49 -0.11 0.00 0.01 0.00 0.00 42.46 37.69 2rkd s ILE 45 CO -0.00 -0.98 1.55 0.00 0.00 0.00 0.00 174.94 175.51 2rkd n ASP 47 N 2.25 0.76 0.00 0.00 5.68 -1.26 -4.18 116.55 119.80 2rkd n ASP 47 Ca 0.08 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.69 2rkd n ASP 47 Cb 0.38 1.27 0.00 0.00 -1.14 0.00 0.00 41.12 41.63 2rkd n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rkd n GLY 48 N 1.43 0.53 3.79 6.12 0.00 -1.26 -1.74 105.19 114.06 2rkd n GLY 48 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2rkd n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rkd s SER 49 N -2.18 5.17 0.29 1.61 1.04 -1.26 -4.92 113.70 113.44 2rkd s SER 49 Ca 0.00 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.22 2rkd s SER 49 Cb 0.00 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 64.00 2rkd s SER 49 CO 0.00 -1.58 1.91 -0.08 0.98 0.00 0.00 173.24 174.47 2rkd h GLU 50 N -0.38 1.02 0.29 4.02 4.57 -1.99 -2.28 114.58 119.83 2rkd h GLU 50 Ca -0.45 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 57.60 2rkd h GLU 50 Cb 1.23 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2rkd h GLU 50 CO 0.55 0.75 -0.14 1.49 -1.18 0.00 0.00 179.01 180.48 2rkd h GLU 51 N 1.03 -0.37 -0.75 1.92 4.81 -1.99 -0.57 114.58 118.66 2rkd h GLU 51 Ca 0.26 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2rkd h GLU 51 Cb 0.03 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.40 2rkd h GLU 51 CO -0.04 -0.23 0.29 1.49 -0.73 0.00 0.00 179.01 179.78 2rkd h GLU 52 N -0.41 0.41 0.31 1.92 4.81 -1.92 -1.30 114.58 118.41 2rkd h GLU 52 Ca -0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2rkd h GLU 52 Cb 0.31 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2rkd h GLU 52 CO 0.06 0.27 -0.15 -0.92 -0.73 0.00 0.00 179.01 177.55 2rkd h TYR 53 N 0.42 -0.39 -0.91 0.92 3.20 -1.11 -1.79 116.97 117.31 2rkd h TYR 53 Ca 0.41 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.30 2rkd h TYR 53 Cb 0.63 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 2rkd h TYR 53 CO -0.18 -0.06 0.60 0.78 -1.64 0.00 0.00 178.16 177.66 2rkd h GLY 54 N -0.74 1.30 1.06 1.82 0.00 -0.95 -1.28 103.07 104.29 2rkd h GLY 54 Ca -0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2rkd h GLY 54 CO 0.07 0.41 -0.22 3.21 0.00 0.00 0.00 176.54 180.01 2rkd h ARG 55 N 1.17 0.89 -0.63 4.80 3.08 -1.25 -1.86 114.38 120.58 2rkd h ARG 55 Ca 0.35 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2rkd h ARG 55 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2rkd h ARG 55 CO -0.10 1.05 0.09 1.25 -1.07 0.00 0.00 179.97 181.19 2rkd h LEU 56 N 0.72 1.02 -0.18 3.04 5.85 -0.95 -0.83 115.31 123.98 2rkd h LEU 56 Ca 0.09 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2rkd h LEU 56 Cb 0.79 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2rkd h LEU 56 CO 0.07 1.03 0.10 -0.07 -0.34 0.00 0.00 178.44 179.22 2rkd h LEU 57 N 0.97 0.23 -1.25 2.25 3.38 -1.18 -1.13 115.31 118.57 2rkd h LEU 57 Ca 0.19 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2rkd h LEU 57 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2rkd h LEU 57 CO 0.01 0.25 0.06 0.00 0.09 0.00 0.00 178.44 178.85 2rkd h ALA 58 N 0.99 1.39 -0.51 1.53 0.00 -1.20 0.65 119.26 122.11 2rkd h ALA 58 Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2rkd h ALA 58 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2rkd h ALA 58 CO -0.01 0.43 -0.08 1.25 0.00 0.00 0.00 179.25 180.84 2rkd h HIS 59 N 0.56 1.07 -0.58 0.00 -0.00 -0.96 0.70 115.15 115.94 2rkd h HIS 59 Ca 0.13 -0.22 -0.06 0.00 -0.00 0.00 0.00 60.37 60.22 2rkd h HIS 59 Cb 0.27 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 2rkd h HIS 59 CO 0.01 1.01 0.11 0.52 -0.00 0.00 0.00 177.93 179.59 2rkd h MET 60 N 0.83 0.92 -0.36 5.26 2.07 -0.74 -2.45 114.93 120.46 2rkd h MET 60 Ca 0.14 -0.21 -0.02 0.00 -2.07 0.00 0.00 59.70 57.53 2rkd h MET 60 Cb 0.64 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.23 2rkd h MET 60 CO 0.04 0.84 0.15 0.37 1.07 0.00 0.00 176.91 179.38 2rkd h GLN 61 N 0.88 0.54 -0.69 1.72 4.15 -0.62 0.24 115.11 121.34 2rkd h GLN 61 Ca 0.18 -0.10 0.13 0.00 0.77 0.00 0.00 58.65 59.64 2rkd h GLN 61 Cb 0.35 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 27.86 2rkd h GLN 61 CO 0.00 0.52 0.19 0.93 -1.93 0.00 0.00 178.83 178.55 2rkd h GLU 62 N 0.44 0.31 -0.15 1.69 5.08 -0.72 -2.77 114.58 118.46 2rkd h GLU 62 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2rkd h GLU 62 Cb 0.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2rkd h GLU 62 CO -0.01 0.20 0.00 0.39 -1.00 0.00 0.00 179.01 178.59 2rkd n GLU 63 N -5.10 1.60 -1.11 2.33 1.02 -0.94 -4.90 120.64 113.54 2rkd n GLU 63 Ca 0.12 -0.91 -0.04 0.00 -0.02 0.00 0.00 57.16 56.31 2rkd n GLU 63 Cb 0.39 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2rkd n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rkd n GLY 64 N 1.06 0.65 0.19 0.62 0.00 -1.01 -4.91 105.19 101.79 2rkd n GLY 64 Ca 0.15 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2rkd n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rkd h VAL 65 N 0.00 1.32 -3.36 1.61 2.07 -1.20 -3.45 116.25 113.25 2rkd h VAL 65 Ca -0.08 -2.27 -0.34 0.00 0.82 0.00 0.00 66.70 64.83 2rkd h VAL 65 Cb 0.45 2.33 -0.15 0.00 -1.52 0.00 0.00 31.29 32.40 2rkd h VAL 65 CO 0.12 0.70 -0.72 0.27 0.02 0.00 0.00 177.57 177.96 2rkd s ILE 66 N -3.37 1.22 -0.05 4.57 -4.36 -1.12 -4.55 121.20 113.54 2rkd s ILE 66 Ca -0.08 -2.05 0.05 0.00 -0.26 0.00 0.00 60.65 58.30 2rkd s ILE 66 Cb 0.08 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 2rkd s ILE 66 CO 0.90 -0.72 -0.18 -0.13 0.24 0.00 0.00 174.94 175.04 2rkd s ARG 67 N -3.68 2.48 0.18 0.37 0.52 0.72 -4.19 118.95 115.35 2rkd s ARG 67 Ca 0.17 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2rkd s ARG 67 Cb 0.02 -2.29 -0.08 0.00 0.52 0.00 0.00 34.95 33.13 2rkd s ARG 67 CO 0.01 0.55 1.02 0.21 0.02 0.00 0.00 175.30 177.11 2rkd s LYS 68 N -0.55 4.69 -0.53 3.54 2.20 -1.26 0.07 119.74 127.90 2rkd s LYS 68 Ca 0.08 1.60 -0.18 0.00 -0.36 0.00 0.00 55.97 57.10 2rkd s LYS 68 Cb -0.11 -3.30 0.08 0.00 -1.51 0.00 0.00 37.83 32.99 2rkd s LYS 68 CO 0.01 0.23 0.61 -0.51 -0.36 0.00 0.00 175.35 175.33 2rkd s LEU 69 N -0.56 5.27 0.31 5.43 1.43 -0.02 -4.90 118.68 125.65 2rkd s LEU 69 Ca 0.46 -1.19 0.26 0.00 -1.03 0.00 0.00 54.13 52.62 2rkd s LEU 69 Cb -0.27 -2.35 1.03 0.00 0.03 0.00 0.00 46.19 44.63 2rkd s LEU 69 CO 0.33 -0.93 1.76 0.07 0.23 0.00 0.00 176.35 177.82 2rkd h LYS 70 N 9.02 0.00 0.00 1.70 2.10 -1.81 -2.92 116.57 124.65 2rkd h LYS 70 Ca -0.28 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.25 2rkd h LYS 70 Cb 1.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 2rkd h LYS 70 CO 1.00 0.00 -0.53 -0.22 -2.00 0.00 0.00 179.45 177.70 2rkd h LYS 71 N 0.00 0.00 -5.96 0.07 3.64 -1.50 -3.47 116.57 109.35 2rkd h LYS 71 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2rkd h LYS 71 Cb 0.42 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 2rkd h LYS 71 CO 0.00 0.53 -0.43 0.71 -2.27 0.00 0.00 179.45 177.99 2rkd s TYR 72 N -3.50 2.47 -0.44 1.91 2.02 -1.10 -5.03 117.35 113.67 2rkd s TYR 72 Ca -0.00 -0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 55.85 2rkd s TYR 72 Cb 0.11 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2rkd s TYR 72 CO 0.73 -0.00 0.81 0.34 -1.57 0.00 0.00 175.55 175.86 2rkd s ASP 73 N -4.03 6.44 -1.30 2.29 2.15 -1.20 -4.41 116.67 116.61 2rkd s ASP 73 Ca 0.41 -0.02 -0.05 0.00 0.43 0.00 0.00 52.55 53.33 2rkd s ASP 73 Cb 0.01 -2.40 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2rkd s ASP 73 CO 0.23 -0.93 0.61 -3.20 -0.17 0.00 0.00 175.17 171.71 2rkd n ASN 74 N 6.78 -1.80 -4.49 -0.34 5.15 -1.26 -1.08 115.26 118.23 2rkd n ASN 74 Ca 0.03 -0.94 -0.30 0.00 -0.60 0.00 0.00 54.58 52.78 2rkd n ASN 74 Cb 0.48 -3.53 -0.12 0.00 -0.53 0.00 0.00 39.78 36.08 2rkd n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rkd s TRP 76 N -1.05 0.70 -0.05 0.00 0.52 -0.32 -0.84 118.94 117.90 2rkd s TRP 76 Ca 0.17 -0.75 0.01 0.00 0.02 0.00 0.00 56.10 55.55 2rkd s TRP 76 Cb -0.11 -0.43 0.02 0.00 -1.15 0.00 0.00 33.47 31.81 2rkd s TRP 76 CO 0.08 -0.16 -0.07 -1.17 0.02 0.00 0.00 176.95 175.65 2rkd s LEU 77 N -2.35 1.42 -0.09 2.99 2.96 0.11 0.02 118.68 123.74 2rkd s LEU 77 Ca 0.01 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2rkd s LEU 77 Cb -0.01 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 2rkd s LEU 77 CO -0.03 -0.03 -0.22 0.00 -1.32 0.00 0.00 176.35 174.74 2rkd s ALA 78 N 0.86 2.25 -0.16 5.97 0.00 -0.30 -0.20 121.76 130.18 2rkd s ALA 78 Ca -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 2rkd s ALA 78 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2rkd s ALA 78 CO 0.01 0.34 -0.12 -0.51 0.00 0.00 0.00 175.76 175.48 2rkd s LEU 79 N 0.11 2.67 0.52 0.00 1.43 -1.26 -0.75 118.68 121.40 2rkd s LEU 79 Ca -0.11 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2rkd s LEU 79 Cb -0.16 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2rkd s LEU 79 CO 0.06 0.10 0.75 0.42 0.23 0.00 0.00 176.35 177.92 2rkd s THR 80 N 0.72 3.30 0.13 5.49 -4.23 -1.26 -4.77 115.64 115.01 2rkd s THR 80 Ca -0.06 -0.51 -0.33 0.00 -1.18 0.00 0.00 61.69 59.61 2rkd s THR 80 Cb -0.15 -3.24 -0.12 0.00 1.34 0.00 0.00 72.50 70.32 2rkd s THR 80 CO 0.02 -0.18 1.71 -0.67 -0.54 0.00 0.00 174.62 174.96 2rkd n ASP 81 N -2.28 3.58 0.21 3.99 -0.08 -1.26 -4.87 116.55 115.84 2rkd n ASP 81 Ca 0.05 1.04 0.15 0.00 -1.51 0.00 0.00 54.79 54.52 2rkd n ASP 81 Cb 0.59 -1.48 0.75 0.00 2.34 0.00 0.00 41.12 43.32 2rkd n ASP 81 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2rkd h PRO 82 N 7.16 0.00 0.00 -0.67 0.13 -1.96 0.67 132.00 137.33 2rkd h PRO 82 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rkd h PRO 82 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2rkd h PRO 82 CO 0.93 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 2rkd h ARG 83 N 0.00 0.00 -2.85 0.86 3.08 -2.01 -3.39 114.38 110.07 2rkd h ARG 83 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2rkd h ARG 83 Cb 0.07 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.71 2rkd h ARG 83 CO 0.00 0.00 -0.72 0.34 -1.07 0.00 0.00 179.97 178.52 2rkd s ASP 84 N -4.47 3.60 0.00 7.04 2.15 0.23 -4.90 116.67 120.32 2rkd s ASP 84 Ca 0.06 -3.48 0.00 0.00 0.43 0.00 0.00 52.55 49.56 2rkd s ASP 84 Cb 0.10 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 2rkd s ASP 84 CO 0.48 -0.13 0.33 1.33 -0.17 0.00 0.00 175.17 177.01 2rkd n VAL 85 N 2.41 0.04 -3.58 1.11 0.24 -1.26 -4.60 118.33 112.68 2rkd n VAL 85 Ca 0.22 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.34 62.12 2rkd n VAL 85 Cb 0.39 1.35 -0.02 0.00 -1.47 0.00 0.00 33.84 34.09 2rkd n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rkd s ALA 86 N -0.04 -1.71 0.23 2.33 0.00 -1.26 -4.83 121.76 116.48 2rkd s ALA 86 Ca 0.00 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 2rkd s ALA 86 Cb 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 23.12 23.55 2rkd s ALA 86 CO 0.00 -0.81 1.28 0.54 0.00 0.00 0.00 175.76 176.76 2rkd n ARG 87 N -0.34 1.68 -3.81 0.00 1.74 -1.26 -4.88 116.66 109.79 2rkd n ARG 87 Ca -0.09 0.60 -0.36 0.00 -0.77 0.00 0.00 57.85 57.23 2rkd n ARG 87 Cb 0.62 -2.17 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 2rkd n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rkd s ILE 88 N -0.27 3.21 0.26 0.55 -1.09 -1.26 -4.98 121.20 117.62 2rkd s ILE 88 Ca 0.68 -1.89 -0.05 0.00 -2.23 0.00 0.00 60.65 57.17 2rkd s ILE 88 Cb -0.72 -3.12 0.24 0.00 -1.58 0.00 0.00 42.46 37.28 2rkd s ILE 88 CO 0.52 -0.54 1.91 -0.33 -1.23 0.00 0.00 174.94 175.27 2rkd h GLU 89 N 8.03 1.20 0.00 2.79 3.07 -1.94 -2.66 114.58 125.07 2rkd h GLU 89 Ca -0.15 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2rkd h GLU 89 Cb 1.05 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 2rkd h GLU 89 CO 0.65 0.84 0.00 -1.13 -1.40 0.00 0.00 179.01 177.97 2rkd n SER 90 N -4.36 0.00 -0.03 1.42 3.41 -1.26 -1.46 113.62 111.33 2rkd n SER 90 Ca 0.10 0.36 0.04 0.00 -0.26 0.00 0.00 58.87 59.11 2rkd n SER 90 Cb 0.06 -0.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 2rkd n SER 90 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2rkd n LYS 91 N -1.42 2.24 -4.02 4.33 5.02 -1.02 -5.00 118.16 118.29 2rkd n LYS 91 Ca 0.04 -1.89 -0.35 0.00 -2.02 0.00 0.00 58.31 54.09 2rkd n LYS 91 Cb 0.13 -1.18 -0.12 0.00 -0.02 0.00 0.00 35.03 33.84 2rkd n LYS 91 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2rkd s THR 92 N -1.69 4.25 0.04 -0.18 2.01 -0.54 -0.55 115.64 118.98 2rkd s THR 92 Ca 0.12 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2rkd s THR 92 Cb 0.11 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 2rkd s THR 92 CO 0.01 0.42 -0.04 0.68 -0.69 0.00 0.00 174.62 175.00 2rkd s VAL 93 N 0.92 0.28 -0.06 3.82 -7.23 -0.01 -4.56 120.40 113.55 2rkd s VAL 93 Ca 0.02 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2rkd s VAL 93 Cb -0.14 -0.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.90 2rkd s VAL 93 CO 0.02 -0.69 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.26 2rkd s ILE 94 N -2.51 1.93 -0.23 -0.62 1.01 -0.48 -1.17 121.20 119.13 2rkd s ILE 94 Ca -0.04 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 2rkd s ILE 94 Cb -0.02 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2rkd s ILE 94 CO -0.04 0.54 0.05 -0.63 0.00 0.00 0.00 174.94 174.86 2rkd s ILE 95 N -0.00 4.27 0.13 2.92 1.09 0.47 -1.82 121.20 128.26 2rkd s ILE 95 Ca -0.07 -0.19 -0.00 0.00 -1.10 0.00 0.00 60.65 59.28 2rkd s ILE 95 Cb -0.14 -2.97 -0.04 0.00 -1.06 0.00 0.00 42.46 38.24 2rkd s ILE 95 CO 0.05 0.37 0.04 0.42 -0.10 0.00 0.00 174.94 175.71 2rkd s THR 96 N 1.34 0.25 0.14 2.92 -4.23 -1.26 -4.26 115.64 110.54 2rkd s THR 96 Ca 0.05 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 2rkd s THR 96 Cb -0.15 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 2rkd s THR 96 CO 0.03 -0.51 1.77 -0.61 -0.54 0.00 0.00 174.62 174.76 2rkd h GLN 97 N 2.85 0.31 -5.58 3.99 4.15 -1.98 -3.41 115.11 115.45 2rkd h GLN 97 Ca -0.35 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.39 2rkd h GLN 97 Cb 1.20 -0.07 -0.20 0.00 0.21 0.00 0.00 27.48 28.62 2rkd h GLN 97 CO 0.61 0.21 -0.66 -1.21 -1.93 0.00 0.00 178.83 175.84 2rkd s GLU 98 N -6.17 3.38 0.22 1.69 0.41 -1.26 -4.95 118.70 112.03 2rkd s GLU 98 Ca -0.13 -0.50 -0.08 0.00 -0.41 0.00 0.00 54.97 53.85 2rkd s GLU 98 Cb 0.10 -2.83 0.26 0.00 -1.78 0.00 0.00 34.13 29.88 2rkd s GLU 98 CO 0.71 0.40 1.83 0.37 -0.49 0.00 0.00 175.26 178.08 2rkd h GLN 99 N 6.15 0.81 -0.22 1.61 4.15 -1.93 -2.70 115.11 122.98 2rkd h GLN 99 Ca -0.38 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.06 2rkd h GLN 99 Cb 1.19 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2rkd h GLN 99 CO 0.59 0.53 0.19 -0.09 -1.93 0.00 0.00 178.83 178.13 2rkd h ARG 100 N 0.83 0.00 0.00 1.69 2.43 -1.95 0.30 114.38 117.68 2rkd h ARG 100 Ca 0.32 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2rkd h ARG 100 Cb 0.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2rkd h ARG 100 CO -0.16 0.00 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.63 2rkd h ASP 101 N 0.00 0.00 0.05 -3.80 3.32 -1.91 -3.32 116.42 110.77 2rkd h ASP 101 Ca 0.10 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.80 2rkd h ASP 101 Cb 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2rkd h ASP 101 CO -0.00 0.23 -2.03 0.41 -1.72 0.00 0.00 179.24 176.13 2rkd n THR 102 N -3.54 1.63 -3.87 0.35 -1.04 0.00 -1.06 114.28 106.74 2rkd n THR 102 Ca -0.01 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.05 61.43 2rkd n THR 102 Cb 0.38 -1.75 -0.12 0.00 -1.82 0.00 0.00 70.33 67.02 2rkd n THR 102 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2rkd s VAL 103 N -2.50 0.03 0.67 12.58 -7.23 -0.64 -1.68 120.40 121.63 2rkd s VAL 103 Ca -0.29 -0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 59.43 2rkd s VAL 103 Cb 0.08 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.82 2rkd s VAL 103 CO 0.65 -0.15 1.21 -2.84 -0.31 0.00 0.00 175.10 173.66 2rkd s PRO 104 N -0.47 2.52 -0.36 4.82 0.02 -1.26 -3.92 135.00 136.35 2rkd s PRO 104 Ca -0.05 1.80 -0.23 0.00 0.02 0.00 0.00 61.00 62.53 2rkd s PRO 104 Cb -0.03 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.62 2rkd s PRO 104 CO 0.00 -1.55 0.78 0.42 -0.33 0.00 0.00 177.00 176.33 2rkd s ILE 105 N -1.80 4.73 0.62 2.83 -1.09 -1.26 -4.93 121.20 120.29 2rkd s ILE 105 Ca 0.76 0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 59.90 2rkd s ILE 105 Cb -0.30 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.35 2rkd s ILE 105 CO 0.40 -0.43 1.11 -2.84 -1.23 0.00 0.00 174.94 171.95 2rkd s PRO 106 N 3.10 3.01 0.05 2.79 0.02 -1.26 -4.67 135.00 138.04 2rkd s PRO 106 Ca 0.31 1.46 -0.11 0.00 0.02 0.00 0.00 61.00 62.68 2rkd s PRO 106 Cb -0.13 -1.97 -0.32 0.00 0.02 0.00 0.00 34.50 32.09 2rkd s PRO 106 CO 0.17 -1.09 1.07 -0.22 -0.33 0.00 0.00 177.00 176.59 2rkd h LYS 107 N 0.44 0.44 0.00 5.54 3.64 -1.38 -3.44 116.57 121.82 2rkd h LYS 107 Ca -0.48 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.17 2rkd h LYS 107 Cb 1.25 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2rkd h LYS 107 CO 0.55 1.35 -0.31 0.43 -2.27 0.00 0.00 179.45 179.20 2rkd n SER 108 N -3.65 1.37 0.00 4.20 7.64 -1.26 -5.09 113.62 116.83 2rkd n SER 108 Ca -0.13 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2rkd n SER 108 Cb 1.06 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2rkd n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rkd n GLY 109 N 2.86 4.37 3.85 0.23 0.00 -1.26 -5.13 105.19 110.11 2rkd n GLY 109 Ca -0.04 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 2rkd n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rkd s GLN 110 N 3.08 4.03 0.11 1.61 0.74 -1.26 -4.65 119.66 123.32 2rkd s GLN 110 Ca 0.00 0.67 -0.30 0.00 0.05 0.00 0.00 55.36 55.78 2rkd s GLN 110 Cb 0.00 -2.52 -0.07 0.00 1.10 0.00 0.00 33.01 31.52 2rkd s GLN 110 CO 0.00 0.21 1.18 0.45 -0.55 0.00 0.00 175.29 176.57 2rkd s SER 111 N -2.18 7.12 0.00 6.67 0.15 -1.26 -4.92 113.70 119.29 2rkd s SER 111 Ca 0.52 2.08 0.23 0.00 0.70 0.00 0.00 55.95 59.47 2rkd s SER 111 Cb -0.11 -2.59 0.34 0.00 -1.71 0.00 0.00 66.02 61.95 2rkd s SER 111 CO 0.18 -0.39 1.33 0.00 1.20 0.00 0.00 173.24 175.56 2rkd n GLN 112 N 3.29 2.38 -0.20 5.44 6.02 -1.26 -4.55 117.38 128.50 2rkd n GLN 112 Ca 0.07 -2.14 0.10 0.00 -0.01 0.00 0.00 57.00 55.01 2rkd n GLN 112 Cb 0.46 -1.48 0.20 0.00 1.02 0.00 0.00 30.24 30.44 2rkd n GLN 112 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2rkd n LEU 113 N 1.40 3.28 0.00 1.08 4.77 -1.26 -4.83 117.00 121.43 2rkd n LEU 113 Ca 0.17 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2rkd n LEU 113 Cb 0.59 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2rkd n LEU 113 CO 0.15 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2rkd n GLY 114 N 1.23 0.09 2.59 -0.72 0.00 -1.26 -4.66 105.19 102.45 2rkd n GLY 114 Ca 0.17 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 2rkd n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rkd s ARG 115 N -1.89 0.11 0.12 1.61 0.52 -1.26 -4.86 118.95 113.30 2rkd s ARG 115 Ca 0.00 -0.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.83 2rkd s ARG 115 Cb 0.00 -1.64 -0.07 0.00 0.52 0.00 0.00 34.95 33.76 2rkd s ARG 115 CO 0.00 -0.77 0.55 -0.46 0.02 0.00 0.00 175.30 174.64 2rkd s TRP 116 N 2.12 3.68 -0.02 -0.53 -0.00 -1.26 -1.38 118.94 121.54 2rkd s TRP 116 Ca 0.04 1.14 0.03 0.00 -0.00 0.00 0.00 56.10 57.31 2rkd s TRP 116 Cb -0.16 -2.42 -0.00 0.00 -0.00 0.00 0.00 33.47 30.89 2rkd s TRP 116 CO -0.17 0.49 -0.12 1.41 -0.00 0.00 0.00 176.95 178.56 2rkd s MET 117 N -1.64 1.15 0.71 5.86 -2.45 -0.76 -4.89 119.30 117.29 2rkd s MET 117 Ca 0.34 -0.41 -0.14 0.00 -1.25 0.00 0.00 55.69 54.23 2rkd s MET 117 Cb -0.17 -1.06 0.03 0.00 1.25 0.00 0.00 34.83 34.88 2rkd s MET 117 CO 0.19 0.19 1.15 -1.54 1.05 0.00 0.00 175.02 176.06 2rkd s SER 118 N 0.00 4.57 0.31 1.11 1.04 -1.26 -3.99 113.70 115.49 2rkd s SER 118 Ca -0.01 2.13 -0.00 0.00 0.48 0.00 0.00 55.95 58.55 2rkd s SER 118 Cb -0.08 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 63.99 2rkd s SER 118 CO 0.00 -2.00 1.97 -0.33 0.98 0.00 0.00 173.24 173.87 2rkd h GLU 119 N -0.31 1.00 -0.24 4.02 5.08 -1.93 -0.25 114.58 121.96 2rkd h GLU 119 Ca -0.47 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2rkd h GLU 119 Cb 1.26 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2rkd h GLU 119 CO 0.51 0.66 0.06 0.93 -1.00 0.00 0.00 179.01 180.18 2rkd h GLU 120 N 1.03 0.37 -0.56 2.33 3.07 -1.97 -1.27 114.58 117.58 2rkd h GLU 120 Ca 0.30 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 58.98 2rkd h GLU 120 Cb -0.06 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 2rkd h GLU 120 CO -0.07 0.47 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.53 2rkd h ASP 121 N 0.21 0.98 -0.54 1.42 3.45 -1.86 -2.91 116.42 117.16 2rkd h ASP 121 Ca 0.07 -0.29 -0.05 0.00 0.43 0.00 0.00 57.03 57.20 2rkd h ASP 121 Cb 0.26 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 2rkd h ASP 121 CO -0.00 1.05 0.16 0.15 -1.57 0.00 0.00 179.24 179.03 2rkd h PHE 122 N 0.91 0.88 -0.82 4.55 3.57 -0.89 -1.89 116.94 123.24 2rkd h PHE 122 Ca 0.16 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2rkd h PHE 122 Cb 0.58 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2rkd h PHE 122 CO 0.04 0.76 0.50 1.49 -2.23 0.00 0.00 178.31 178.87 2rkd h GLU 123 N 0.75 1.11 -0.20 1.11 4.57 -1.17 0.27 114.58 121.02 2rkd h GLU 123 Ca 0.17 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2rkd h GLU 123 Cb 0.30 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2rkd h GLU 123 CO -0.00 0.78 0.11 0.87 -1.18 0.00 0.00 179.01 179.58 2rkd h LYS 124 N 1.13 0.29 -0.72 1.92 1.57 -1.45 -1.30 116.57 118.01 2rkd h LYS 124 Ca 0.30 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2rkd h LYS 124 Cb -0.05 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 2rkd h LYS 124 CO -0.06 0.28 0.44 0.00 -0.57 0.00 0.00 179.45 179.55 2rkd h ALA 125 N 0.99 0.95 -0.08 3.86 0.00 -0.77 -2.06 119.26 122.15 2rkd h ALA 125 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rkd h ALA 125 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2rkd h ALA 125 CO -0.01 0.19 0.03 0.35 0.00 0.00 0.00 179.25 179.81 2rkd h PHE 126 N 0.84 0.11 0.00 0.00 3.57 -0.35 -2.89 116.94 118.22 2rkd h PHE 126 Ca 0.30 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2rkd h PHE 126 Cb 0.08 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2rkd h PHE 126 CO -0.05 0.21 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.27 2rkd h ASN 127 N -0.02 0.00 0.15 0.41 2.35 -1.06 -1.37 115.58 116.04 2rkd h ASN 127 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2rkd h ASN 127 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2rkd h ASN 127 CO -0.00 0.06 -0.01 0.00 -1.65 0.00 0.00 177.43 175.83 2rkd n ALA 128 N -2.41 2.65 0.04 -0.83 0.00 -0.79 -4.50 120.51 114.66 2rkd n ALA 128 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2rkd n ALA 128 Cb 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2rkd n ALA 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rkd n ARG 129 N -0.92 0.00 0.10 0.00 1.74 -0.69 -4.97 116.66 111.93 2rkd n ARG 129 Ca 0.20 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.09 2rkd n ARG 129 Cb 0.18 -0.32 -0.12 0.00 -1.02 0.00 0.00 32.46 31.17 2rkd n ARG 129 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2rkd h PHE 130 N 0.00 0.78 -1.88 -1.55 -1.00 -1.52 -3.41 116.94 108.36 2rkd h PHE 130 Ca 0.00 -0.52 -0.65 0.00 2.81 0.00 0.00 57.97 59.61 2rkd h PHE 130 Cb 0.37 -0.05 0.02 0.00 3.61 0.00 0.00 35.95 39.90 2rkd h PHE 130 CO 0.00 1.38 1.00 -2.30 -1.61 0.00 0.00 178.31 176.78 2rkd n PRO 131 N -3.68 1.83 -0.92 1.51 -0.02 -1.26 -1.41 135.00 131.05 2rkd n PRO 131 Ca -0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2rkd n PRO 131 Cb 1.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2rkd n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rkd n GLY 132 N 4.23 0.66 0.28 -1.23 0.00 0.07 -4.91 105.19 104.29 2rkd n GLY 132 Ca 0.23 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.44 2rkd n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkd n MET 134 N -3.01 3.15 -1.62 0.00 2.81 0.12 -2.91 117.12 115.65 2rkd n MET 134 Ca -0.00 -2.60 -0.49 0.00 -1.81 0.00 0.00 57.70 52.79 2rkd n MET 134 Cb 0.23 -1.63 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 2rkd n MET 134 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2rkd n LYS 135 N 0.98 1.54 -0.98 0.03 4.81 -0.84 -1.11 118.16 122.59 2rkd n LYS 135 Ca 0.21 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 2rkd n LYS 135 Cb 0.69 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.52 2rkd n LYS 135 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rkd n GLY 136 N 2.73 0.98 3.53 3.14 0.00 -1.26 -0.24 105.19 114.07 2rkd n GLY 136 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2rkd n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rkd s ARG 137 N -0.03 1.88 0.03 1.61 0.52 -0.27 -4.78 118.95 117.91 2rkd s ARG 137 Ca 0.00 -1.70 -0.28 0.00 -0.52 0.00 0.00 55.73 53.23 2rkd s ARG 137 Cb 0.00 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 2rkd s ARG 137 CO 0.00 0.30 0.87 0.99 0.02 0.00 0.00 175.30 177.48 2rkd s THR 138 N -2.48 4.75 -0.38 0.02 2.01 -1.26 -0.06 115.64 118.24 2rkd s THR 138 Ca 0.31 1.85 -0.20 0.00 0.31 0.00 0.00 61.69 63.96 2rkd s THR 138 Cb -0.04 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2rkd s THR 138 CO 0.17 0.28 0.63 -0.32 -0.69 0.00 0.00 174.62 174.68 2rkd s MET 139 N 0.39 3.55 -0.03 4.92 1.75 0.81 -4.28 119.30 126.40 2rkd s MET 139 Ca 0.45 -0.10 -0.22 0.00 -1.25 0.00 0.00 55.69 54.56 2rkd s MET 139 Cb -0.21 -3.85 -0.05 0.00 2.84 0.00 0.00 34.83 33.56 2rkd s MET 139 CO 0.26 -0.82 0.66 0.71 -0.65 0.00 0.00 175.02 175.18 2rkd s TYR 140 N 2.73 3.64 -0.38 4.11 1.51 0.16 -0.92 117.35 128.20 2rkd s TYR 140 Ca 0.23 1.25 -0.12 0.00 -1.01 0.00 0.00 57.07 57.42 2rkd s TYR 140 Cb -0.14 -2.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2rkd s TYR 140 CO 0.16 0.21 0.22 0.08 -1.11 0.00 0.00 175.55 175.12 2rkd s VAL 141 N 0.31 4.75 -0.46 0.71 1.01 0.50 -1.26 120.40 125.97 2rkd s VAL 141 Ca 0.35 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2rkd s VAL 141 Cb -0.18 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.67 2rkd s VAL 141 CO 0.18 -0.22 0.33 -0.63 0.00 0.00 0.00 175.10 174.76 2rkd s ILE 142 N 1.59 4.45 -0.20 2.22 1.01 0.10 -1.24 121.20 129.13 2rkd s ILE 142 Ca 0.03 -1.50 -0.25 0.00 0.00 0.00 0.00 60.65 58.93 2rkd s ILE 142 Cb -0.19 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2rkd s ILE 142 CO 0.07 -0.65 0.84 -2.16 0.00 0.00 0.00 174.94 173.05 2rkd s PRO 143 N 1.45 4.25 0.02 2.79 0.05 -1.26 -1.07 135.00 141.23 2rkd s PRO 143 Ca 0.04 1.00 0.01 0.00 0.05 0.00 0.00 61.00 62.10 2rkd s PRO 143 Cb -0.25 -3.60 -0.02 0.00 0.05 0.00 0.00 34.50 30.68 2rkd s PRO 143 CO 0.02 -0.41 -0.05 -0.59 0.05 0.00 0.00 177.00 176.02 2rkd s PHE 144 N 2.45 0.44 -0.16 0.56 -0.71 -0.30 -1.15 117.98 119.10 2rkd s PHE 144 Ca 0.37 -0.35 -0.06 0.00 -1.04 0.00 0.00 56.93 55.86 2rkd s PHE 144 Cb -0.16 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 2rkd s PHE 144 CO 0.10 -0.08 0.04 0.45 -1.34 0.00 0.00 175.22 174.39 2rkd s SER 145 N -1.01 5.44 -0.56 1.98 0.15 0.65 -0.52 113.70 119.83 2rkd s SER 145 Ca -0.07 0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.46 2rkd s SER 145 Cb -0.07 -1.86 0.09 0.00 -1.71 0.00 0.00 66.02 62.47 2rkd s SER 145 CO -0.00 0.22 0.64 -0.04 1.20 0.00 0.00 173.24 175.25 2rkd s MET 146 N 0.10 3.05 0.00 5.44 -1.94 0.99 -2.95 119.30 123.99 2rkd s MET 146 Ca 0.04 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 2rkd s MET 146 Cb -0.13 -4.22 0.00 0.00 2.01 0.00 0.00 34.83 32.50 2rkd s MET 146 CO 0.01 -1.40 0.00 0.41 -0.01 0.00 0.00 175.02 174.03 2rkd n GLY 147 N 5.25 2.73 3.58 -0.03 0.00 0.15 -1.77 105.19 115.10 2rkd n GLY 147 Ca -0.10 -1.96 -0.46 0.00 0.00 0.00 0.00 46.02 43.50 2rkd n GLY 147 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rkd n PRO 148 N 0.26 1.27 -0.27 1.61 -0.02 -1.26 -4.85 135.00 131.73 2rkd n PRO 148 Ca 0.00 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 2rkd n PRO 148 Cb 0.00 -1.87 0.23 0.00 -0.02 0.00 0.00 33.50 31.84 2rkd n PRO 148 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2rkd h LEU 149 N 2.66 0.03 0.00 2.45 3.38 -1.94 -0.35 115.31 121.53 2rkd h LEU 149 Ca -0.41 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2rkd h LEU 149 Cb 1.34 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2rkd h LEU 149 CO 0.65 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2rkd n GLY 150 N -1.37 -1.32 3.73 0.83 0.00 -1.26 -4.95 105.19 100.85 2rkd n GLY 150 Ca 0.18 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2rkd n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rkd s SER 151 N -2.74 6.87 0.05 1.61 0.15 -0.14 -4.89 113.70 114.60 2rkd s SER 151 Ca 0.22 2.36 0.12 0.00 0.70 0.00 0.00 55.95 59.34 2rkd s SER 151 Cb 0.19 -2.60 0.52 0.00 -1.71 0.00 0.00 66.02 62.41 2rkd s SER 151 CO 0.46 -0.58 1.37 -2.65 1.20 0.00 0.00 173.24 173.05 2rkd n PRO 152 N 3.20 0.03 0.02 5.44 -0.02 -1.26 -2.19 135.00 140.22 2rkd n PRO 152 Ca 0.08 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 2rkd n PRO 152 Cb 0.43 -1.57 0.02 0.00 -0.02 0.00 0.00 33.50 32.35 2rkd n PRO 152 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2rkd n LEU 153 N -1.64 0.65 -4.81 2.45 4.77 -1.26 -4.99 117.00 112.17 2rkd n LEU 153 Ca 0.02 -0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.56 2rkd n LEU 153 Cb 0.12 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2rkd n LEU 153 CO 0.10 0.10 0.71 0.00 -1.33 0.00 0.00 177.39 176.97 2rkd s ALA 154 N -3.14 2.80 0.01 -1.18 0.00 -0.93 -4.97 121.76 114.35 2rkd s ALA 154 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2rkd s ALA 154 Cb 0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2rkd s ALA 154 CO 0.80 -0.76 -0.02 0.15 0.00 0.00 0.00 175.76 175.94 2rkd s LYS 155 N -4.25 0.16 -0.07 0.00 -0.14 -0.73 -4.98 119.74 109.73 2rkd s LYS 155 Ca 0.62 -0.20 -0.02 0.00 -1.36 0.00 0.00 55.97 55.00 2rkd s LYS 155 Cb -0.14 -0.05 -0.04 0.00 -1.68 0.00 0.00 37.83 35.92 2rkd s LYS 155 CO 0.39 0.01 0.05 0.42 -0.76 0.00 0.00 175.35 175.46 2rkd s ILE 156 N -0.40 4.65 0.24 2.17 1.01 -1.26 -0.01 121.20 127.59 2rkd s ILE 156 Ca -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.48 2rkd s ILE 156 Cb -0.03 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 2rkd s ILE 156 CO -0.00 0.54 -0.10 -0.83 0.00 0.00 0.00 174.94 174.55 2rkd s GLY 157 N -1.13 1.59 -0.17 6.18 0.00 0.32 -1.24 107.32 112.87 2rkd s GLY 157 Ca 0.16 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.12 2rkd s GLY 157 CO 0.06 -1.78 -0.14 -0.42 0.00 0.00 0.00 173.10 170.82 2rkd s ILE 158 N -3.03 1.67 -0.23 0.90 -1.09 -0.52 -1.15 121.20 117.74 2rkd s ILE 158 Ca 0.26 -0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 57.81 2rkd s ILE 158 Cb 0.02 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 2rkd s ILE 158 CO 0.09 0.39 0.08 -0.70 -1.23 0.00 0.00 174.94 173.56 2rkd s GLU 159 N 1.43 3.80 -0.17 2.79 2.12 -0.24 -0.42 118.70 128.02 2rkd s GLU 159 Ca 0.03 -0.41 -0.12 0.00 0.36 0.00 0.00 54.97 54.82 2rkd s GLU 159 Cb -0.14 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2rkd s GLU 159 CO -0.10 -0.01 0.23 -0.51 -0.54 0.00 0.00 175.26 174.32 2rkd s LEU 160 N 1.16 4.24 0.04 2.70 1.43 0.62 0.01 118.68 128.87 2rkd s LEU 160 Ca 0.05 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2rkd s LEU 160 Cb -0.14 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.83 2rkd s LEU 160 CO 0.04 0.14 0.22 0.28 0.23 0.00 0.00 176.35 177.26 2rkd s THR 161 N 0.35 0.10 -0.64 5.49 -1.32 -0.38 -0.34 115.64 118.89 2rkd s THR 161 Ca 0.13 -0.82 0.16 0.00 -1.21 0.00 0.00 61.69 59.95 2rkd s THR 161 Cb -0.12 -0.90 0.60 0.00 -1.51 0.00 0.00 72.50 70.57 2rkd s THR 161 CO 0.02 -0.45 1.52 -0.90 -2.21 0.00 0.00 174.62 172.59 2rkd n ASP 162 N 0.69 4.31 -4.18 8.08 5.68 -1.24 0.38 116.55 130.27 2rkd n ASP 162 Ca -0.19 -2.63 -0.35 0.00 -0.50 0.00 0.00 54.79 51.12 2rkd n ASP 162 Cb 0.59 -0.52 -0.14 0.00 -1.14 0.00 0.00 41.12 39.91 2rkd n ASP 162 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2rkd s SER 163 N -1.25 4.62 0.32 -1.12 0.15 -1.26 -4.83 113.70 110.34 2rkd s SER 163 Ca 0.44 -1.09 0.05 0.00 0.70 0.00 0.00 55.95 56.05 2rkd s SER 163 Cb 0.31 -1.69 0.69 0.00 -1.71 0.00 0.00 66.02 63.63 2rkd s SER 163 CO 0.17 -0.20 1.86 -0.65 1.20 0.00 0.00 173.24 175.62 2rkd h PRO 164 N 8.00 0.81 -0.76 5.44 0.11 -1.94 -1.73 132.00 141.93 2rkd h PRO 164 Ca -0.26 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.92 2rkd h PRO 164 Cb 1.08 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 31.92 2rkd h PRO 164 CO 0.55 0.54 0.36 -0.92 -0.21 0.00 0.00 178.00 178.32 2rkd h TYR 165 N 0.84 0.64 -0.46 0.65 5.03 -1.96 0.09 116.97 121.80 2rkd h TYR 165 Ca 0.47 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.77 2rkd h TYR 165 Cb 0.59 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 2rkd h TYR 165 CO -0.00 0.18 0.14 0.28 -1.32 0.00 0.00 178.16 177.44 2rkd h VAL 166 N 0.57 1.22 0.04 1.81 2.07 -1.67 -1.65 116.25 118.65 2rkd h VAL 166 Ca 0.40 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2rkd h VAL 166 Cb 0.51 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2rkd h VAL 166 CO -0.33 0.27 -0.15 0.58 0.02 0.00 0.00 177.57 177.96 2rkd h VAL 167 N 0.61 0.64 -0.38 2.57 2.07 -0.84 0.87 116.25 121.79 2rkd h VAL 167 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2rkd h VAL 167 Cb 0.27 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2rkd h VAL 167 CO -0.00 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.77 2rkd h ALA 168 N 0.63 0.46 -0.46 1.67 0.00 -0.95 -1.57 119.26 119.05 2rkd h ALA 168 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2rkd h ALA 168 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2rkd h ALA 168 CO -0.12 -0.19 -0.14 0.77 0.00 0.00 0.00 179.25 179.58 2rkd h SER 169 N 0.37 0.86 0.09 0.00 0.02 -1.20 -2.91 113.55 110.78 2rkd h SER 169 Ca 0.16 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2rkd h SER 169 Cb 0.08 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2rkd h SER 169 CO -0.12 1.00 -0.22 0.24 -1.14 0.00 0.00 176.83 176.59 2rkd h MET 170 N 0.77 0.24 -0.83 3.45 2.86 -0.54 -0.09 114.93 120.79 2rkd h MET 170 Ca 0.12 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2rkd h MET 170 Cb 0.65 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2rkd h MET 170 CO 0.05 0.46 0.51 -0.09 1.06 0.00 0.00 176.91 178.89 2rkd h ARG 171 N 0.22 1.12 -0.11 1.72 2.43 -1.09 -1.12 114.38 117.54 2rkd h ARG 171 Ca 0.04 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2rkd h ARG 171 Cb 0.52 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2rkd h ARG 171 CO 0.04 0.79 -0.36 0.82 -1.51 0.00 0.00 179.97 179.74 2rkd h ILE 172 N 1.14 1.38 0.00 1.20 2.04 -1.38 -3.36 117.51 118.52 2rkd h ILE 172 Ca 0.30 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2rkd h ILE 172 Cb -0.05 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2rkd h ILE 172 CO -0.06 0.50 -0.43 0.24 0.00 0.00 0.00 178.15 178.40 2rkd h MET 173 N 0.03 0.00 -4.88 2.37 2.86 -0.91 -2.85 114.93 111.56 2rkd h MET 173 Ca -0.01 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.25 2rkd h MET 173 Cb 0.98 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.50 2rkd h MET 173 CO 0.08 0.00 -0.59 0.95 1.06 0.00 0.00 176.91 178.41 2rkd s THR 174 N -3.24 0.43 -0.37 2.22 -4.23 -0.44 -0.62 115.64 109.40 2rkd s THR 174 Ca 0.05 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.38 2rkd s THR 174 Cb 0.09 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2rkd s THR 174 CO 0.71 0.00 0.50 -0.13 -0.54 0.00 0.00 174.62 175.16 2rkd s ARG 175 N -3.93 3.52 0.08 3.99 0.52 -1.15 -4.58 118.95 117.38 2rkd s ARG 175 Ca 0.37 -0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.34 2rkd s ARG 175 Cb 0.06 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 2rkd s ARG 175 CO 0.15 -0.69 -0.13 0.00 0.02 0.00 0.00 175.30 174.65 2rkd s MET 176 N 2.36 0.83 0.00 3.54 0.23 -1.26 -0.25 119.30 124.75 2rkd s MET 176 Ca 0.17 -1.01 0.00 0.00 -1.03 0.00 0.00 55.69 53.82 2rkd s MET 176 Cb -0.16 -0.76 0.00 0.00 -1.53 0.00 0.00 34.83 32.38 2rkd s MET 176 CO 0.14 0.16 0.00 0.41 -2.03 0.00 0.00 175.02 173.70 2rkd n GLY 177 N 1.08 0.66 0.31 3.16 0.00 -0.30 -4.27 105.19 105.83 2rkd n GLY 177 Ca -0.20 -2.13 -0.04 0.00 0.00 0.00 0.00 46.02 43.65 2rkd n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2rkd h THR 178 N 0.00 1.21 0.00 2.61 2.02 -1.50 -2.25 112.91 115.00 2rkd h THR 178 Ca 0.00 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2rkd h THR 178 Cb 0.00 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2rkd h THR 178 CO 0.00 0.20 -0.10 0.77 0.37 0.00 0.00 175.52 176.76 2rkd h SER 179 N 1.07 0.00 -0.25 4.18 4.64 -1.90 -1.09 113.55 120.19 2rkd h SER 179 Ca 0.29 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 2rkd h SER 179 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 2rkd h SER 179 CO -0.06 0.10 -0.06 0.58 -0.87 0.00 0.00 176.83 176.52 2rkd h VAL 180 N 0.00 1.28 -0.76 0.95 2.07 -1.72 -0.69 116.25 117.38 2rkd h VAL 180 Ca -0.00 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.50 2rkd h VAL 180 Cb 0.19 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2rkd h VAL 180 CO 0.01 0.33 0.46 -0.07 0.02 0.00 0.00 177.57 178.32 2rkd h LEU 181 N 0.22 0.72 -0.77 2.57 3.38 -1.23 0.63 115.31 120.83 2rkd h LEU 181 Ca 0.06 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2rkd h LEU 181 Cb 0.53 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2rkd h LEU 181 CO 0.02 0.47 -0.12 -0.33 0.09 0.00 0.00 178.44 178.57 2rkd h GLU 182 N 0.85 0.81 -0.24 1.13 5.08 -1.17 -2.68 114.58 118.36 2rkd h GLU 182 Ca 0.32 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 2rkd h GLU 182 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2rkd h GLU 182 CO -0.16 0.89 -0.37 0.00 -1.00 0.00 0.00 179.01 178.37 2rkd h ALA 183 N 1.13 0.90 0.22 3.43 0.00 -0.75 -3.33 119.26 120.87 2rkd h ALA 183 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2rkd h ALA 183 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2rkd h ALA 183 CO 0.04 0.63 -0.11 1.25 0.00 0.00 0.00 179.25 181.07 2rkd h LEU 184 N 0.46 -0.25 0.00 0.00 5.85 -0.62 -3.48 115.31 117.27 2rkd h LEU 184 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2rkd h LEU 184 Cb 0.86 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2rkd h LEU 184 CO 0.07 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 2rkd n GLY 185 N -0.51 3.00 0.97 3.75 0.00 -1.04 -1.74 105.19 109.62 2rkd n GLY 185 Ca -0.09 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2rkd n GLY 185 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rkd n ASP 186 N 2.45 2.73 -4.35 1.61 10.43 -1.26 -4.75 116.55 123.39 2rkd n ASP 186 Ca 0.00 -2.29 -0.29 0.00 2.57 0.00 0.00 54.79 54.78 2rkd n ASP 186 Cb 0.00 -0.47 0.18 0.00 1.84 0.00 0.00 41.12 42.68 2rkd n ASP 186 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2rkd s GLY 187 N -0.57 1.61 0.46 0.44 0.00 -0.71 -5.04 107.32 103.51 2rkd s GLY 187 Ca 0.24 -0.74 -0.21 0.00 0.00 0.00 0.00 44.72 44.02 2rkd s GLY 187 CO 0.10 -0.03 0.99 -0.54 0.00 0.00 0.00 173.10 173.62 2rkd s GLU 188 N -5.36 4.03 0.07 2.90 2.02 -1.26 -5.04 118.70 116.06 2rkd s GLU 188 Ca 0.68 1.22 -0.09 0.00 0.02 0.00 0.00 54.97 56.80 2rkd s GLU 188 Cb -0.12 -2.14 -0.00 0.00 0.10 0.00 0.00 34.13 31.97 2rkd s GLU 188 CO 0.55 -0.22 0.19 -0.59 0.02 0.00 0.00 175.26 175.21 2rkd s PHE 189 N -2.11 0.13 -0.15 1.61 -0.71 -1.26 -4.67 117.98 110.83 2rkd s PHE 189 Ca 0.64 -0.49 -0.24 0.00 -1.04 0.00 0.00 56.93 55.80 2rkd s PHE 189 Cb -0.12 -0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.61 2rkd s PHE 189 CO 0.17 -0.50 0.75 0.42 -1.34 0.00 0.00 175.22 174.71 2rkd s ILE 190 N -3.45 4.96 -0.38 -4.49 -1.09 -0.37 -4.95 121.20 111.43 2rkd s ILE 190 Ca 0.02 1.48 -0.27 0.00 -2.23 0.00 0.00 60.65 59.65 2rkd s ILE 190 Cb 0.03 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2rkd s ILE 190 CO -0.09 0.11 0.98 -0.54 -1.23 0.00 0.00 174.94 174.17 2rkd s LYS 191 N 1.70 3.85 -0.22 2.79 1.02 -0.26 -1.44 119.74 127.18 2rkd s LYS 191 Ca 0.36 0.63 -0.01 0.00 0.02 0.00 0.00 55.97 56.97 2rkd s LYS 191 Cb -0.17 -3.81 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 2rkd s LYS 191 CO 0.14 -1.01 -0.10 0.00 -0.92 0.00 0.00 175.35 173.46 2rkd s LEU 193 N 1.36 2.16 -0.01 0.00 2.96 0.17 -0.28 118.68 125.04 2rkd s LEU 193 Ca 0.03 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2rkd s LEU 193 Cb -0.15 -1.45 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 2rkd s LEU 193 CO -0.07 0.10 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.70 2rkd s HIS 194 N 0.67 0.77 0.00 5.38 5.65 0.54 -0.59 115.29 127.71 2rkd s HIS 194 Ca -0.10 -0.15 -0.00 0.00 0.25 0.00 0.00 55.06 55.05 2rkd s HIS 194 Cb -0.16 -0.51 -0.00 0.00 -1.18 0.00 0.00 32.58 30.73 2rkd s HIS 194 CO 0.01 -0.03 -0.00 0.45 -0.65 0.00 0.00 174.74 174.52 2rkd s SER 195 N -0.10 0.05 0.33 9.88 0.15 -0.69 -3.71 113.70 119.62 2rkd s SER 195 Ca 0.02 -0.10 0.26 0.00 0.70 0.00 0.00 55.95 56.82 2rkd s SER 195 Cb -0.04 0.03 1.13 0.00 -1.71 0.00 0.00 66.02 65.43 2rkd s SER 195 CO -0.00 -0.07 1.78 -0.37 1.20 0.00 0.00 173.24 175.78 2rkd h VAL 196 N 5.03 0.00 -2.09 4.45 -1.51 -1.88 0.15 116.25 120.40 2rkd h VAL 196 Ca -0.26 -0.24 -0.13 0.00 -1.23 0.00 0.00 66.70 64.84 2rkd h VAL 196 Cb 1.21 0.99 0.03 0.00 -2.13 0.00 0.00 31.29 31.39 2rkd h VAL 196 CO 0.49 0.00 -0.21 0.61 -1.23 0.00 0.00 177.57 177.23 2rkd n GLY 197 N -0.22 0.35 2.32 5.19 0.00 -1.26 -2.81 105.19 108.76 2rkd n GLY 197 Ca 0.01 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 2rkd n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkd s PRO 199 N -1.57 2.84 0.08 0.00 0.04 -1.15 -4.86 135.00 130.39 2rkd s PRO 199 Ca 0.36 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 2rkd s PRO 199 Cb 0.14 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 2rkd s PRO 199 CO -0.08 -1.37 0.49 -0.51 0.04 0.00 0.00 177.00 175.56 2rkd s LEU 200 N -4.02 4.41 0.36 -3.56 1.43 0.66 -3.36 118.68 114.60 2rkd s LEU 200 Ca 0.78 1.03 -0.27 0.00 -1.03 0.00 0.00 54.13 54.63 2rkd s LEU 200 Cb -0.37 -2.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 2rkd s LEU 200 CO 0.41 0.21 1.25 -2.16 0.23 0.00 0.00 176.35 176.28 2rkd s PRO 201 N -1.56 4.24 0.10 1.29 0.04 -1.26 -4.37 135.00 133.47 2rkd s PRO 201 Ca 0.32 2.08 -0.31 0.00 0.04 0.00 0.00 61.00 63.12 2rkd s PRO 201 Cb -0.16 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 2rkd s PRO 201 CO 0.17 -0.24 1.76 -0.51 0.04 0.00 0.00 177.00 178.23 2rkd s LEU 202 N -2.04 4.39 0.28 -3.56 1.43 -1.21 -4.89 118.68 113.07 2rkd s LEU 202 Ca 0.52 2.65 0.17 0.00 -1.03 0.00 0.00 54.13 56.43 2rkd s LEU 202 Cb -0.37 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.38 2rkd s LEU 202 CO 0.48 -0.96 1.40 0.11 0.23 0.00 0.00 176.35 177.61 2rkd h LYS 203 N 8.56 0.00 -5.84 1.70 1.79 -1.95 -3.46 116.57 117.37 2rkd h LYS 203 Ca -0.45 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.52 2rkd h LYS 203 Cb 1.21 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.67 2rkd h LYS 203 CO 0.94 0.39 -0.79 0.15 -1.08 0.00 0.00 179.45 179.06 2rkd s LYS 204 N -3.01 1.14 0.32 3.15 1.02 -1.26 -5.12 119.74 115.98 2rkd s LYS 204 Ca 0.04 -1.27 -0.29 0.00 0.02 0.00 0.00 55.97 54.47 2rkd s LYS 204 Cb 0.07 -1.21 -0.12 0.00 -0.52 0.00 0.00 37.83 36.05 2rkd s LYS 204 CO 0.74 0.26 1.50 -0.35 -0.92 0.00 0.00 175.35 176.58 2rkd n PRO 205 N 0.64 2.54 -2.96 -1.68 -0.04 -1.26 -4.96 135.00 127.28 2rkd n PRO 205 Ca -0.16 0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 63.79 2rkd n PRO 205 Cb 0.56 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.35 2rkd n PRO 205 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2rkd s LEU 206 N -0.93 4.12 -0.17 1.53 2.96 -1.26 -5.05 118.68 119.89 2rkd s LEU 206 Ca 0.60 1.01 -0.07 0.00 -0.22 0.00 0.00 54.13 55.45 2rkd s LEU 206 Cb -0.52 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2rkd s LEU 206 CO 0.55 -0.41 0.08 -0.69 -1.32 0.00 0.00 176.35 174.55 2rkd s VAL 207 N 2.39 4.92 -1.11 1.68 1.01 -1.26 -4.55 120.40 123.49 2rkd s VAL 207 Ca 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2rkd s VAL 207 Cb -0.16 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2rkd s VAL 207 CO 0.10 0.48 0.23 0.59 0.00 0.00 0.00 175.10 176.50 2rkd n ASN 208 N 3.28 -3.74 -3.38 3.32 5.03 -1.26 -0.75 115.26 117.75 2rkd n ASN 208 Ca -0.17 -0.05 -0.24 0.00 0.87 0.00 0.00 54.58 54.99 2rkd n ASN 208 Cb 0.53 -3.14 0.01 0.00 -1.02 0.00 0.00 39.78 36.15 2rkd n ASN 208 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2rkd n ASN 209 N -2.02 -4.30 -3.85 6.41 4.13 -1.26 -4.72 115.26 109.65 2rkd n ASN 209 Ca -0.08 -0.43 -0.30 0.00 1.68 0.00 0.00 54.58 55.45 2rkd n ASN 209 Cb 0.58 -3.52 -0.15 0.00 -1.54 0.00 0.00 39.78 35.15 2rkd n ASN 209 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2rkd s TRP 210 N -3.03 2.60 0.14 3.10 -0.11 0.07 -4.67 118.94 117.05 2rkd s TRP 210 Ca 0.42 -2.43 -0.31 0.00 1.22 0.00 0.00 56.10 55.00 2rkd s TRP 210 Cb -0.22 -2.27 -0.09 0.00 -1.50 0.00 0.00 33.47 29.40 2rkd s TRP 210 CO 0.52 -0.87 1.44 0.00 -4.62 0.00 0.00 176.95 173.41 2rkd s ALA 211 N 0.98 3.64 -0.04 5.86 0.00 -1.26 -4.43 121.76 126.50 2rkd s ALA 211 Ca 0.12 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2rkd s ALA 211 Cb -0.20 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.47 2rkd s ALA 211 CO -0.13 -0.66 0.92 0.00 0.00 0.00 0.00 175.76 175.89 2rkd s ASN 213 N -2.21 2.58 0.25 0.00 3.84 0.15 -4.86 114.94 114.69 2rkd s ASN 213 Ca 0.04 -3.08 -0.04 0.00 0.21 0.00 0.00 52.86 49.98 2rkd s ASN 213 Cb -0.01 -0.76 0.34 0.00 -0.55 0.00 0.00 41.25 40.27 2rkd s ASN 213 CO -0.07 -0.18 1.89 -0.65 -2.79 0.00 0.00 177.10 175.30 2rkd h PRO 214 N 5.87 1.15 0.00 0.43 0.11 -1.92 -2.26 132.00 135.38 2rkd h PRO 214 Ca 0.19 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 2rkd h PRO 214 Cb 0.89 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2rkd h PRO 214 CO 0.44 0.76 -0.25 0.93 -0.21 0.00 0.00 178.00 179.68 2rkd h GLU 215 N 1.19 0.00 -0.47 1.05 3.07 -1.95 -2.64 114.58 114.82 2rkd h GLU 215 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2rkd h GLU 215 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2rkd h GLU 215 CO -0.14 0.25 0.00 1.28 -1.40 0.00 0.00 179.01 179.00 2rkd n LEU 216 N -4.20 3.30 -4.71 1.33 4.77 -0.99 -5.00 117.00 111.50 2rkd n LEU 216 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 56.01 53.65 2rkd n LEU 216 Cb 0.30 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2rkd n LEU 216 CO 0.37 0.80 1.42 0.41 -1.33 0.00 0.00 177.39 179.07 2rkd n THR 217 N 1.03 0.15 -3.67 -5.08 -1.04 -0.89 -4.64 114.28 100.15 2rkd n THR 217 Ca 0.17 -0.03 -0.08 0.00 -2.04 0.00 0.00 64.05 62.07 2rkd n THR 217 Cb 0.51 -2.06 -0.09 0.00 -1.82 0.00 0.00 70.33 66.87 2rkd n THR 217 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2rkd s LEU 218 N 1.83 -0.58 -0.31 -4.42 2.96 -0.14 -4.85 118.68 113.18 2rkd s LEU 218 Ca 0.78 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.90 2rkd s LEU 218 Cb -0.49 1.77 0.09 0.00 0.50 0.00 0.00 46.19 48.05 2rkd s LEU 218 CO 0.34 -0.22 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.52 2rkd s ILE 219 N 1.88 2.28 0.06 6.68 1.09 0.28 -0.63 121.20 132.85 2rkd s ILE 219 Ca -0.08 -2.07 0.06 0.00 -1.10 0.00 0.00 60.65 57.46 2rkd s ILE 219 Cb -0.09 -2.56 -0.04 0.00 -1.06 0.00 0.00 42.46 38.72 2rkd s ILE 219 CO -0.16 -0.39 -0.10 0.00 -0.10 0.00 0.00 174.94 174.20 2rkd s ALA 220 N 0.98 2.94 -0.07 9.38 0.00 0.72 -0.83 121.76 134.88 2rkd s ALA 220 Ca 0.04 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2rkd s ALA 220 Cb -0.19 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.97 2rkd s ALA 220 CO -0.07 0.62 -0.13 -1.01 0.00 0.00 0.00 175.76 175.18 2rkd s HIS 221 N -1.10 1.59 -0.62 0.00 3.76 -0.32 -1.11 115.29 117.49 2rkd s HIS 221 Ca 0.19 -0.62 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 2rkd s HIS 221 Cb -0.11 -1.16 0.16 0.00 1.11 0.00 0.00 32.58 32.59 2rkd s HIS 221 CO 0.10 -0.31 0.42 -0.51 -0.85 0.00 0.00 174.74 173.59 2rkd s LEU 222 N 0.71 4.05 0.45 0.89 1.02 0.54 -0.40 118.68 125.94 2rkd s LEU 222 Ca -0.13 -3.54 0.11 0.00 0.02 0.00 0.00 54.13 50.59 2rkd s LEU 222 Cb -0.16 -1.40 1.01 0.00 0.02 0.00 0.00 46.19 45.67 2rkd s LEU 222 CO 0.03 -0.13 2.06 1.55 0.02 0.00 0.00 176.35 179.89 2rkd h PRO 223 N 5.67 0.36 0.00 1.29 0.13 -1.79 -1.11 132.00 136.55 2rkd h PRO 223 Ca 0.13 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2rkd h PRO 223 Cb 0.81 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2rkd h PRO 223 CO 0.64 0.24 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.05 2rkd h ASP 224 N 0.37 0.00 -0.02 1.44 5.19 -1.94 -2.77 116.42 118.70 2rkd h ASP 224 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2rkd h ASP 224 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2rkd h ASP 224 CO -0.03 0.16 -0.11 0.54 -3.12 0.00 0.00 179.24 176.68 2rkd n ARG 225 N -3.27 1.80 -3.67 3.56 1.74 -0.58 -4.98 116.66 111.27 2rkd n ARG 225 Ca 0.01 -1.55 -0.23 0.00 -0.77 0.00 0.00 57.85 55.31 2rkd n ARG 225 Cb 0.42 -1.40 0.06 0.00 -1.02 0.00 0.00 32.46 30.52 2rkd n ARG 225 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2rkd n ARG 226 N 0.87 -6.24 -4.88 5.56 5.12 -0.53 -4.87 116.66 111.70 2rkd n ARG 226 Ca 0.11 0.72 -0.26 0.00 -1.93 0.00 0.00 57.85 56.49 2rkd n ARG 226 Cb 0.50 -5.59 -0.16 0.00 -1.16 0.00 0.00 32.46 26.05 2rkd n ARG 226 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2rkd s GLU 227 N -6.09 1.69 -0.12 5.56 2.02 -0.89 -1.10 118.70 119.78 2rkd s GLU 227 Ca 0.32 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.69 2rkd s GLU 227 Cb -0.15 -1.53 -0.01 0.00 0.10 0.00 0.00 34.13 32.54 2rkd s GLU 227 CO 0.78 0.31 -0.19 0.42 0.02 0.00 0.00 175.26 176.60 2rkd s ILE 228 N -0.17 2.49 -0.15 -1.63 1.01 0.11 -0.34 121.20 122.53 2rkd s ILE 228 Ca 0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 2rkd s ILE 228 Cb -0.10 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.41 2rkd s ILE 228 CO 0.01 0.54 -0.01 -0.63 0.00 0.00 0.00 174.94 174.86 2rkd s ILE 229 N 0.41 0.69 -0.05 2.92 1.01 -0.27 -0.66 121.20 125.25 2rkd s ILE 229 Ca -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2rkd s ILE 229 Cb -0.17 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2rkd s ILE 229 CO 0.06 0.06 -0.08 -0.55 0.00 0.00 0.00 174.94 174.43 2rkd s SER 230 N 1.81 1.25 -0.02 3.58 0.15 0.24 -0.20 113.70 120.51 2rkd s SER 230 Ca 0.02 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.49 2rkd s SER 230 Cb -0.15 -0.54 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2rkd s SER 230 CO -0.07 0.00 -0.06 0.12 1.20 0.00 0.00 173.24 174.43 2rkd s PHE 231 N 0.67 0.74 0.00 3.44 5.36 0.20 -1.70 117.98 126.68 2rkd s PHE 231 Ca -0.11 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 2rkd s PHE 231 Cb -0.14 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.98 2rkd s PHE 231 CO 0.01 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 2rkd n GLY 232 N 3.43 3.32 3.47 13.12 0.00 0.04 -0.96 105.19 127.62 2rkd n GLY 232 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2rkd n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rkd s SER 233 N -0.43 4.15 0.00 1.61 0.15 -1.26 0.30 113.70 118.23 2rkd s SER 233 Ca 0.00 -0.19 0.23 0.00 0.70 0.00 0.00 55.95 56.68 2rkd s SER 233 Cb 0.00 -1.10 0.50 0.00 -1.71 0.00 0.00 66.02 63.71 2rkd s SER 233 CO 0.00 0.30 1.44 0.61 1.20 0.00 0.00 173.24 176.79 2rkd n GLY 234 N 2.60 1.68 3.71 9.45 0.00 -1.26 -4.45 105.19 116.93 2rkd n GLY 234 Ca -0.18 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2rkd n GLY 234 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2rkd s TYR 235 N -1.44 3.42 0.00 1.61 5.04 -1.26 -4.73 117.35 119.98 2rkd s TYR 235 Ca 0.40 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 2rkd s TYR 235 Cb 0.22 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 40.21 2rkd s TYR 235 CO 0.31 0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.12 2rkd n GLY 236 N 3.61 1.55 0.34 8.97 0.00 -1.26 -0.74 105.19 117.65 2rkd n GLY 236 Ca -0.13 0.35 0.18 0.00 0.00 0.00 0.00 46.02 46.42 2rkd n GLY 236 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rkd h GLY 237 N 0.00 0.00 1.91 -0.02 0.00 -1.94 0.24 103.07 103.26 2rkd h GLY 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rkd h GLY 237 CO 0.00 0.00 -0.09 3.43 0.00 0.00 0.00 176.54 179.88 2rkd h ASN 238 N 0.00 0.00 0.00 0.19 2.35 -1.28 -3.41 115.58 113.43 2rkd h ASN 238 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2rkd h ASN 238 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2rkd h ASN 238 CO -0.00 0.00 -0.75 -1.54 -1.65 0.00 0.00 177.43 173.49 2rkd n SER 239 N -3.03 3.38 -4.50 5.81 3.41 -0.50 -4.80 113.62 113.39 2rkd n SER 239 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 2rkd n SER 239 Cb 0.53 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 2rkd n SER 239 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2rkd s LEU 240 N -3.85 4.32 0.29 1.04 1.43 0.72 -4.87 118.68 117.76 2rkd s LEU 240 Ca 0.00 -1.82 0.26 0.00 -1.03 0.00 0.00 54.13 51.54 2rkd s LEU 240 Cb 0.00 -2.48 0.92 0.00 0.03 0.00 0.00 46.19 44.66 2rkd s LEU 240 CO 0.00 -1.26 1.76 -0.07 0.23 0.00 0.00 176.35 177.01 2rkd h LEU 241 N 11.52 0.00 -1.14 1.79 3.38 -1.86 -1.79 115.31 127.22 2rkd h LEU 241 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2rkd h LEU 241 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2rkd h LEU 241 CO 1.27 0.00 -0.28 1.23 0.09 0.00 0.00 178.44 180.74 2rkd h GLY 242 N 3.17 0.26 0.95 0.83 0.00 -1.95 -1.23 103.07 105.10 2rkd h GLY 242 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2rkd h GLY 242 CO 0.00 0.19 -0.30 1.70 0.00 0.00 0.00 176.54 178.13 2rkd h LYS 243 N 0.22 -0.81 0.00 4.80 1.63 -1.68 -1.97 116.57 118.76 2rkd h LYS 243 Ca 0.03 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 2rkd h LYS 243 Cb 0.62 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2rkd h LYS 243 CO 0.04 -0.52 -0.78 1.63 -3.45 0.00 0.00 179.45 176.38 2rkd n LYS 244 N -5.43 0.00 -0.07 1.90 4.76 -1.26 -4.46 118.16 113.60 2rkd n LYS 244 Ca -0.13 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.23 2rkd n LYS 244 Cb 0.35 -0.81 -0.01 0.00 -1.84 0.00 0.00 35.03 32.72 2rkd n LYS 244 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rkd h PHE 246 N 0.19 0.00 0.00 0.00 3.04 -1.35 -1.15 116.94 117.67 2rkd h PHE 246 Ca 0.12 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 2rkd h PHE 246 Cb 0.10 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 2rkd h PHE 246 CO -0.14 0.00 -0.06 0.00 -2.02 0.00 0.00 178.31 176.09 2rkd h ALA 247 N -1.23 1.49 0.00 2.41 0.00 -1.44 -0.18 119.26 120.30 2rkd h ALA 247 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2rkd h ALA 247 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2rkd h ALA 247 CO 0.00 0.08 -1.10 1.28 0.00 0.00 0.00 179.25 179.51 2rkd n LEU 248 N -3.87 0.94 0.14 0.00 4.77 -0.82 -4.60 117.00 113.56 2rkd n LEU 248 Ca -0.03 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 2rkd n LEU 248 Cb 0.16 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2rkd n LEU 248 CO 0.30 -0.09 0.18 0.03 -1.33 0.00 0.00 177.39 176.48 2rkd h ARG 249 N -0.34 -0.43 -0.35 3.23 3.08 -1.33 -0.75 114.38 117.48 2rkd h ARG 249 Ca -0.15 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2rkd h ARG 249 Cb 0.90 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2rkd h ARG 249 CO -0.09 -0.29 0.22 0.82 -1.07 0.00 0.00 179.97 179.56 2rkd h ILE 250 N -1.06 1.10 -0.72 2.04 1.08 -1.25 -3.16 117.51 115.55 2rkd h ILE 250 Ca -0.05 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 2rkd h ILE 250 Cb 0.34 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2rkd h ILE 250 CO 0.07 0.10 0.35 0.00 -0.69 0.00 0.00 178.15 177.98 2rkd h ALA 251 N 1.11 0.92 -0.76 1.87 0.00 -1.12 -1.62 119.26 119.66 2rkd h ALA 251 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2rkd h ALA 251 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2rkd h ALA 251 CO -0.03 0.48 0.50 0.66 0.00 0.00 0.00 179.25 180.87 2rkd h SER 252 N 1.00 0.83 -0.20 0.00 4.64 -1.12 0.40 113.55 119.10 2rkd h SER 252 Ca 0.25 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 2rkd h SER 252 Cb 0.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2rkd h SER 252 CO -0.03 0.59 -0.08 -0.09 -0.87 0.00 0.00 176.83 176.35 2rkd h ARG 253 N 0.98 0.41 -0.86 4.77 1.12 -1.43 -0.14 114.38 119.22 2rkd h ARG 253 Ca 0.29 -0.17 0.05 0.00 -1.11 0.00 0.00 59.98 59.03 2rkd h ARG 253 Cb -0.04 -0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 29.85 2rkd h ARG 253 CO -0.07 0.69 0.55 -0.07 -3.11 0.00 0.00 179.97 177.95 2rkd h LEU 254 N 0.12 0.88 -0.57 3.80 3.38 -0.75 -1.72 115.31 120.45 2rkd h LEU 254 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2rkd h LEU 254 Cb 0.56 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2rkd h LEU 254 CO 0.03 0.59 0.29 0.00 0.09 0.00 0.00 178.44 179.43 2rkd h ALA 255 N 1.38 0.74 -0.30 1.53 0.00 -0.07 0.52 119.26 123.06 2rkd h ALA 255 Ca 0.36 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2rkd h ALA 255 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2rkd h ALA 255 CO -0.14 0.28 0.12 -0.22 0.00 0.00 0.00 179.25 179.29 2rkd h LYS 256 N 0.77 0.25 -0.76 0.00 1.63 -0.67 0.12 116.57 117.92 2rkd h LYS 256 Ca 0.20 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 2rkd h LYS 256 Cb 0.10 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 2rkd h LYS 256 CO -0.03 0.16 0.37 0.93 -3.45 0.00 0.00 179.45 177.43 2rkd h GLU 257 N 0.25 1.09 -0.01 1.90 5.08 -0.99 -3.32 114.58 118.58 2rkd h GLU 257 Ca 0.13 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2rkd h GLU 257 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2rkd h GLU 257 CO -0.12 0.84 -0.53 0.39 -1.00 0.00 0.00 179.01 178.60 2rkd n GLU 258 N -4.39 1.21 -0.63 2.33 1.02 0.15 -4.98 120.64 115.33 2rkd n GLU 258 Ca 0.07 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 2rkd n GLU 258 Cb 0.13 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2rkd n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rkd n GLY 259 N 1.36 1.09 0.00 0.62 0.00 0.26 -5.04 105.19 103.49 2rkd n GLY 259 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2rkd n GLY 259 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rkd n TRP 260 N -2.29 0.00 -4.20 1.61 4.27 -0.27 -4.76 117.44 111.80 2rkd n TRP 260 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 2rkd n TRP 260 Cb 0.12 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 29.90 2rkd n TRP 260 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2rkd s LEU 261 N 0.00 1.31 -0.30 5.67 1.43 0.11 -4.18 118.68 122.72 2rkd s LEU 261 Ca 0.00 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2rkd s LEU 261 Cb 0.00 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.67 2rkd s LEU 261 CO 0.00 -0.05 0.02 0.00 0.23 0.00 0.00 176.35 176.54 2rkd s ALA 262 N 1.06 2.86 0.10 4.21 0.00 -1.26 -0.20 121.76 128.52 2rkd s ALA 262 Ca -0.08 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.22 2rkd s ALA 262 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 2rkd s ALA 262 CO -0.01 -1.22 -0.15 -1.21 0.00 0.00 0.00 175.76 173.17 2rkd s GLU 263 N 1.30 0.94 -1.43 0.00 0.41 0.06 -4.61 118.70 115.37 2rkd s GLU 263 Ca -0.04 -1.09 -0.12 0.00 -0.41 0.00 0.00 54.97 53.31 2rkd s GLU 263 Cb -0.19 -0.93 0.06 0.00 -1.78 0.00 0.00 34.13 31.29 2rkd s GLU 263 CO -0.00 0.20 2.23 1.58 -0.49 0.00 0.00 175.26 178.77 2rkd n HIS 264 N 0.96 3.26 -4.47 1.61 -0.00 -1.26 -1.27 115.22 114.05 2rkd n HIS 264 Ca -0.19 -2.94 -0.21 0.00 -0.00 0.00 0.00 57.72 54.38 2rkd n HIS 264 Cb 0.55 -2.39 -0.15 0.00 -0.00 0.00 0.00 29.99 28.00 2rkd n HIS 264 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2rkd s MET 265 N 2.32 1.02 0.70 1.57 -1.94 -0.30 -4.30 119.30 118.37 2rkd s MET 265 Ca 0.48 -0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 53.97 2rkd s MET 265 Cb 0.14 -0.95 0.02 0.00 2.01 0.00 0.00 34.83 36.04 2rkd s MET 265 CO -0.07 0.17 1.07 -0.48 -0.01 0.00 0.00 175.02 175.71 2rkd s LEU 266 N 0.00 3.17 -0.07 -0.03 0.05 -0.19 -2.37 118.68 119.24 2rkd s LEU 266 Ca -0.00 1.74 0.01 0.00 0.05 0.00 0.00 54.13 55.93 2rkd s LEU 266 Cb -0.07 -4.51 0.02 0.00 -2.05 0.00 0.00 46.19 39.57 2rkd s LEU 266 CO 0.00 -1.62 -0.09 -0.63 -0.55 0.00 0.00 176.35 173.47 2rkd s ILE 267 N -2.86 0.93 0.10 1.48 1.01 -0.12 -1.68 121.20 120.05 2rkd s ILE 267 Ca 0.60 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.98 2rkd s ILE 267 Cb -0.16 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2rkd s ILE 267 CO 0.52 0.32 -0.11 -1.48 0.00 0.00 0.00 174.94 174.19 2rkd s LEU 268 N 1.02 2.39 -0.13 2.97 0.05 -0.32 -1.18 118.68 123.49 2rkd s LEU 268 Ca -0.08 -0.78 -0.01 0.00 0.05 0.00 0.00 54.13 53.30 2rkd s LEU 268 Cb -0.15 -0.39 -0.02 0.00 -2.05 0.00 0.00 46.19 43.59 2rkd s LEU 268 CO -0.00 -0.21 -0.08 -0.83 -0.55 0.00 0.00 176.35 174.67 2rkd s GLY 269 N -2.35 1.63 -0.10 -3.48 0.00 0.71 -0.86 107.32 102.87 2rkd s GLY 269 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.93 2rkd s GLY 269 CO 0.01 -0.25 -0.15 -1.50 0.00 0.00 0.00 173.10 171.21 2rkd s ILE 270 N 0.11 1.45 -0.11 0.90 2.07 0.11 -0.57 121.20 125.16 2rkd s ILE 270 Ca -0.03 -0.63 -0.00 0.00 -1.41 0.00 0.00 60.65 58.57 2rkd s ILE 270 Cb -0.14 -1.32 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 2rkd s ILE 270 CO 0.04 0.43 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.51 2rkd s THR 271 N 0.88 3.37 0.73 4.00 2.01 -0.17 -0.67 115.64 125.78 2rkd s THR 271 Ca -0.09 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.27 2rkd s THR 271 Cb -0.15 -2.41 0.07 0.00 0.01 0.00 0.00 72.50 70.02 2rkd s THR 271 CO 0.00 0.54 1.04 0.54 -0.69 0.00 0.00 174.62 176.05 2rkd s ASN 272 N -0.01 4.67 0.00 3.53 6.03 -0.36 -1.32 114.94 127.48 2rkd s ASN 272 Ca -0.02 0.41 0.03 0.00 -1.03 0.00 0.00 52.86 52.25 2rkd s ASN 272 Cb -0.14 -1.00 0.19 0.00 -3.03 0.00 0.00 41.25 37.26 2rkd s ASN 272 CO 0.04 -1.69 0.62 -2.65 -2.03 0.00 0.00 177.10 171.38 2rkd n PRO 273 N -2.99 0.43 -0.17 3.55 -0.02 -1.14 -1.92 135.00 132.74 2rkd n PRO 273 Ca 0.09 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.62 2rkd n PRO 273 Cb 0.60 -1.11 0.14 0.00 -0.02 0.00 0.00 33.50 33.11 2rkd n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2rkd n GLU 274 N -0.61 2.62 -0.75 -0.52 1.02 -1.26 -4.99 120.64 116.14 2rkd n GLU 274 Ca 0.02 -2.19 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 2rkd n GLU 274 Cb 0.01 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2rkd n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rkd n GLY 275 N -0.36 1.13 3.70 0.62 0.00 -0.81 -5.02 105.19 104.45 2rkd n GLY 275 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2rkd n GLY 275 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rkd s LYS 276 N -0.14 4.44 -0.06 1.61 2.20 -1.26 -4.85 119.74 121.68 2rkd s LYS 276 Ca 0.00 1.25 0.03 0.00 -0.36 0.00 0.00 55.97 56.89 2rkd s LYS 276 Cb 0.00 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 2rkd s LYS 276 CO 0.00 -0.17 -0.16 0.21 -0.36 0.00 0.00 175.35 174.87 2rkd s LYS 277 N 1.53 2.64 0.01 4.03 2.20 -1.26 -1.23 119.74 127.65 2rkd s LYS 277 Ca 0.46 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 55.38 2rkd s LYS 277 Cb -0.19 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2rkd s LYS 277 CO 0.20 0.53 -0.13 0.15 -0.36 0.00 0.00 175.35 175.74 2rkd s LYS 278 N -0.48 0.93 -0.17 4.03 1.02 0.15 -4.97 119.74 120.26 2rkd s LYS 278 Ca 0.06 -0.56 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 2rkd s LYS 278 Cb -0.12 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 2rkd s LYS 278 CO 0.02 0.24 0.13 0.71 -0.92 0.00 0.00 175.35 175.53 2rkd s TYR 279 N -0.54 3.49 0.05 3.18 1.51 -1.25 0.06 117.35 123.85 2rkd s TYR 279 Ca 0.03 0.42 0.07 0.00 -1.01 0.00 0.00 57.07 56.58 2rkd s TYR 279 Cb -0.06 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2rkd s TYR 279 CO 0.00 0.49 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.22 2rkd s LEU 280 N -0.25 2.17 0.10 -1.29 1.43 -0.04 -1.13 118.68 119.67 2rkd s LEU 280 Ca 0.11 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2rkd s LEU 280 Cb -0.11 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2rkd s LEU 280 CO 0.01 0.14 -0.09 0.00 0.23 0.00 0.00 176.35 176.63 2rkd s ALA 281 N -0.82 2.97 -0.08 4.21 0.00 -0.51 -1.17 121.76 126.37 2rkd s ALA 281 Ca 0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 2rkd s ALA 281 Cb -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.15 2rkd s ALA 281 CO 0.02 0.64 0.18 0.00 0.00 0.00 0.00 175.76 176.60 2rkd s ALA 282 N -1.21 -0.38 -0.34 0.00 0.00 -0.68 -0.46 121.76 118.69 2rkd s ALA 282 Ca 0.21 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 2rkd s ALA 282 Cb -0.11 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2rkd s ALA 282 CO 0.14 -0.15 0.10 0.00 0.00 0.00 0.00 175.76 175.85 2rkd s ALA 283 N 0.89 3.01 0.05 0.00 0.00 0.89 -1.02 121.76 125.58 2rkd s ALA 283 Ca -0.07 -1.85 0.09 0.00 0.00 0.00 0.00 51.96 50.13 2rkd s ALA 283 Cb -0.08 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2rkd s ALA 283 CO -0.05 -1.38 -0.26 -0.06 0.00 0.00 0.00 175.76 174.01 2rkd s PHE 284 N 1.34 2.28 1.12 0.00 0.08 -1.26 -2.96 117.98 118.58 2rkd s PHE 284 Ca -0.01 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.44 2rkd s PHE 284 Cb -0.20 -1.36 0.28 0.00 -0.57 0.00 0.00 43.02 41.17 2rkd s PHE 284 CO 0.01 0.14 0.97 -2.30 -0.10 0.00 0.00 175.22 173.93 2rkd n PRO 285 N 1.72 -3.04 -1.75 0.24 -0.02 -1.26 -4.83 135.00 126.06 2rkd n PRO 285 Ca -0.17 -1.55 -0.40 0.00 -2.02 0.00 0.00 63.50 59.36 2rkd n PRO 285 Cb 0.52 -1.48 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 2rkd n PRO 285 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2rkd n SER 286 N -4.74 3.17 -2.05 2.55 3.41 -1.26 -3.43 113.62 111.27 2rkd n SER 286 Ca 0.14 1.14 -0.16 0.00 -0.26 0.00 0.00 58.87 59.72 2rkd n SER 286 Cb 0.53 -1.57 0.01 0.00 -0.26 0.00 0.00 64.21 62.91 2rkd n SER 286 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rkd n ALA 287 N -0.09 -0.60 -1.06 7.33 0.00 -1.26 -4.93 120.51 119.90 2rkd n ALA 287 Ca 0.05 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.76 2rkd n ALA 287 Cb 0.40 -2.43 0.17 0.00 0.00 0.00 0.00 19.45 17.59 2rkd n ALA 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rkd n GLY 289 N -1.22 0.38 0.40 0.00 0.00 -1.26 -4.99 105.19 98.50 2rkd n GLY 289 Ca 0.17 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 2rkd n GLY 289 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rkd h LYS 290 N -0.59 -0.93 -0.78 1.61 3.64 -1.94 -1.26 116.57 116.31 2rkd h LYS 290 Ca -0.17 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2rkd h LYS 290 Cb 1.11 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 33.10 2rkd h LYS 290 CO 0.18 -0.61 0.51 1.15 -2.27 0.00 0.00 179.45 178.41 2rkd h THR 291 N -1.23 0.99 -0.74 1.00 2.02 -1.95 -1.61 112.91 111.39 2rkd h THR 291 Ca -0.10 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.83 2rkd h THR 291 Cb 0.75 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2rkd h THR 291 CO 0.16 0.14 0.48 0.78 0.37 0.00 0.00 175.52 177.46 2rkd h ASN 292 N 0.78 0.81 -0.19 4.18 4.21 -1.85 -1.97 115.58 121.55 2rkd h ASN 292 Ca 0.35 -0.01 -0.19 0.00 1.21 0.00 0.00 56.30 57.65 2rkd h ASN 292 Cb 0.34 -0.19 0.01 0.00 -1.12 0.00 0.00 38.32 37.36 2rkd h ASN 292 CO -0.13 0.57 -0.64 0.25 -1.29 0.00 0.00 177.43 176.19 2rkd h LEU 293 N 0.96 0.89 -1.40 1.61 5.85 -0.51 -1.89 115.31 120.82 2rkd h LEU 293 Ca 0.29 -0.60 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 2rkd h LEU 293 Cb -0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2rkd h LEU 293 CO -0.09 1.33 -0.10 0.00 -0.34 0.00 0.00 178.44 179.24 2rkd h ALA 294 N 0.58 1.51 -0.21 1.25 0.00 -1.21 -2.91 119.26 118.27 2rkd h ALA 294 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2rkd h ALA 294 Cb 1.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2rkd h ALA 294 CO 0.14 0.35 -0.00 -1.33 0.00 0.00 0.00 179.25 178.41 2rkd n MET 295 N -4.29 2.58 -1.64 0.00 2.81 -0.75 -3.99 117.12 111.84 2rkd n MET 295 Ca -0.00 -2.80 -0.45 0.00 -1.81 0.00 0.00 57.70 52.64 2rkd n MET 295 Cb 0.26 -1.78 -0.02 0.00 -0.71 0.00 0.00 33.22 30.97 2rkd n MET 295 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 2rkd n MET 296 N -0.71 1.70 -3.25 0.03 0.00 -0.71 -4.59 117.12 109.59 2rkd n MET 296 Ca 0.21 0.60 -0.45 0.00 0.00 0.00 0.00 57.70 58.06 2rkd n MET 296 Cb 0.85 -2.12 -0.06 0.00 0.00 0.00 0.00 33.22 31.89 2rkd n MET 296 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2rkd s ASN 297 N -0.20 6.18 0.35 6.12 3.04 -1.26 -4.65 114.94 124.52 2rkd s ASN 297 Ca 0.62 -1.39 -0.28 0.00 0.04 0.00 0.00 52.86 51.86 2rkd s ASN 297 Cb -0.67 -2.24 -0.09 0.00 -1.54 0.00 0.00 41.25 36.70 2rkd s ASN 297 CO 0.57 -0.87 1.23 -2.16 -3.04 0.00 0.00 177.10 172.82 2rkd s PRO 298 N 2.10 4.30 0.16 0.43 0.04 -1.26 -4.27 135.00 136.50 2rkd s PRO 298 Ca 0.08 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.30 2rkd s PRO 298 Cb -0.25 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2rkd s PRO 298 CO 0.07 -0.17 1.11 1.79 0.04 0.00 0.00 177.00 179.84 2rkd h THR 299 N 2.80 0.65 -2.97 1.26 1.35 -1.89 -3.46 112.91 110.64 2rkd h THR 299 Ca -0.48 -2.06 -0.54 0.00 -0.55 0.00 0.00 66.41 62.77 2rkd h THR 299 Cb 1.23 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 2rkd h THR 299 CO 0.65 0.37 0.78 -0.76 -0.25 0.00 0.00 175.52 176.31 2rkd s LEU 300 N -6.07 4.31 0.32 3.87 1.43 -1.26 -4.96 118.68 116.32 2rkd s LEU 300 Ca 0.00 2.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 2rkd s LEU 300 Cb 0.08 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.62 2rkd s LEU 300 CO 0.78 -0.67 1.47 -2.65 0.23 0.00 0.00 176.35 175.52 2rkd n PRO 301 N 5.22 2.48 -0.09 1.29 -0.02 -1.26 -2.55 135.00 140.06 2rkd n PRO 301 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2rkd n PRO 301 Cb 0.44 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2rkd n PRO 301 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rkd n GLY 302 N 1.36 1.88 3.88 -1.23 0.00 -1.26 -4.82 105.19 105.00 2rkd n GLY 302 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2rkd n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rkd s TRP 303 N -2.77 3.51 -0.01 1.61 0.52 -1.06 -2.89 118.94 117.85 2rkd s TRP 303 Ca 0.00 0.76 0.03 0.00 0.02 0.00 0.00 56.10 56.91 2rkd s TRP 303 Cb 0.00 -2.15 -0.00 0.00 -1.15 0.00 0.00 33.47 30.16 2rkd s TRP 303 CO 0.00 0.42 -0.09 0.21 0.02 0.00 0.00 176.95 177.52 2rkd s LYS 304 N -2.36 0.76 -0.06 4.98 2.20 -0.43 -4.84 119.74 119.98 2rkd s LYS 304 Ca 0.39 -0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2rkd s LYS 304 Cb -0.13 -0.73 0.00 0.00 -1.51 0.00 0.00 37.83 35.46 2rkd s LYS 304 CO 0.21 0.17 -0.18 0.08 -0.36 0.00 0.00 175.35 175.26 2rkd s VAL 305 N -0.09 1.55 -0.00 4.02 1.01 -1.26 -1.00 120.40 124.63 2rkd s VAL 305 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2rkd s VAL 305 Cb -0.05 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2rkd s VAL 305 CO -0.00 0.45 -0.10 -1.61 0.00 0.00 0.00 175.10 173.84 2rkd s GLU 306 N 0.27 0.76 -0.15 2.72 2.02 0.27 -4.91 118.70 119.67 2rkd s GLU 306 Ca -0.11 -0.39 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 2rkd s GLU 306 Cb -0.15 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 2rkd s GLU 306 CO 0.04 0.19 0.45 0.00 0.02 0.00 0.00 175.26 175.97 2rkd n VAL 308 N 3.93 1.55 -3.56 0.00 0.31 -0.32 0.58 118.33 120.82 2rkd n VAL 308 Ca -0.07 -0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 2rkd n VAL 308 Cb 0.51 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 2rkd n VAL 308 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2rkd s GLY 309 N -5.49 -0.43 0.00 2.92 0.00 -0.86 -4.74 107.32 98.72 2rkd s GLY 309 Ca -0.34 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.60 2rkd s GLY 309 CO 0.56 0.01 0.91 2.09 0.00 0.00 0.00 173.10 176.67 2rkd n ASP 310 N -0.37 1.87 0.02 1.64 5.75 -1.26 -0.95 116.55 123.26 2rkd n ASP 310 Ca -0.14 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2rkd n ASP 310 Cb 0.64 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2rkd n ASP 310 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2rkd n ASP 311 N -0.24 -0.13 -4.21 -1.12 2.03 -1.25 -4.48 116.55 107.14 2rkd n ASP 311 Ca 0.01 0.08 -0.27 0.00 0.52 0.00 0.00 54.79 55.13 2rkd n ASP 311 Cb 0.21 0.24 -0.16 0.00 -0.72 0.00 0.00 41.12 40.69 2rkd n ASP 311 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2rkd s ILE 312 N -2.00 1.62 -0.07 5.18 -1.09 -1.00 -1.15 121.20 122.69 2rkd s ILE 312 Ca 0.00 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 2rkd s ILE 312 Cb 0.00 -1.35 0.01 0.00 -1.58 0.00 0.00 42.46 39.54 2rkd s ILE 312 CO 0.00 0.46 -0.13 0.00 -1.23 0.00 0.00 174.94 174.04 2rkd s ALA 313 N -0.43 1.33 -0.22 9.38 0.00 -0.39 -4.26 121.76 127.17 2rkd s ALA 313 Ca 0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 2rkd s ALA 313 Cb -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2rkd s ALA 313 CO -0.00 0.10 -0.00 -1.58 0.00 0.00 0.00 175.76 174.28 2rkd s TRP 314 N 0.69 3.01 -0.03 0.00 0.52 -0.37 -0.76 118.94 122.01 2rkd s TRP 314 Ca -0.14 -0.63 0.02 0.00 0.02 0.00 0.00 56.10 55.37 2rkd s TRP 314 Cb -0.16 -2.12 0.00 0.00 -1.15 0.00 0.00 33.47 30.04 2rkd s TRP 314 CO 0.04 -0.38 -0.09 -1.64 0.02 0.00 0.00 176.95 174.89 2rkd s MET 315 N 1.32 0.99 -0.11 4.98 -1.94 0.72 -1.17 119.30 124.09 2rkd s MET 315 Ca 0.04 -0.30 -0.07 0.00 -1.71 0.00 0.00 55.69 53.65 2rkd s MET 315 Cb -0.15 -0.92 0.04 0.00 2.01 0.00 0.00 34.83 35.81 2rkd s MET 315 CO 0.00 0.10 0.26 0.21 -0.01 0.00 0.00 175.02 175.59 2rkd s LYS 316 N 0.24 0.25 0.21 2.03 2.20 0.01 0.06 119.74 124.74 2rkd s LYS 316 Ca -0.04 0.50 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 2rkd s LYS 316 Cb -0.09 -0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.10 2rkd s LYS 316 CO 0.01 -0.12 1.47 -0.06 -0.36 0.00 0.00 175.35 176.28 2rkd s PHE 317 N 0.93 3.06 0.64 4.03 0.08 -1.26 -1.01 117.98 124.46 2rkd s PHE 317 Ca -0.07 0.91 -0.05 0.00 0.12 0.00 0.00 56.93 57.85 2rkd s PHE 317 Cb -0.08 -3.83 0.14 0.00 -0.57 0.00 0.00 43.02 38.68 2rkd s PHE 317 CO -0.06 -2.82 0.88 -0.40 -0.10 0.00 0.00 175.22 172.71 2rkd n ASP 318 N 2.96 0.69 0.28 1.36 5.68 0.51 -4.91 116.55 123.11 2rkd n ASP 318 Ca 0.09 -1.69 0.14 0.00 -0.50 0.00 0.00 54.79 52.83 2rkd n ASP 318 Cb 0.40 -0.61 0.82 0.00 -1.14 0.00 0.00 41.12 40.59 2rkd n ASP 318 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rkd h ALA 319 N -1.05 1.40 -0.01 2.12 0.00 -1.96 -1.06 119.26 118.71 2rkd h ALA 319 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2rkd h ALA 319 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2rkd h ALA 319 CO 0.26 0.08 -0.14 1.04 0.00 0.00 0.00 179.25 180.48 2rkd n GLN 320 N -3.75 1.08 -0.52 0.00 1.13 -1.26 -4.94 117.38 109.12 2rkd n GLN 320 Ca -0.02 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.45 2rkd n GLN 320 Cb 0.16 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2rkd n GLN 320 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rkd n GLY 321 N 1.27 0.74 3.75 1.08 0.00 -0.40 -4.85 105.19 106.79 2rkd n GLY 321 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2rkd n GLY 321 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rkd s ASN 322 N -2.23 7.61 -0.68 1.61 0.01 -1.26 -0.13 114.94 119.88 2rkd s ASN 322 Ca 0.00 1.91 -0.23 0.00 -0.71 0.00 0.00 52.86 53.83 2rkd s ASN 322 Cb 0.00 -2.60 0.07 0.00 0.41 0.00 0.00 41.25 39.13 2rkd s ASN 322 CO 0.00 0.16 1.01 -0.22 -1.51 0.00 0.00 177.10 176.54 2rkd s LEU 323 N -1.15 4.25 -0.09 0.60 2.96 -1.26 -0.37 118.68 123.62 2rkd s LEU 323 Ca 0.40 -0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 53.15 2rkd s LEU 323 Cb -0.26 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2rkd s LEU 323 CO 0.31 -1.48 0.57 -0.13 -1.32 0.00 0.00 176.35 174.30 2rkd s ARG 324 N 4.24 4.37 -0.04 1.98 1.81 -0.18 -0.52 118.95 130.61 2rkd s ARG 324 Ca 0.24 0.63 0.06 0.00 -1.72 0.00 0.00 55.73 54.94 2rkd s ARG 324 Cb -0.15 -3.43 -0.01 0.00 -0.45 0.00 0.00 34.95 30.90 2rkd s ARG 324 CO 0.10 0.14 -0.21 0.00 -0.68 0.00 0.00 175.30 174.65 2rkd s ALA 325 N 0.61 1.83 0.16 2.13 0.00 0.32 -0.81 121.76 126.00 2rkd s ALA 325 Ca 0.31 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.47 2rkd s ALA 325 Cb -0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2rkd s ALA 325 CO 0.14 0.39 -0.22 0.96 0.00 0.00 0.00 175.76 177.03 2rkd s ILE 326 N -0.26 2.55 -0.35 0.00 -4.36 -0.32 -0.69 121.20 117.77 2rkd s ILE 326 Ca 0.02 -1.78 -0.25 0.00 -0.26 0.00 0.00 60.65 58.38 2rkd s ILE 326 Cb -0.11 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.42 2rkd s ILE 326 CO 0.01 -0.01 0.86 0.21 0.24 0.00 0.00 174.94 176.26 2rkd s ASN 327 N -2.40 6.65 0.00 4.36 2.47 -1.26 -1.23 114.94 123.53 2rkd s ASN 327 Ca 0.19 0.55 0.24 0.00 0.42 0.00 0.00 52.86 54.26 2rkd s ASN 327 Cb -0.09 -2.44 1.21 0.00 -1.45 0.00 0.00 41.25 38.48 2rkd s ASN 327 CO 0.10 -0.77 1.80 -0.81 -3.72 0.00 0.00 177.10 173.70 2rkd n PRO 328 N 6.55 0.33 -3.03 0.43 -0.04 -1.26 -4.43 135.00 133.56 2rkd n PRO 328 Ca 0.05 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2rkd n PRO 328 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2rkd n PRO 328 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2rkd s GLU 329 N -2.59 2.87 0.00 0.54 2.02 -1.26 -0.67 118.70 119.61 2rkd s GLU 329 Ca 0.22 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2rkd s GLU 329 Cb 0.16 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2rkd s GLU 329 CO 0.37 -0.30 0.41 -1.71 0.02 0.00 0.00 175.26 174.05 2rkd n ASN 330 N -1.97 0.82 -2.50 -0.19 4.05 0.21 -4.77 115.26 110.90 2rkd n ASN 330 Ca 0.05 -0.91 -0.08 0.00 0.45 0.00 0.00 54.58 54.08 2rkd n ASN 330 Cb 0.59 0.17 0.02 0.00 1.23 0.00 0.00 39.78 41.78 2rkd n ASN 330 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2rkd n GLY 331 N 0.17 1.30 3.32 8.20 0.00 -1.07 -1.99 105.19 115.11 2rkd n GLY 331 Ca 0.00 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 2rkd n GLY 331 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rkd s PHE 332 N -3.33 2.72 -0.78 1.61 0.08 0.40 -4.77 117.98 113.91 2rkd s PHE 332 Ca 0.15 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2rkd s PHE 332 Cb -0.04 -1.79 0.21 0.00 -0.57 0.00 0.00 43.02 40.83 2rkd s PHE 332 CO 0.11 -0.27 0.68 0.34 -0.10 0.00 0.00 175.22 175.98 2rkd n PHE 333 N 3.49 3.63 -3.93 0.36 7.35 -1.26 -1.44 117.46 125.67 2rkd n PHE 333 Ca -0.18 -4.16 -0.30 0.00 -0.76 0.00 0.00 57.45 52.05 2rkd n PHE 333 Cb 0.53 -0.82 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 2rkd n PHE 333 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2rkd s GLY 334 N -1.19 2.09 0.01 7.13 0.00 -0.72 -4.90 107.32 109.72 2rkd s GLY 334 Ca 0.29 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 2rkd s GLY 334 CO -0.12 -0.87 1.56 0.14 0.00 0.00 0.00 173.10 173.82 2rkd s VAL 335 N -1.56 3.43 -0.05 1.40 1.01 -1.26 -1.43 120.40 121.94 2rkd s VAL 335 Ca 0.35 0.77 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 2rkd s VAL 335 Cb -0.13 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 2rkd s VAL 335 CO 0.28 -0.02 0.88 0.00 0.00 0.00 0.00 175.10 176.24 2rkd h ALA 336 N 8.49 -0.22 -2.77 5.51 0.00 -1.18 -3.43 119.26 125.66 2rkd h ALA 336 Ca -0.40 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 53.75 2rkd h ALA 336 Cb 1.19 0.09 0.09 0.00 0.00 0.00 0.00 17.79 19.15 2rkd h ALA 336 CO 0.93 -0.31 0.85 -2.30 0.00 0.00 0.00 179.25 178.42 2rkd n PRO 337 N -4.93 2.66 -0.09 0.00 -0.02 -1.26 -1.55 135.00 129.81 2rkd n PRO 337 Ca -0.08 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2rkd n PRO 337 Cb 0.26 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 2rkd n PRO 337 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rkd n GLY 338 N 1.92 0.75 3.58 -1.23 0.00 0.08 -4.99 105.19 105.29 2rkd n GLY 338 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2rkd n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkd s THR 339 N -2.36 4.38 0.37 2.61 2.01 -0.60 -4.80 115.64 117.26 2rkd s THR 339 Ca 0.00 0.92 0.05 0.00 0.31 0.00 0.00 61.69 62.97 2rkd s THR 339 Cb 0.00 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2rkd s THR 339 CO 0.00 -0.89 0.17 -0.94 -0.69 0.00 0.00 174.62 172.27 2rkd s SER 340 N 2.33 2.31 0.32 3.53 1.04 -1.26 -4.33 113.70 117.64 2rkd s SER 340 Ca 0.41 -1.69 0.04 0.00 0.48 0.00 0.00 55.95 55.19 2rkd s SER 340 Cb -0.09 0.51 0.54 0.00 0.10 0.00 0.00 66.02 67.08 2rkd s SER 340 CO 0.28 -0.97 1.82 -0.37 0.98 0.00 0.00 173.24 174.99 2rkd h VAL 341 N 1.94 1.22 -0.08 5.02 -1.51 -1.84 -0.36 116.25 120.63 2rkd h VAL 341 Ca -0.32 -0.94 -0.23 0.00 -1.23 0.00 0.00 66.70 63.97 2rkd h VAL 341 Cb 1.26 1.08 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2rkd h VAL 341 CO 0.50 0.31 -0.87 0.11 -1.23 0.00 0.00 177.57 176.39 2rkd h LYS 342 N 0.48 0.68 0.14 5.19 1.57 -1.93 -3.22 116.57 119.48 2rkd h LYS 342 Ca 0.09 -0.62 -0.33 0.00 -1.87 0.00 0.00 60.65 57.92 2rkd h LYS 342 Cb 0.44 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2rkd h LYS 342 CO 0.02 1.23 -1.68 1.79 -0.57 0.00 0.00 179.45 180.24 2rkd h THR 343 N 0.43 0.99 -0.76 -0.16 1.35 -1.85 -3.44 112.91 109.48 2rkd h THR 343 Ca -0.08 -2.62 -0.26 0.00 -0.55 0.00 0.00 66.41 62.90 2rkd h THR 343 Cb 1.50 2.72 -0.19 0.00 -1.73 0.00 0.00 68.15 70.45 2rkd h THR 343 CO 0.17 0.83 -0.59 -3.20 -0.25 0.00 0.00 175.52 172.47 2rkd n ASN 344 N -3.49 -2.60 0.13 5.36 2.85 -0.15 -4.80 115.26 112.55 2rkd n ASN 344 Ca -0.22 -3.03 0.04 0.00 -0.11 0.00 0.00 54.58 51.26 2rkd n ASN 344 Cb 1.06 1.36 0.45 0.00 1.24 0.00 0.00 39.78 43.89 2rkd n ASN 344 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2rkd h PRO 345 N 4.49 0.24 -0.07 1.20 0.13 -1.61 -2.44 132.00 133.94 2rkd h PRO 345 Ca -0.02 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 2rkd h PRO 345 Cb 1.03 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 2rkd h PRO 345 CO 0.23 0.29 -0.54 -0.91 -0.23 0.00 0.00 178.00 176.84 2rkd h ASN 346 N 0.24 0.21 -0.60 1.44 2.35 -1.91 -2.54 115.58 114.76 2rkd h ASN 346 Ca 0.06 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 2rkd h ASN 346 Cb 0.21 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2rkd h ASN 346 CO 0.01 0.71 -0.01 0.00 -1.65 0.00 0.00 177.43 176.49 2rkd h ALA 347 N 1.29 0.81 -0.26 -0.83 0.00 -1.78 -2.45 119.26 116.03 2rkd h ALA 347 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2rkd h ALA 347 Cb 1.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2rkd h ALA 347 CO 0.08 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.82 2rkd h ILE 348 N 0.97 0.82 -0.32 0.00 1.08 -1.23 -2.18 117.51 116.65 2rkd h ILE 348 Ca 0.17 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 2rkd h ILE 348 Cb 0.58 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2rkd h ILE 348 CO 0.03 0.02 0.15 0.11 -0.69 0.00 0.00 178.15 177.77 2rkd h LYS 349 N 0.09 0.43 -0.22 2.37 6.56 -1.39 -3.16 116.57 121.25 2rkd h LYS 349 Ca 0.12 -0.04 -0.13 0.00 -1.06 0.00 0.00 60.65 59.54 2rkd h LYS 349 Cb 0.16 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2rkd h LYS 349 CO -0.20 0.34 -0.38 1.15 -2.06 0.00 0.00 179.45 178.30 2rkd h THR 350 N 0.44 1.32 -0.19 -0.16 2.02 -0.92 -3.33 112.91 112.10 2rkd h THR 350 Ca 0.11 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2rkd h THR 350 Cb 0.05 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2rkd h THR 350 CO -0.02 0.50 0.00 2.30 0.37 0.00 0.00 175.52 178.67 2rkd n ILE 351 N -4.25 0.24 0.46 3.11 -5.35 -0.90 -3.94 119.36 108.74 2rkd n ILE 351 Ca -0.05 -0.30 0.12 0.00 -0.27 0.00 0.00 62.75 62.24 2rkd n ILE 351 Cb 0.52 0.20 0.47 0.00 -1.74 0.00 0.00 39.64 39.09 2rkd n ILE 351 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rkd n GLN 352 N 0.15 0.19 -3.79 6.28 1.13 -1.24 -4.65 117.38 115.44 2rkd n GLN 352 Ca 0.13 0.36 -0.13 0.00 -1.94 0.00 0.00 57.00 55.43 2rkd n GLN 352 Cb 0.25 -1.82 -0.11 0.00 0.11 0.00 0.00 30.24 28.66 2rkd n GLN 352 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2rkd s LYS 353 N -3.25 0.33 -1.64 -1.09 2.20 -1.25 -3.24 119.74 111.80 2rkd s LYS 353 Ca 0.06 0.24 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 2rkd s LYS 353 Cb 0.10 0.16 0.13 0.00 -1.51 0.00 0.00 37.83 36.71 2rkd s LYS 353 CO 0.42 -0.05 0.82 0.09 -0.36 0.00 0.00 175.35 176.27 2rkd n ASN 354 N 2.71 -3.50 -4.27 1.43 3.02 -0.24 -4.84 115.26 109.56 2rkd n ASN 354 Ca -0.14 -0.95 -0.31 0.00 -0.03 0.00 0.00 54.58 53.15 2rkd n ASN 354 Cb 0.58 -3.08 -0.16 0.00 -0.61 0.00 0.00 39.78 36.51 2rkd n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rkd s THR 355 N -3.34 2.02 -0.24 3.41 2.01 -1.18 -4.48 115.64 113.84 2rkd s THR 355 Ca 0.67 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 2rkd s THR 355 Cb -0.36 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 2rkd s THR 355 CO 0.90 0.56 0.15 -0.63 -0.69 0.00 0.00 174.62 174.91 2rkd s ILE 356 N -0.31 5.21 -0.06 1.82 1.01 -0.63 -1.18 121.20 127.06 2rkd s ILE 356 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 2rkd s ILE 356 Cb -0.12 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2rkd s ILE 356 CO 0.02 0.34 0.05 -0.36 0.00 0.00 0.00 174.94 175.00 2rkd s PHE 357 N 1.13 3.27 -0.09 3.97 0.08 0.10 0.00 117.98 126.44 2rkd s PHE 357 Ca 0.07 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.37 2rkd s PHE 357 Cb -0.14 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 2rkd s PHE 357 CO 0.05 0.54 -0.10 0.99 -0.10 0.00 0.00 175.22 176.60 2rkd s THR 358 N -1.03 1.10 -1.54 0.64 2.01 0.01 -1.15 115.64 115.69 2rkd s THR 358 Ca 0.17 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2rkd s THR 358 Cb -0.12 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.33 2rkd s THR 358 CO 0.07 0.37 0.00 0.59 -0.69 0.00 0.00 174.62 174.96 2rkd n ASN 359 N 4.39 -5.21 -4.99 3.53 3.02 0.07 -0.84 115.26 115.23 2rkd n ASN 359 Ca -0.18 -0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 2rkd n ASN 359 Cb 0.51 -4.29 0.01 0.00 -0.61 0.00 0.00 39.78 35.40 2rkd n ASN 359 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2rkd s VAL 360 N -2.89 3.47 0.51 2.41 -7.23 -1.26 -1.73 120.40 113.68 2rkd s VAL 360 Ca 0.00 -0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 59.09 2rkd s VAL 360 Cb 0.00 -3.20 -0.08 0.00 0.56 0.00 0.00 36.38 33.66 2rkd s VAL 360 CO 0.00 -0.09 1.00 0.00 -0.31 0.00 0.00 175.10 175.70 2rkd s ALA 361 N -2.36 2.95 -0.12 1.32 0.00 -0.32 -4.00 121.76 119.23 2rkd s ALA 361 Ca 0.51 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2rkd s ALA 361 Cb -0.10 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2rkd s ALA 361 CO 0.34 -0.31 -0.18 -2.00 0.00 0.00 0.00 175.76 173.61 2rkd s GLU 362 N -3.72 3.23 0.48 0.00 2.12 0.12 -1.06 118.70 119.87 2rkd s GLU 362 Ca 0.62 -0.77 -0.10 0.00 0.36 0.00 0.00 54.97 55.08 2rkd s GLU 362 Cb -0.12 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 2rkd s GLU 362 CO 0.27 0.20 0.85 0.95 -0.54 0.00 0.00 175.26 176.99 2rkd s THR 363 N 0.34 4.77 0.09 -1.70 -4.23 -0.39 0.14 115.64 114.65 2rkd s THR 363 Ca -0.14 0.63 0.31 0.00 -1.18 0.00 0.00 61.69 61.31 2rkd s THR 363 Cb -0.17 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.20 2rkd s THR 363 CO 0.07 -0.76 1.95 0.77 -0.54 0.00 0.00 174.62 176.12 2rkd h SER 364 N 0.62 0.00 -0.59 3.99 4.64 -1.38 0.42 113.55 121.25 2rkd h SER 364 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2rkd h SER 364 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2rkd h SER 364 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 2rkd n ASP 365 N -2.65 3.64 0.00 4.97 5.75 -1.26 -4.94 116.55 122.07 2rkd n ASP 365 Ca -0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 2rkd n ASP 365 Cb 0.12 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2rkd n ASP 365 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rkd n GLY 366 N 1.28 0.60 3.72 6.12 0.00 0.14 -3.74 105.19 113.31 2rkd n GLY 366 Ca 0.21 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 2rkd n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkd n GLY 367 N -1.35 2.29 3.71 -0.02 0.00 -1.23 -2.05 105.19 106.55 2rkd n GLY 367 Ca 0.00 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.47 2rkd n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rkd s VAL 368 N -2.54 4.14 -0.00 1.61 -7.23 -1.26 -1.27 120.40 113.86 2rkd s VAL 368 Ca 0.47 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 2rkd s VAL 368 Cb -0.04 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2rkd s VAL 368 CO 0.30 0.10 0.16 -0.47 -0.31 0.00 0.00 175.10 174.87 2rkd s TYR 369 N -1.37 0.01 0.09 2.82 5.04 -0.22 -4.81 117.35 118.91 2rkd s TYR 369 Ca 0.27 -0.08 -0.25 0.00 -2.44 0.00 0.00 57.07 54.57 2rkd s TYR 369 Cb -0.12 -0.03 0.07 0.00 0.35 0.00 0.00 41.96 42.24 2rkd s TYR 369 CO 0.19 -0.29 0.66 1.67 -1.34 0.00 0.00 175.55 176.44 2rkd s TRP 370 N -1.35 -0.54 0.03 4.97 -2.14 -1.26 -1.17 118.94 117.48 2rkd s TRP 370 Ca -0.14 0.49 -0.35 0.00 2.66 0.00 0.00 56.10 58.76 2rkd s TRP 370 Cb -0.07 0.52 -0.14 0.00 -3.10 0.00 0.00 33.47 30.68 2rkd s TRP 370 CO 0.02 -0.76 1.61 0.39 -2.66 0.00 0.00 176.95 175.55 2rkd n GLU 371 N -0.07 1.78 -0.71 3.25 4.71 -1.26 -2.19 120.64 126.15 2rkd n GLU 371 Ca -0.16 0.65 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 2rkd n GLU 371 Cb 0.63 -2.39 0.00 0.00 -1.01 0.00 0.00 31.44 28.67 2rkd n GLU 371 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rkd n GLY 372 N 3.51 0.62 0.27 0.62 0.00 -1.26 -0.74 105.19 108.22 2rkd n GLY 372 Ca 0.20 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.20 2rkd n GLY 372 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2rkd h ILE 373 N 0.00 0.24 -4.17 -0.61 2.10 -1.63 -3.37 117.51 110.07 2rkd h ILE 373 Ca 0.00 -0.56 -0.34 0.00 1.08 0.00 0.00 64.86 65.04 2rkd h ILE 373 Cb 0.00 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 2rkd h ILE 373 CO 0.00 0.07 -0.48 0.47 -1.08 0.00 0.00 178.15 177.13 2rkd n ASP 374 N -3.28 -4.77 -3.72 2.19 8.00 -1.26 -4.36 116.55 109.34 2rkd n ASP 374 Ca -0.01 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 2rkd n ASP 374 Cb 0.28 -3.96 -0.15 0.00 -0.02 0.00 0.00 41.12 37.27 2rkd n ASP 374 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2rkd s GLU 375 N -5.40 0.04 0.85 -1.24 -1.05 -1.26 -4.84 118.70 105.79 2rkd s GLU 375 Ca 0.16 0.39 -0.11 0.00 -0.15 0.00 0.00 54.97 55.26 2rkd s GLU 375 Cb -0.08 -0.24 0.10 0.00 -0.44 0.00 0.00 34.13 33.48 2rkd s GLU 375 CO 0.19 -0.22 1.13 -1.25 0.95 0.00 0.00 175.26 176.06 2rkd s PRO 376 N 1.53 1.59 -0.04 -4.83 0.04 -1.26 -5.05 135.00 126.98 2rkd s PRO 376 Ca -0.05 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 2rkd s PRO 376 Cb -0.12 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2rkd s PRO 376 CO -0.05 -2.18 0.04 -0.51 0.04 0.00 0.00 177.00 174.33 2rkd s LEU 377 N -6.24 3.72 0.39 -3.56 1.43 -1.26 -5.09 118.68 108.07 2rkd s LEU 377 Ca 0.65 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2rkd s LEU 377 Cb -0.21 -2.04 -0.11 0.00 0.03 0.00 0.00 46.19 43.86 2rkd s LEU 377 CO 0.56 0.32 1.35 0.00 0.23 0.00 0.00 176.35 178.81 2rkd n ALA 378 N 1.60 1.67 -1.67 4.21 0.00 -1.26 -4.87 120.51 120.18 2rkd n ALA 378 Ca -0.16 0.32 -0.46 0.00 0.00 0.00 0.00 53.44 53.14 2rkd n ALA 378 Cb 0.53 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 2rkd n ALA 378 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rkd n PRO 379 N 0.30 2.19 0.00 0.00 -0.04 -1.26 -1.49 135.00 134.69 2rkd n PRO 379 Ca 0.04 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2rkd n PRO 379 Cb 0.38 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2rkd n PRO 379 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rkd n GLY 380 N 3.62 2.04 3.65 0.55 0.00 -1.26 -5.07 105.19 108.72 2rkd n GLY 380 Ca 0.18 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2rkd n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rkd s VAL 381 N -0.88 3.82 0.39 1.61 1.01 -0.56 -5.00 120.40 120.80 2rkd s VAL 381 Ca 0.00 0.97 0.08 0.00 0.00 0.00 0.00 61.98 63.03 2rkd s VAL 381 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2rkd s VAL 381 CO 0.00 -0.18 0.42 0.42 0.00 0.00 0.00 175.10 175.77 2rkd s THR 382 N 4.30 3.07 -0.04 3.92 -4.23 -1.26 -4.90 115.64 116.49 2rkd s THR 382 Ca 0.67 -1.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.03 2rkd s THR 382 Cb -0.27 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.48 2rkd s THR 382 CO 0.25 -0.05 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.40 2rkd s ILE 383 N -2.38 2.01 -0.22 2.99 1.01 -1.26 -0.95 121.20 122.42 2rkd s ILE 383 Ca 0.48 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2rkd s ILE 383 Cb -0.06 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2rkd s ILE 383 CO 0.29 0.56 0.02 -0.89 0.00 0.00 0.00 174.94 174.93 2rkd s THR 384 N -0.33 4.03 1.15 2.92 2.01 0.12 -1.11 115.64 124.43 2rkd s THR 384 Ca 0.02 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.57 2rkd s THR 384 Cb -0.12 -2.84 0.26 0.00 0.01 0.00 0.00 72.50 69.81 2rkd s THR 384 CO 0.02 0.40 1.10 -0.94 -0.69 0.00 0.00 174.62 174.51 2rkd s SER 385 N 1.21 1.36 0.03 3.53 1.04 -0.16 0.14 113.70 120.84 2rkd s SER 385 Ca 0.04 0.82 0.14 0.00 0.48 0.00 0.00 55.95 57.43 2rkd s SER 385 Cb -0.14 -1.22 0.60 0.00 0.10 0.00 0.00 66.02 65.36 2rkd s SER 385 CO 0.02 -3.87 1.44 -2.67 0.98 0.00 0.00 173.24 169.14 2rkd n TRP 386 N -4.62 0.08 -0.32 5.02 4.27 0.04 -2.07 117.44 119.84 2rkd n TRP 386 Ca 0.10 0.03 0.11 0.00 -3.89 0.00 0.00 57.50 53.85 2rkd n TRP 386 Cb 0.59 -0.55 0.32 0.00 -1.36 0.00 0.00 31.31 30.31 2rkd n TRP 386 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2rkd n LYS 387 N -1.57 2.90 -3.60 -2.67 5.02 -1.26 -4.71 118.16 112.26 2rkd n LYS 387 Ca 0.03 -2.60 -0.22 0.00 -2.02 0.00 0.00 58.31 53.50 2rkd n LYS 387 Cb 0.16 -1.64 0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2rkd n LYS 387 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2rkd n ASN 388 N 1.44 -3.83 -4.11 4.39 4.05 -0.88 -5.03 115.26 111.29 2rkd n ASN 388 Ca 0.24 -0.65 -0.14 0.00 0.45 0.00 0.00 54.58 54.48 2rkd n ASN 388 Cb 0.67 -4.75 -0.11 0.00 1.23 0.00 0.00 39.78 36.81 2rkd n ASN 388 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2rkd s LYS 389 N -5.97 0.66 0.33 1.20 1.02 -1.26 -4.95 119.74 110.76 2rkd s LYS 389 Ca 0.30 -0.91 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2rkd s LYS 389 Cb -0.14 -0.41 -0.11 0.00 -0.52 0.00 0.00 37.83 36.65 2rkd s LYS 389 CO 0.76 0.07 1.56 -2.00 -0.92 0.00 0.00 175.35 174.82 2rkd s GLU 390 N -2.02 4.11 0.09 1.68 2.56 -1.26 -0.99 118.70 122.87 2rkd s GLU 390 Ca -0.04 2.58 0.08 0.00 0.00 0.00 0.00 54.97 57.59 2rkd s GLU 390 Cb -0.07 -3.00 -0.03 0.00 2.00 0.00 0.00 34.13 33.02 2rkd s GLU 390 CO 0.00 -0.60 -0.21 -0.46 -0.56 0.00 0.00 175.26 173.43 2rkd s TRP 391 N -0.42 1.78 -0.02 5.30 -0.00 -0.27 -4.81 118.94 120.50 2rkd s TRP 391 Ca 0.59 -0.41 0.01 0.00 -0.00 0.00 0.00 56.10 56.29 2rkd s TRP 391 Cb -0.47 -0.99 0.02 0.00 -0.00 0.00 0.00 33.47 32.02 2rkd s TRP 391 CO 0.54 0.18 -0.01 -0.98 -0.00 0.00 0.00 176.95 176.68 2rkd s ARG 392 N -1.78 0.33 0.63 5.86 1.70 -1.26 -4.23 118.95 120.19 2rkd s ARG 392 Ca 0.06 -0.01 0.24 0.00 -0.47 0.00 0.00 55.73 55.56 2rkd s ARG 392 Cb -0.10 -0.42 1.21 0.00 -0.57 0.00 0.00 34.95 35.06 2rkd s ARG 392 CO 0.04 -0.06 1.66 -1.35 -1.08 0.00 0.00 175.30 174.51 2rkd h PRO 393 N 6.82 0.00 0.00 3.89 0.11 -2.01 0.49 132.00 141.30 2rkd h PRO 393 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2rkd h PRO 393 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2rkd h PRO 393 CO 0.49 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.15 2rkd n GLN 394 N -3.20 0.15 -1.79 1.05 10.64 -1.26 -4.93 117.38 118.04 2rkd n GLN 394 Ca 0.07 0.10 -0.35 0.00 -1.83 0.00 0.00 57.00 54.99 2rkd n GLN 394 Cb 0.79 -1.65 0.05 0.00 -0.86 0.00 0.00 30.24 28.57 2rkd n GLN 394 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2rkd s ASP 395 N -3.79 4.88 0.20 2.61 2.15 0.17 -4.96 116.67 117.93 2rkd s ASP 395 Ca 0.11 2.29 0.11 0.00 0.43 0.00 0.00 52.55 55.50 2rkd s ASP 395 Cb 0.15 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 40.12 2rkd s ASP 395 CO 0.60 -1.80 1.36 1.05 -0.17 0.00 0.00 175.17 176.21 2rkd h GLU 396 N 0.36 0.00 -6.05 4.34 9.09 -1.91 -3.46 114.58 116.95 2rkd h GLU 396 Ca -0.49 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.32 2rkd h GLU 396 Cb 1.28 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.34 2rkd h GLU 396 CO 0.53 0.73 -0.30 -1.21 0.05 0.00 0.00 179.01 178.81 2rkd s GLU 397 N -2.84 3.69 0.60 1.06 0.41 -1.26 -5.08 118.70 115.28 2rkd s GLU 397 Ca 0.03 0.08 -0.19 0.00 -0.41 0.00 0.00 54.97 54.47 2rkd s GLU 397 Cb 0.09 -3.01 -0.03 0.00 -1.78 0.00 0.00 34.13 29.39 2rkd s GLU 397 CO 0.78 0.58 1.23 -2.14 -0.49 0.00 0.00 175.26 175.22 2rkd s PRO 398 N -1.92 2.90 0.29 0.39 0.02 -1.26 -4.95 135.00 130.47 2rkd s PRO 398 Ca 0.32 1.89 0.16 0.00 0.02 0.00 0.00 61.00 63.40 2rkd s PRO 398 Cb -0.14 -1.93 0.09 0.00 0.02 0.00 0.00 34.50 32.55 2rkd s PRO 398 CO 0.18 -1.28 1.43 0.00 -0.33 0.00 0.00 177.00 176.99 2rkd s ALA 400 N -3.00 2.21 0.30 0.00 0.00 -1.26 -0.78 121.76 119.21 2rkd s ALA 400 Ca 0.04 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 2rkd s ALA 400 Cb 0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.69 2rkd s ALA 400 CO 0.74 0.50 1.39 -1.58 0.00 0.00 0.00 175.76 176.81 2rkd s HIS 401 N -0.95 2.98 0.56 0.00 2.46 -0.70 -4.85 115.29 114.78 2rkd s HIS 401 Ca 0.12 1.21 0.27 0.00 0.47 0.00 0.00 55.06 57.13 2rkd s HIS 401 Cb -0.10 -3.79 1.50 0.00 -0.13 0.00 0.00 32.58 30.06 2rkd s HIS 401 CO 0.04 -2.36 2.02 -1.35 -2.47 0.00 0.00 174.74 170.62 2rkd h PRO 402 N 4.06 0.00 -0.66 2.88 0.11 -1.97 0.14 132.00 136.56 2rkd h PRO 402 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2rkd h PRO 402 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2rkd h PRO 402 CO 0.71 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.79 2rkd n ASN 403 N -4.05 4.89 -4.69 -2.05 5.15 -1.26 -4.72 115.26 108.54 2rkd n ASN 403 Ca 0.06 -2.49 -0.33 0.00 -0.60 0.00 0.00 54.58 51.23 2rkd n ASN 403 Cb 0.50 -0.60 0.14 0.00 -0.53 0.00 0.00 39.78 39.29 2rkd n ASN 403 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2rkd s SER 404 N -0.88 3.43 0.05 1.20 1.04 0.50 -4.86 113.70 114.18 2rkd s SER 404 Ca 0.52 2.30 0.02 0.00 0.48 0.00 0.00 55.95 59.27 2rkd s SER 404 Cb 0.34 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 2rkd s SER 404 CO 0.24 -2.77 -0.07 -0.13 0.98 0.00 0.00 173.24 171.49 2rkd s ARG 405 N -4.31 0.58 0.03 4.02 1.81 -0.02 -0.63 118.95 120.43 2rkd s ARG 405 Ca 0.71 -0.88 0.05 0.00 -1.72 0.00 0.00 55.73 53.90 2rkd s ARG 405 Cb -0.26 -0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 33.96 2rkd s ARG 405 CO 0.53 0.03 -0.13 -0.59 -0.68 0.00 0.00 175.30 174.46 2rkd s PHE 406 N -1.90 2.71 -0.23 -0.53 -0.12 -0.51 -0.81 117.98 116.59 2rkd s PHE 406 Ca -0.06 -0.16 -0.00 0.00 -0.05 0.00 0.00 56.93 56.66 2rkd s PHE 406 Cb -0.06 -1.52 0.06 0.00 -0.63 0.00 0.00 43.02 40.87 2rkd s PHE 406 CO -0.01 0.32 -0.02 0.00 -0.05 0.00 0.00 175.22 175.46 2rkd s THR 408 N 1.52 0.36 0.20 0.00 -1.32 -0.52 -1.60 115.64 114.28 2rkd s THR 408 Ca -0.03 -0.49 -0.32 0.00 -1.21 0.00 0.00 61.69 59.64 2rkd s THR 408 Cb -0.18 -0.36 -0.12 0.00 -1.51 0.00 0.00 72.50 70.33 2rkd s THR 408 CO -0.08 -0.09 1.69 -2.84 -2.21 0.00 0.00 174.62 171.09 2rkd s PRO 409 N -0.62 4.14 0.32 7.08 0.02 -1.26 -0.45 135.00 144.22 2rkd s PRO 409 Ca -0.03 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 2rkd s PRO 409 Cb -0.05 -3.09 0.51 0.00 0.02 0.00 0.00 34.50 31.89 2rkd s PRO 409 CO -0.00 -0.72 1.96 0.00 -0.33 0.00 0.00 177.00 177.91 2rkd h ALA 410 N 6.78 1.43 0.00 -1.55 0.00 -1.69 -2.47 119.26 121.76 2rkd h ALA 410 Ca -0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2rkd h ALA 410 Cb 1.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2rkd h ALA 410 CO 0.95 0.50 0.03 0.66 0.00 0.00 0.00 179.25 181.38 2rkd h SER 411 N 0.96 0.00 0.72 0.00 4.64 -1.92 -1.45 113.55 116.50 2rkd h SER 411 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2rkd h SER 411 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2rkd h SER 411 CO -0.05 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 175.68 2rkd n GLN 412 N -2.74 0.06 -2.01 4.77 6.02 -0.93 -4.84 117.38 117.71 2rkd n GLN 412 Ca -0.02 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.52 2rkd n GLN 412 Cb 0.08 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 2rkd n GLN 412 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rkd h PRO 414 N 9.17 0.00 -0.18 0.00 0.13 -1.88 -1.58 132.00 137.65 2rkd h PRO 414 Ca -0.40 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2rkd h PRO 414 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2rkd h PRO 414 CO 0.94 0.00 -0.06 0.44 -0.23 0.00 0.00 178.00 179.10 2rkd n ILE 415 N -2.97 2.23 -1.73 -3.56 -5.35 -1.26 -5.03 119.36 101.68 2rkd n ILE 415 Ca -0.01 -2.29 -0.42 0.00 -0.27 0.00 0.00 62.75 59.76 2rkd n ILE 415 Cb 0.17 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 37.79 2rkd n ILE 415 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rkd n ILE 416 N -0.96 1.20 -2.20 7.28 0.13 -0.60 -0.90 119.36 123.31 2rkd n ILE 416 Ca 0.22 -0.30 -0.41 0.00 -1.10 0.00 0.00 62.75 61.16 2rkd n ILE 416 Cb 0.84 -1.83 -0.03 0.00 -0.84 0.00 0.00 39.64 37.78 2rkd n ILE 416 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2rkd s ASP 417 N 0.31 6.88 0.62 9.51 2.15 0.20 -4.71 116.67 131.63 2rkd s ASP 417 Ca 0.63 2.56 0.36 0.00 0.43 0.00 0.00 52.55 56.53 2rkd s ASP 417 Cb -0.53 -2.64 2.07 0.00 -0.30 0.00 0.00 42.92 41.52 2rkd s ASP 417 CO 0.52 -0.47 2.30 1.55 -0.17 0.00 0.00 175.17 178.90 2rkd h PRO 418 N 3.89 0.00 -0.70 4.34 0.13 -1.91 -1.48 132.00 136.28 2rkd h PRO 418 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rkd h PRO 418 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rkd h PRO 418 CO 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2rkd n ALA 419 N -2.22 2.69 0.30 -0.56 0.00 -1.26 -4.64 120.51 114.83 2rkd n ALA 419 Ca -0.03 -1.40 0.17 0.00 0.00 0.00 0.00 53.44 52.18 2rkd n ALA 419 Cb 0.08 -0.98 0.98 0.00 0.00 0.00 0.00 19.45 19.54 2rkd n ALA 419 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2rkd h TRP 420 N 4.18 0.00 0.00 0.00 5.08 -1.59 -1.76 115.95 121.86 2rkd h TRP 420 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 2rkd h TRP 420 Cb 1.18 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2rkd h TRP 420 CO 0.61 0.00 -0.07 -0.85 -1.28 0.00 0.00 178.44 176.85 2rkd n GLU 421 N -3.68 1.18 -1.69 0.12 0.28 -1.26 -4.62 120.64 110.98 2rkd n GLU 421 Ca -0.03 -2.48 -0.44 0.00 -0.16 0.00 0.00 57.16 54.06 2rkd n GLU 421 Cb 0.09 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 2rkd n GLU 421 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2rkd n SER 422 N -1.30 3.86 0.08 -1.84 7.64 -0.67 -4.76 113.62 116.63 2rkd n SER 422 Ca 0.15 0.99 0.13 0.00 1.01 0.00 0.00 58.87 61.15 2rkd n SER 422 Cb 0.65 -1.51 0.61 0.00 -1.01 0.00 0.00 64.21 62.95 2rkd n SER 422 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2rkd h PRO 423 N 8.36 0.12 0.00 1.43 0.11 -1.93 -1.86 132.00 138.23 2rkd h PRO 423 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2rkd h PRO 423 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2rkd h PRO 423 CO 0.94 0.08 0.00 0.93 -0.21 0.00 0.00 178.00 179.74 2rkd h GLU 424 N 0.12 0.00 0.00 1.05 3.07 -1.95 -3.36 114.58 113.52 2rkd h GLU 424 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2rkd h GLU 424 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2rkd h GLU 424 CO -0.02 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.00 2rkd n GLY 425 N 0.79 -1.35 3.56 -3.84 0.00 -0.70 -4.70 105.19 98.95 2rkd n GLY 425 Ca 0.04 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 2rkd n GLY 425 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rkd s VAL 426 N -1.27 3.49 -0.37 1.61 -7.23 0.14 -4.76 120.40 112.00 2rkd s VAL 426 Ca 0.00 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 2rkd s VAL 426 Cb 0.00 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.47 2rkd s VAL 426 CO 0.00 0.45 1.34 -2.16 -0.31 0.00 0.00 175.10 174.42 2rkd s PRO 427 N -1.23 3.74 -0.07 4.82 0.04 -1.26 -0.52 135.00 140.52 2rkd s PRO 427 Ca 0.15 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 2rkd s PRO 427 Cb -0.11 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2rkd s PRO 427 CO 0.05 -1.35 0.97 0.42 0.04 0.00 0.00 177.00 177.13 2rkd s ILE 428 N 4.88 4.84 -0.29 0.56 -1.09 0.32 -3.89 121.20 126.53 2rkd s ILE 428 Ca 0.58 1.98 0.07 0.00 -2.23 0.00 0.00 60.65 61.06 2rkd s ILE 428 Cb -0.15 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.36 2rkd s ILE 428 CO 0.28 0.08 0.29 -0.62 -1.23 0.00 0.00 174.94 173.74 2rkd n GLU 429 N 4.53 3.77 -3.74 2.79 1.02 -0.29 -4.49 120.64 124.23 2rkd n GLU 429 Ca 0.07 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 2rkd n GLU 429 Cb 0.50 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.91 2rkd n GLU 429 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rkd s GLY 430 N -1.91 -0.27 -0.11 0.62 0.00 -1.24 -2.69 107.32 101.71 2rkd s GLY 430 Ca 0.02 0.94 0.03 0.00 0.00 0.00 0.00 44.72 45.71 2rkd s GLY 430 CO 0.31 0.78 -0.20 -0.42 0.00 0.00 0.00 173.10 173.57 2rkd s ILE 431 N -0.12 1.80 -0.16 0.90 1.01 0.17 -1.42 121.20 123.38 2rkd s ILE 431 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2rkd s ILE 431 Cb -0.03 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 2rkd s ILE 431 CO 0.01 0.50 -0.11 -0.63 0.00 0.00 0.00 174.94 174.71 2rkd s ILE 432 N 0.67 3.05 0.22 2.92 1.01 0.39 -1.14 121.20 128.33 2rkd s ILE 432 Ca -0.12 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 59.95 2rkd s ILE 432 Cb -0.16 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2rkd s ILE 432 CO 0.03 0.50 0.19 -0.36 0.00 0.00 0.00 174.94 175.30 2rkd s PHE 433 N 0.75 3.15 -0.09 3.97 0.08 -0.22 -0.08 117.98 125.55 2rkd s PHE 433 Ca -0.05 -0.07 -0.32 0.00 0.12 0.00 0.00 56.93 56.61 2rkd s PHE 433 Cb -0.15 -1.45 0.13 0.00 -0.57 0.00 0.00 43.02 40.98 2rkd s PHE 433 CO 0.01 0.52 1.29 0.20 -0.10 0.00 0.00 175.22 177.14 2rkd s GLY 434 N -3.62 -0.38 0.31 4.36 0.00 -1.15 -0.54 107.32 106.29 2rkd s GLY 434 Ca 0.32 1.03 -0.18 0.00 0.00 0.00 0.00 44.72 45.89 2rkd s GLY 434 CO 0.25 0.26 0.87 -0.32 0.00 0.00 0.00 173.10 174.16 2rkd s GLY 435 N -2.72 0.25 -0.52 0.20 0.00 -1.20 -4.11 107.32 99.22 2rkd s GLY 435 Ca 0.13 -0.57 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 2rkd s GLY 435 CO -0.04 0.54 0.79 -1.60 0.00 0.00 0.00 173.10 172.79 2rkd s ARG 436 N -2.38 3.24 -0.27 2.90 3.52 -1.26 -4.51 118.95 120.19 2rkd s ARG 436 Ca 0.17 -0.52 -0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2rkd s ARG 436 Cb -0.04 -4.06 0.08 0.00 -1.56 0.00 0.00 34.95 29.37 2rkd s ARG 436 CO 0.09 -1.33 0.04 1.03 -0.81 0.00 0.00 175.30 174.32 2rkd s ARG 437 N 3.31 1.02 0.56 5.12 1.81 -1.26 -0.36 118.95 129.14 2rkd s ARG 437 Ca 0.24 -1.02 0.33 0.00 -1.72 0.00 0.00 55.73 53.55 2rkd s ARG 437 Cb -0.15 -2.30 1.63 0.00 -0.45 0.00 0.00 34.95 33.68 2rkd s ARG 437 CO 0.16 -0.82 2.11 -1.00 -0.68 0.00 0.00 175.30 175.08 2rkd h PRO 438 N 8.03 0.00 -4.88 3.54 0.13 -1.95 -3.18 132.00 133.69 2rkd h PRO 438 Ca -0.14 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.66 2rkd h PRO 438 Cb 1.05 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.96 2rkd h PRO 438 CO 0.44 0.07 -0.75 0.00 -0.23 0.00 0.00 178.00 177.52 2rkd s ALA 439 N -4.04 0.81 0.00 -0.56 0.00 -1.26 -0.71 121.76 116.00 2rkd s ALA 439 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2rkd s ALA 439 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2rkd s ALA 439 CO 0.54 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2rkd n GLY 440 N 1.43 2.51 3.51 0.00 0.00 -1.26 -4.96 105.19 106.42 2rkd n GLY 440 Ca -0.22 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2rkd n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rkd s VAL 441 N -0.63 5.28 0.93 1.61 1.01 -1.26 -4.71 120.40 122.62 2rkd s VAL 441 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2rkd s VAL 441 Cb 0.00 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2rkd s VAL 441 CO 0.00 -0.09 0.36 -2.65 0.00 0.00 0.00 175.10 172.72 2rkd n PRO 442 N 5.13 -0.22 -0.24 2.72 -0.02 -1.26 -4.79 135.00 136.32 2rkd n PRO 442 Ca -0.12 -0.02 0.03 0.00 -2.02 0.00 0.00 63.50 61.36 2rkd n PRO 442 Cb 0.49 -1.81 0.15 0.00 -0.02 0.00 0.00 33.50 32.30 2rkd n PRO 442 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2rkd h LEU 443 N -1.42 0.29 -7.14 2.45 5.85 -1.68 -3.31 115.31 110.34 2rkd h LEU 443 Ca -0.44 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 2rkd h LEU 443 Cb 1.29 0.06 -0.24 0.00 0.37 0.00 0.00 40.66 42.14 2rkd h LEU 443 CO 0.34 0.15 -0.13 0.54 -0.34 0.00 0.00 178.44 179.01 2rkd s VAL 444 N -6.05 -0.01 0.10 1.05 0.11 -1.26 -0.47 120.40 113.87 2rkd s VAL 444 Ca -0.13 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2rkd s VAL 444 Cb 0.19 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2rkd s VAL 444 CO 0.76 0.01 -0.05 -0.72 -3.33 0.00 0.00 175.10 171.77 2rkd s TYR 445 N 1.04 0.85 -0.11 1.54 1.13 -0.13 -4.53 117.35 117.15 2rkd s TYR 445 Ca -0.06 -0.95 0.01 0.00 -1.41 0.00 0.00 57.07 54.66 2rkd s TYR 445 Cb -0.06 -0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 40.28 2rkd s TYR 445 CO -0.10 -0.20 -0.16 -2.00 -2.51 0.00 0.00 175.55 170.59 2rkd s GLU 446 N -3.86 3.17 0.56 -3.49 2.12 0.11 -0.05 118.70 117.27 2rkd s GLU 446 Ca 0.12 -0.73 -0.21 0.00 0.36 0.00 0.00 54.97 54.51 2rkd s GLU 446 Cb 0.06 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 2rkd s GLU 446 CO -0.05 0.27 1.32 0.00 -0.54 0.00 0.00 175.26 176.26 2rkd s ALA 447 N 0.18 2.73 -0.38 6.30 0.00 0.59 -0.98 121.76 130.20 2rkd s ALA 447 Ca -0.09 1.26 0.26 0.00 0.00 0.00 0.00 51.96 53.39 2rkd s ALA 447 Cb -0.16 -3.54 0.78 0.00 0.00 0.00 0.00 23.12 20.20 2rkd s ALA 447 CO 0.06 -1.35 1.75 -0.07 0.00 0.00 0.00 175.76 176.15 2rkd h LEU 448 N 1.30 0.00 -7.73 0.00 3.38 -1.89 -3.45 115.31 106.92 2rkd h LEU 448 Ca -0.51 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.67 2rkd h LEU 448 Cb 1.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 2rkd h LEU 448 CO 0.57 0.00 0.62 -0.94 0.09 0.00 0.00 178.44 178.78 2rkd s SER 449 N -5.44 -0.07 0.15 -0.43 1.04 -1.26 -4.99 113.70 102.70 2rkd s SER 449 Ca 0.06 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 55.87 2rkd s SER 449 Cb 0.08 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2rkd s SER 449 CO 0.59 -0.78 1.79 -0.25 0.98 0.00 0.00 173.24 175.56 2rkd h TRP 450 N 2.00 0.39 -0.54 5.02 2.91 -1.92 0.59 115.95 124.39 2rkd h TRP 450 Ca -0.26 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.71 2rkd h TRP 450 Cb 1.22 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.72 2rkd h TRP 450 CO 0.85 0.23 0.11 1.96 -1.03 0.00 0.00 178.44 180.56 2rkd h GLN 451 N 0.42 0.89 -0.85 2.65 7.50 -1.96 -0.08 115.11 123.68 2rkd h GLN 451 Ca 0.13 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.03 2rkd h GLN 451 Cb -0.01 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.37 2rkd h GLN 451 CO -0.05 0.85 0.43 1.25 -1.50 0.00 0.00 178.83 179.80 2rkd h HIS 452 N 0.78 1.21 -0.76 2.96 2.76 -1.91 -1.87 115.15 118.33 2rkd h HIS 452 Ca 0.17 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2rkd h HIS 452 Cb 0.37 -0.38 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 2rkd h HIS 452 CO 0.03 0.87 0.50 0.78 -1.30 0.00 0.00 177.93 178.80 2rkd h GLY 453 N 1.21 1.07 0.98 5.26 0.00 -0.18 0.01 103.07 111.41 2rkd h GLY 453 Ca 0.29 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2rkd h GLY 453 CO -0.04 0.37 0.20 -2.08 0.00 0.00 0.00 176.54 174.98 2rkd h VAL 454 N 1.00 1.22 -0.63 4.60 2.07 -0.83 -2.36 116.25 121.33 2rkd h VAL 454 Ca 0.28 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 67.16 2rkd h VAL 454 Cb -0.08 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 2rkd h VAL 454 CO -0.07 0.27 0.33 0.15 0.02 0.00 0.00 177.57 178.26 2rkd h PHE 455 N 0.71 0.60 -0.44 1.57 3.57 -0.94 -0.38 116.94 121.63 2rkd h PHE 455 Ca 0.17 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2rkd h PHE 455 Cb 0.22 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2rkd h PHE 455 CO 0.01 0.27 0.20 0.28 -2.23 0.00 0.00 178.31 176.84 2rkd h VAL 456 N 0.60 0.93 -0.57 1.41 2.07 -0.74 0.12 116.25 120.08 2rkd h VAL 456 Ca 0.29 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2rkd h VAL 456 Cb 0.21 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2rkd h VAL 456 CO -0.20 0.07 0.34 1.23 0.02 0.00 0.00 177.57 179.04 2rkd h GLY 457 N 0.40 0.81 2.00 2.17 0.00 -1.14 -2.57 103.07 104.74 2rkd h GLY 457 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2rkd h GLY 457 CO -0.16 0.22 -0.11 0.00 0.00 0.00 0.00 176.54 176.49 2rkd h ALA 458 N 1.25 1.70 -0.01 3.60 0.00 -0.09 -0.79 119.26 124.91 2rkd h ALA 458 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2rkd h ALA 458 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rkd h ALA 458 CO -0.10 0.13 -0.10 0.00 0.00 0.00 0.00 179.25 179.19 2rkd n ALA 459 N -2.46 2.75 -1.67 0.00 0.00 0.34 -4.52 120.51 114.94 2rkd n ALA 459 Ca -0.03 -0.46 -0.45 0.00 0.00 0.00 0.00 53.44 52.50 2rkd n ALA 459 Cb 0.18 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2rkd n ALA 459 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rkd n MET 460 N 0.03 2.16 -4.07 0.00 2.81 -1.14 -4.93 117.12 111.98 2rkd n MET 460 Ca 0.16 0.78 -0.11 0.00 -1.81 0.00 0.00 57.70 56.71 2rkd n MET 460 Cb 0.38 -2.52 -0.11 0.00 -0.71 0.00 0.00 33.22 30.26 2rkd n MET 460 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2rkd s ARG 461 N 0.56 0.55 -0.21 0.03 0.52 -1.26 -1.21 118.95 117.94 2rkd s ARG 461 Ca 0.76 -0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 2rkd s ARG 461 Cb -0.66 -0.16 0.05 0.00 0.52 0.00 0.00 34.95 34.70 2rkd s ARG 461 CO 0.41 0.01 0.55 0.45 0.02 0.00 0.00 175.30 176.73 2rkd s SER 462 N -1.95 -0.58 0.03 0.23 0.15 -0.32 -4.34 113.70 106.91 2rkd s SER 462 Ca -0.05 1.11 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 2rkd s SER 462 Cb -0.06 1.12 -0.07 0.00 -1.71 0.00 0.00 66.02 65.30 2rkd s SER 462 CO -0.02 -0.19 1.62 -0.70 1.20 0.00 0.00 173.24 175.15 2rkd s GLU 463 N 0.34 4.21 -0.11 5.44 2.12 0.51 -1.75 118.70 129.46 2rkd s GLU 463 Ca -0.00 2.24 -0.08 0.00 0.36 0.00 0.00 54.97 57.48 2rkd s GLU 463 Cb -0.04 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 2rkd s GLU 463 CO 0.00 -0.74 0.22 0.00 -0.54 0.00 0.00 175.26 174.20 2rkd h ALA 464 N 8.59 -0.02 0.00 6.30 0.00 -1.15 -3.45 119.26 129.52 2rkd h ALA 464 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2rkd h ALA 464 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2rkd h ALA 464 CO 0.93 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2rkd n GLY 472 N 1.68 0.00 3.97 0.00 0.00 -1.26 -4.64 105.19 104.94 2rkd n GLY 472 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2rkd n GLY 472 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkd s LYS 473 N 0.00 2.15 -0.05 1.61 1.02 -1.26 -5.11 119.74 118.10 2rkd s LYS 473 Ca 0.00 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2rkd s LYS 473 Cb 0.00 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2rkd s LYS 473 CO 0.00 -1.09 -0.09 0.08 -0.92 0.00 0.00 175.35 173.33 2rkd s VAL 474 N -3.00 0.83 -0.25 3.17 1.01 -1.26 -5.12 120.40 115.79 2rkd s VAL 474 Ca 0.61 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 2rkd s VAL 474 Cb -0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2rkd s VAL 474 CO 0.42 0.28 0.21 -0.63 0.00 0.00 0.00 175.10 175.39 2rkd s ILE 475 N 0.69 5.31 0.24 2.22 -1.09 -1.26 -0.53 121.20 126.78 2rkd s ILE 475 Ca -0.12 0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.65 2rkd s ILE 475 Cb -0.14 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 2rkd s ILE 475 CO 0.02 0.30 -0.11 0.00 -1.23 0.00 0.00 174.94 173.91 2rkd s MET 476 N 1.31 1.43 0.21 2.79 0.23 -0.72 -4.90 119.30 119.65 2rkd s MET 476 Ca 0.09 -1.67 -0.30 0.00 -1.03 0.00 0.00 55.69 52.78 2rkd s MET 476 Cb -0.14 -1.16 -0.08 0.00 -1.53 0.00 0.00 34.83 31.92 2rkd s MET 476 CO 0.07 0.13 0.98 -1.01 -2.03 0.00 0.00 175.02 173.16 2rkd s HIS 477 N -2.97 3.85 -0.42 3.16 3.76 -1.26 -1.17 115.29 120.24 2rkd s HIS 477 Ca 0.26 1.83 0.05 0.00 -0.15 0.00 0.00 55.06 57.05 2rkd s HIS 477 Cb 0.01 -3.07 0.19 0.00 1.11 0.00 0.00 32.58 30.82 2rkd s HIS 477 CO 0.09 0.16 0.46 -3.47 -0.85 0.00 0.00 174.74 171.13 2rkd n ASP 478 N 1.87 -0.89 -4.71 1.40 -0.08 -0.35 -4.95 116.55 108.85 2rkd n ASP 478 Ca -0.00 -2.56 -0.42 0.00 -1.51 0.00 0.00 54.79 50.30 2rkd n ASP 478 Cb 0.47 -0.13 -0.03 0.00 2.34 0.00 0.00 41.12 43.77 2rkd n ASP 478 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2rkd s PRO 479 N -0.06 4.14 -1.24 -0.67 0.04 -1.26 -1.57 135.00 134.38 2rkd s PRO 479 Ca 0.33 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.95 2rkd s PRO 479 Cb 0.07 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2rkd s PRO 479 CO -0.16 -0.79 0.00 1.19 0.04 0.00 0.00 177.00 177.28 2rkd n PHE 480 N 4.80 0.00 -1.94 0.56 3.01 -0.32 -0.95 117.46 122.61 2rkd n PHE 480 Ca 0.17 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.45 2rkd n PHE 480 Cb 0.37 -2.79 -0.04 0.00 -0.01 0.00 0.00 39.48 37.00 2rkd n PHE 480 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rkd n ALA 481 N 1.22 -0.46 0.01 4.37 0.00 -0.61 -4.63 120.51 120.40 2rkd n ALA 481 Ca -0.12 0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2rkd n ALA 481 Cb 0.59 -1.86 0.11 0.00 0.00 0.00 0.00 19.45 18.29 2rkd n ALA 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rkd n MET 482 N -2.54 2.13 -0.21 0.00 2.81 -0.13 -4.78 117.12 114.41 2rkd n MET 482 Ca -0.19 -1.72 0.01 0.00 -1.81 0.00 0.00 57.70 53.99 2rkd n MET 482 Cb 0.62 -1.22 0.11 0.00 -0.71 0.00 0.00 33.22 32.02 2rkd n MET 482 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2rkd h ARG 483 N 1.84 0.17 -0.05 0.03 2.43 -1.85 0.31 114.38 117.25 2rkd h ARG 483 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2rkd h ARG 483 Cb 0.62 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2rkd h ARG 483 CO 0.00 0.11 0.00 -0.35 -1.51 0.00 0.00 179.97 178.22 2rkd n PRO 484 N -5.22 1.22 0.00 0.20 -0.05 -1.26 -4.30 135.00 125.58 2rkd n PRO 484 Ca 0.09 -0.33 0.00 0.00 -0.05 0.00 0.00 63.50 63.22 2rkd n PRO 484 Cb 0.36 -1.34 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 2rkd n PRO 484 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 2rkd n PHE 485 N -0.47 0.00 -1.69 0.54 3.72 0.10 -5.04 117.46 114.62 2rkd n PHE 485 Ca 0.15 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.11 2rkd n PHE 485 Cb 0.15 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 2rkd n PHE 485 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2rkd n PHE 486 N -0.30 2.54 0.97 1.38 3.72 -0.84 -3.70 117.46 121.23 2rkd n PHE 486 Ca 0.00 0.08 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 2rkd n PHE 486 Cb 0.03 -2.64 0.53 0.00 -0.94 0.00 0.00 39.48 36.46 2rkd n PHE 486 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rkd n GLY 487 N 3.85 -1.47 3.84 1.37 0.00 -1.25 -4.90 105.19 106.64 2rkd n GLY 487 Ca 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2rkd n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2rkd s TYR 488 N -3.01 0.06 -0.44 1.61 1.13 -1.26 -4.76 117.35 110.68 2rkd s TYR 488 Ca 0.13 -0.60 -0.44 0.00 -1.41 0.00 0.00 57.07 54.76 2rkd s TYR 488 Cb 0.18 0.77 -0.18 0.00 -1.10 0.00 0.00 41.96 41.63 2rkd s TYR 488 CO 0.57 -1.26 1.84 -1.71 -2.51 0.00 0.00 175.55 172.49 2rkd n ASN 489 N -1.21 1.38 0.09 -0.18 2.85 -0.23 -4.71 115.26 113.25 2rkd n ASN 489 Ca -0.06 0.95 0.05 0.00 -0.11 0.00 0.00 54.58 55.40 2rkd n ASN 489 Cb 0.60 -0.97 0.47 0.00 1.24 0.00 0.00 39.78 41.12 2rkd n ASN 489 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2rkd h PHE 490 N 7.29 0.34 -0.51 1.20 3.57 -1.89 -0.12 116.94 126.82 2rkd h PHE 490 Ca -0.33 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2rkd h PHE 490 Cb 1.37 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2rkd h PHE 490 CO 0.80 0.25 0.23 0.78 -2.23 0.00 0.00 178.31 178.14 2rkd h GLY 491 N 0.44 0.79 1.48 2.40 0.00 -1.90 0.44 103.07 106.72 2rkd h GLY 491 Ca 0.09 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2rkd h GLY 491 CO -0.01 0.38 -0.04 0.50 0.00 0.00 0.00 176.54 177.37 2rkd h LYS 492 N 0.67 0.64 -0.23 4.80 1.79 -1.55 -0.54 116.57 122.15 2rkd h LYS 492 Ca 0.17 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2rkd h LYS 492 Cb 0.14 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2rkd h LYS 492 CO -0.02 0.69 0.14 -0.92 -1.08 0.00 0.00 179.45 178.26 2rkd h TYR 493 N 0.60 0.30 -0.23 -1.35 5.03 -0.71 0.66 116.97 121.28 2rkd h TYR 493 Ca 0.12 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.47 2rkd h TYR 493 Cb 0.44 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 2rkd h TYR 493 CO 0.02 0.23 -0.05 -0.07 -1.32 0.00 0.00 178.16 176.97 2rkd h LEU 494 N 0.29 -0.19 -1.43 2.82 3.38 -0.62 -1.50 115.31 118.06 2rkd h LEU 494 Ca 0.08 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2rkd h LEU 494 Cb 0.01 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2rkd h LEU 494 CO -0.02 -0.06 0.47 0.00 0.09 0.00 0.00 178.44 178.92 2rkd h ALA 495 N 1.22 1.79 -0.27 1.53 0.00 -0.93 -0.96 119.26 121.64 2rkd h ALA 495 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2rkd h ALA 495 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2rkd h ALA 495 CO -0.22 0.08 -0.02 1.25 0.00 0.00 0.00 179.25 180.34 2rkd h HIS 496 N 0.67 0.53 -0.12 0.00 -0.00 -0.20 -1.24 115.15 114.79 2rkd h HIS 496 Ca 0.32 -0.10 0.01 0.00 -0.00 0.00 0.00 60.37 60.60 2rkd h HIS 496 Cb 0.37 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2rkd h HIS 496 CO -0.00 0.65 0.02 -1.49 -0.00 0.00 0.00 177.93 177.12 2rkd h TRP 497 N 0.25 0.04 -0.81 5.26 4.06 -0.86 -3.03 115.95 120.86 2rkd h TRP 497 Ca 0.07 0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.05 2rkd h TRP 497 Cb 0.45 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 2rkd h TRP 497 CO 0.04 0.02 0.54 -0.07 -3.56 0.00 0.00 178.44 175.41 2rkd h LEU 498 N 0.08 0.91 -2.84 -4.49 3.38 -1.08 -2.36 115.31 108.90 2rkd h LEU 498 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2rkd h LEU 498 Cb 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2rkd h LEU 498 CO -0.07 0.64 0.02 0.77 0.09 0.00 0.00 178.44 179.90 2rkd h SER 499 N 1.06 0.00 0.02 -0.43 4.64 -1.10 -2.50 113.55 115.25 2rkd h SER 499 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2rkd h SER 499 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2rkd h SER 499 CO -0.08 0.00 -0.03 0.24 -0.87 0.00 0.00 176.83 176.09 2rkd h MET 500 N 0.00 0.05 0.00 4.77 2.86 -1.46 -1.49 114.93 119.66 2rkd h MET 500 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2rkd h MET 500 Cb 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2rkd h MET 500 CO -0.00 0.09 0.00 0.00 1.06 0.00 0.00 176.91 178.06 2rkd h ALA 501 N 1.92 1.00 -0.30 6.32 0.00 -1.64 -2.83 119.26 123.73 2rkd h ALA 501 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rkd h ALA 501 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2rkd h ALA 501 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2rkd n HIS 502 N -2.84 0.39 -2.52 0.00 8.25 -0.56 -4.84 115.22 113.08 2rkd n HIS 502 Ca -0.00 -0.23 -0.43 0.00 -0.26 0.00 0.00 57.72 56.79 2rkd n HIS 502 Cb 0.19 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 2rkd n HIS 502 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2rkd s ARG 503 N -1.35 3.91 0.33 -0.41 3.52 -1.07 -5.01 118.95 118.88 2rkd s ARG 503 Ca 0.32 1.06 -0.29 0.00 -0.13 0.00 0.00 55.73 56.68 2rkd s ARG 503 Cb 0.19 -3.84 -0.11 0.00 -1.56 0.00 0.00 34.95 29.62 2rkd s ARG 503 CO 0.26 -1.12 1.50 -2.14 -0.81 0.00 0.00 175.30 173.00 2rkd s PRO 504 N 4.09 4.15 0.00 5.12 0.02 -1.26 -2.49 135.00 144.63 2rkd s PRO 504 Ca 0.52 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.05 2rkd s PRO 504 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2rkd s PRO 504 CO 0.22 -0.52 0.00 0.00 -0.33 0.00 0.00 177.00 176.37 2rkd n ALA 505 N 1.28 0.00 -1.67 -1.55 0.00 -1.26 -4.94 120.51 112.36 2rkd n ALA 505 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.02 2rkd n ALA 505 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 2rkd n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rkd n ALA 506 N -0.28 1.35 -3.17 0.00 0.00 -1.04 -4.19 120.51 113.19 2rkd n ALA 506 Ca 0.00 0.40 -0.45 0.00 0.00 0.00 0.00 53.44 53.38 2rkd n ALA 506 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.01 2rkd n ALA 506 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rkd s LYS 507 N 1.79 3.38 0.03 0.00 1.02 0.82 -5.03 119.74 121.75 2rkd s LYS 507 Ca 0.82 -1.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 2rkd s LYS 507 Cb -0.66 -4.48 -0.06 0.00 -0.52 0.00 0.00 37.83 32.10 2rkd s LYS 507 CO 0.41 -1.49 1.42 -0.51 -0.92 0.00 0.00 175.35 174.26 2rkd s LEU 508 N 1.65 4.33 0.58 3.17 1.43 -1.26 -4.58 118.68 124.00 2rkd s LEU 508 Ca 0.18 2.19 -0.19 0.00 -1.03 0.00 0.00 54.13 55.28 2rkd s LEU 508 Cb -0.15 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2rkd s LEU 508 CO -0.03 -0.72 1.21 -2.84 0.23 0.00 0.00 176.35 174.20 2rkd s PRO 509 N 2.13 3.03 0.30 1.29 0.02 -1.26 -4.99 135.00 135.51 2rkd s PRO 509 Ca 0.65 1.82 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 2rkd s PRO 509 Cb -0.33 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 2rkd s PRO 509 CO 0.28 -1.16 1.34 0.21 -0.33 0.00 0.00 177.00 177.34 2rkd s LYS 510 N -3.30 4.34 -0.17 5.54 2.20 -1.10 -4.79 119.74 122.47 2rkd s LYS 510 Ca 0.77 2.22 -0.04 0.00 -0.36 0.00 0.00 55.97 58.56 2rkd s LYS 510 Cb -0.30 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2rkd s LYS 510 CO 0.33 -0.26 -0.04 0.42 -0.36 0.00 0.00 175.35 175.44 2rkd s ILE 511 N -0.72 3.76 0.31 5.43 1.01 -1.26 -0.65 121.20 129.07 2rkd s ILE 511 Ca 0.52 -0.40 0.11 0.00 0.00 0.00 0.00 60.65 60.88 2rkd s ILE 511 Cb -0.40 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2rkd s ILE 511 CO 0.49 0.48 -0.13 -0.36 0.00 0.00 0.00 174.94 175.42 2rkd s PHE 512 N 0.61 2.38 -0.04 3.97 0.40 -0.29 -0.30 117.98 124.71 2rkd s PHE 512 Ca -0.03 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2rkd s PHE 512 Cb -0.14 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.21 2rkd s PHE 512 CO 0.02 0.64 -0.08 -1.58 0.70 0.00 0.00 175.22 174.93 2rkd s HIS 513 N -2.53 0.94 0.18 0.36 2.46 0.93 -1.05 115.29 116.57 2rkd s HIS 513 Ca 0.31 -0.27 0.11 0.00 0.47 0.00 0.00 55.06 55.69 2rkd s HIS 513 Cb -0.02 -0.72 -0.04 0.00 -0.13 0.00 0.00 32.58 31.66 2rkd s HIS 513 CO 0.16 -0.16 -0.23 0.14 -2.47 0.00 0.00 174.74 172.18 2rkd s VAL 514 N 0.55 2.42 -0.26 0.89 -7.23 0.30 -0.95 120.40 116.12 2rkd s VAL 514 Ca -0.09 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 2rkd s VAL 514 Cb -0.12 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.76 2rkd s VAL 514 CO 0.01 -0.07 0.11 0.21 -0.31 0.00 0.00 175.10 175.05 2rkd s ASN 515 N -2.55 3.24 0.00 4.85 2.47 0.38 -3.22 114.94 120.12 2rkd s ASN 515 Ca 0.20 -1.12 0.29 0.00 0.42 0.00 0.00 52.86 52.65 2rkd s ASN 515 Cb -0.08 -0.38 1.33 0.00 -1.45 0.00 0.00 41.25 40.66 2rkd s ASN 515 CO 0.09 -0.41 1.96 0.79 -3.72 0.00 0.00 177.10 175.82 2rkd n TRP 516 N 5.21 0.00 -0.32 0.43 5.03 -1.26 -4.28 117.44 122.24 2rkd n TRP 516 Ca -0.06 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.52 2rkd n TRP 516 Cb 0.44 -0.40 0.14 0.00 -1.03 0.00 0.00 31.31 30.46 2rkd n TRP 516 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 2rkd n PHE 517 N -1.40 0.42 -1.98 -5.99 3.72 -1.26 -4.57 117.46 106.40 2rkd n PHE 517 Ca 0.10 -0.59 -0.42 0.00 -0.05 0.00 0.00 57.45 56.49 2rkd n PHE 517 Cb 0.30 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 2rkd n PHE 517 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2rkd s ARG 518 N -1.41 4.24 0.12 -1.08 3.52 -1.20 -4.02 118.95 119.13 2rkd s ARG 518 Ca 0.22 2.32 0.07 0.00 -0.13 0.00 0.00 55.73 58.22 2rkd s ARG 518 Cb 0.14 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 2rkd s ARG 518 CO 0.11 -0.51 -0.09 0.15 -0.81 0.00 0.00 175.30 174.15 2rkd s LYS 519 N 0.35 2.16 0.00 5.12 1.02 0.11 -0.86 119.74 127.63 2rkd s LYS 519 Ca 0.64 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.57 2rkd s LYS 519 Cb -0.43 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2rkd s LYS 519 CO 0.38 0.49 0.00 -0.40 -0.92 0.00 0.00 175.35 174.90 2rkd n ASP 520 N 0.52 -0.17 0.26 2.83 5.68 -0.48 -4.76 116.55 120.44 2rkd n ASP 520 Ca -0.13 -0.14 0.14 0.00 -0.50 0.00 0.00 54.79 54.16 2rkd n ASP 520 Cb 0.53 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.14 2rkd n ASP 520 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2rkd h LYS 521 N 0.00 0.00 0.00 0.11 1.57 -1.98 -3.24 116.57 113.04 2rkd h LYS 521 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rkd h LYS 521 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2rkd h LYS 521 CO 0.00 0.11 -0.93 0.09 -0.57 0.00 0.00 179.45 178.16 2rkd n ASN 522 N -3.31 0.67 0.00 0.86 4.13 -1.26 -4.96 115.26 111.39 2rkd n ASN 522 Ca -0.00 -0.43 0.00 0.00 1.68 0.00 0.00 54.58 55.82 2rkd n ASN 522 Cb 0.33 0.76 0.00 0.00 -1.54 0.00 0.00 39.78 39.33 2rkd n ASN 522 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rkd n GLY 523 N 1.43 1.02 3.72 7.41 0.00 -1.22 -5.09 105.19 112.46 2rkd n GLY 523 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2rkd n GLY 523 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rkd s LYS 524 N -0.77 4.27 0.14 1.61 2.20 -1.26 -4.83 119.74 121.09 2rkd s LYS 524 Ca 0.00 0.13 -0.35 0.00 -0.36 0.00 0.00 55.97 55.40 2rkd s LYS 524 Cb 0.00 -3.43 -0.15 0.00 -1.51 0.00 0.00 37.83 32.74 2rkd s LYS 524 CO 0.00 0.22 1.45 1.19 -0.36 0.00 0.00 175.35 177.85 2rkd n PHE 525 N 3.63 1.93 0.41 4.03 3.72 -1.26 -1.38 117.46 128.54 2rkd n PHE 525 Ca -0.11 0.44 0.12 0.00 -0.05 0.00 0.00 57.45 57.85 2rkd n PHE 525 Cb 0.52 -2.44 0.19 0.00 -0.94 0.00 0.00 39.48 36.80 2rkd n PHE 525 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2rkd h LEU 526 N 5.12 0.00 -8.29 4.37 3.38 -1.32 -3.45 115.31 115.12 2rkd h LEU 526 Ca -0.46 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.76 2rkd h LEU 526 Cb 1.29 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.71 2rkd h LEU 526 CO 0.82 0.04 -0.86 0.86 0.09 0.00 0.00 178.44 179.39 2rkd s TRP 527 N -3.20 2.65 0.26 1.13 -0.11 -1.26 -4.61 118.94 113.79 2rkd s TRP 527 Ca 0.06 -1.18 -0.04 0.00 1.22 0.00 0.00 56.10 56.16 2rkd s TRP 527 Cb 0.11 -1.79 0.33 0.00 -1.50 0.00 0.00 33.47 30.62 2rkd s TRP 527 CO 0.70 -0.51 1.93 -1.00 -4.62 0.00 0.00 176.95 173.45 2rkd h PRO 528 N 7.07 1.25 0.00 5.86 0.13 -1.91 -3.48 132.00 140.92 2rkd h PRO 528 Ca -0.27 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2rkd h PRO 528 Cb 1.21 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2rkd h PRO 528 CO 0.53 0.82 0.00 0.41 -0.23 0.00 0.00 178.00 179.53 2rkd n GLY 529 N -1.39 -0.41 7.00 1.56 0.00 -1.26 -4.97 105.19 105.72 2rkd n GLY 529 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2rkd n GLY 529 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rkd n PHE 530 N 0.00 0.00 0.29 1.61 3.72 -1.26 -1.51 117.46 120.32 2rkd n PHE 530 Ca 0.00 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 2rkd n PHE 530 Cb 0.00 0.00 0.91 0.00 -0.94 0.00 0.00 39.48 39.45 2rkd n PHE 530 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2rkd h GLY 531 N 0.00 0.00 2.00 1.37 0.00 -1.91 -1.30 103.07 103.23 2rkd h GLY 531 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rkd h GLY 531 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 2rkd h GLU 532 N 0.00 0.00 0.00 4.80 4.39 -1.57 -2.71 114.58 119.49 2rkd h GLU 532 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rkd h GLU 532 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2rkd h GLU 532 CO 0.01 0.00 0.00 -0.91 -1.16 0.00 0.00 179.01 176.95 2rkd h ASN 533 N 0.00 0.00 0.05 1.42 2.35 -1.34 -1.88 115.58 116.17 2rkd h ASN 533 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2rkd h ASN 533 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2rkd h ASN 533 CO 0.00 0.00 -0.01 0.77 -1.65 0.00 0.00 177.43 176.54 2rkd h SER 534 N 0.00 0.00 -0.03 5.81 4.64 -1.70 -1.17 113.55 121.11 2rkd h SER 534 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2rkd h SER 534 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2rkd h SER 534 CO 0.00 0.01 -0.40 0.03 -0.87 0.00 0.00 176.83 175.60 2rkd h ARG 535 N 0.00 0.54 -0.17 4.77 3.08 -1.59 0.11 114.38 121.13 2rkd h ARG 535 Ca -0.00 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.64 2rkd h ARG 535 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2rkd h ARG 535 CO 0.00 0.85 -0.42 0.28 -1.07 0.00 0.00 179.97 179.61 2rkd h VAL 536 N 0.45 1.34 -1.00 2.04 2.07 -1.41 -2.94 116.25 116.80 2rkd h VAL 536 Ca 0.04 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.91 2rkd h VAL 536 Cb 0.90 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2rkd h VAL 536 CO 0.08 0.52 0.65 -0.07 0.02 0.00 0.00 177.57 178.76 2rkd h LEU 537 N 0.24 1.09 -0.44 2.57 3.38 -1.20 -1.74 115.31 119.21 2rkd h LEU 537 Ca -0.01 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2rkd h LEU 537 Cb 1.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2rkd h LEU 537 CO 0.09 0.75 0.20 -0.08 0.09 0.00 0.00 178.44 179.49 2rkd h GLU 538 N 1.27 0.39 -0.48 1.13 4.81 -0.78 0.32 114.58 121.25 2rkd h GLU 538 Ca 0.39 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 2rkd h GLU 538 Cb -0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2rkd h GLU 538 CO -0.12 0.26 0.31 2.35 -0.73 0.00 0.00 179.01 181.08 2rkd h TRP 539 N 0.40 0.59 -0.45 0.92 7.01 -1.25 -1.23 115.95 121.96 2rkd h TRP 539 Ca 0.20 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.24 2rkd h TRP 539 Cb 0.14 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 2rkd h TRP 539 CO -0.12 0.37 0.24 0.52 -2.79 0.00 0.00 178.44 176.66 2rkd h MET 540 N 0.64 0.46 -0.17 2.65 2.86 -1.07 -0.91 114.93 119.40 2rkd h MET 540 Ca 0.18 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2rkd h MET 540 Cb -0.07 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.44 2rkd h MET 540 CO -0.04 0.30 -0.14 0.35 1.06 0.00 0.00 176.91 178.44 2rkd h PHE 541 N 0.47 -0.36 -0.71 -0.22 3.04 -0.52 -0.93 116.94 117.71 2rkd h PHE 541 Ca 0.19 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 2rkd h PHE 541 Cb 0.08 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 2rkd h PHE 541 CO -0.09 -0.21 0.34 0.78 -2.02 0.00 0.00 178.31 177.10 2rkd h GLY 542 N -0.16 1.09 0.98 2.40 0.00 -0.96 -2.14 103.07 104.28 2rkd h GLY 542 Ca 0.11 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 2rkd h GLY 542 CO -0.27 0.50 0.13 3.21 0.00 0.00 0.00 176.54 180.11 2rkd h ARG 543 N 1.01 0.81 -0.74 4.80 2.47 -0.60 -0.78 114.38 121.34 2rkd h ARG 543 Ca 0.25 -0.19 0.07 0.00 -1.26 0.00 0.00 59.98 58.85 2rkd h ARG 543 Cb 0.11 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 2rkd h ARG 543 CO -0.03 0.77 0.48 0.82 0.56 0.00 0.00 179.97 182.58 2rkd h ILE 544 N 0.70 1.00 0.00 2.04 2.04 -0.95 -0.95 117.51 121.38 2rkd h ILE 544 Ca 0.16 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2rkd h ILE 544 Cb 0.32 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2rkd h ILE 544 CO 0.00 0.13 0.00 1.21 0.00 0.00 0.00 178.15 179.49 2rkd n GLU 545 N -4.49 0.12 -1.11 2.37 4.07 -0.69 -4.87 120.64 116.04 2rkd n GLU 545 Ca 0.11 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 2rkd n GLU 545 Cb 0.26 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 2rkd n GLU 545 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2rkd n GLY 546 N -0.37 0.50 3.77 8.31 0.00 -0.36 -5.05 105.19 111.99 2rkd n GLY 546 Ca 0.02 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 2rkd n GLY 546 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rkd s GLU 547 N -2.27 3.93 -1.38 1.61 2.02 -0.39 -4.94 118.70 117.29 2rkd s GLU 547 Ca 0.00 1.79 -0.09 0.00 0.02 0.00 0.00 54.97 56.69 2rkd s GLU 547 Cb 0.00 -2.55 0.09 0.00 0.10 0.00 0.00 34.13 31.77 2rkd s GLU 547 CO 0.00 -0.41 2.25 -3.47 0.02 0.00 0.00 175.26 173.65 2rkd n ASP 548 N -0.19 6.28 -0.05 -0.19 2.03 -1.26 -4.55 116.55 118.63 2rkd n ASP 548 Ca 0.06 -2.99 0.04 0.00 0.52 0.00 0.00 54.79 52.42 2rkd n ASP 548 Cb 0.47 -1.49 0.06 0.00 -0.72 0.00 0.00 41.12 39.44 2rkd n ASP 548 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2rkd n SER 549 N 3.60 2.17 -4.44 1.67 3.41 -1.26 -5.03 113.62 113.73 2rkd n SER 549 Ca 0.54 -2.42 -0.29 0.00 -0.26 0.00 0.00 58.87 56.44 2rkd n SER 549 Cb 0.31 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 2rkd n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rkd s ALA 550 N -1.73 2.54 -0.10 7.33 0.00 -1.26 -1.32 121.76 127.21 2rkd s ALA 550 Ca 0.13 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.74 2rkd s ALA 550 Cb 0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 2rkd s ALA 550 CO 0.01 0.57 -0.22 0.21 0.00 0.00 0.00 175.76 176.33 2rkd s LYS 551 N -2.03 3.10 0.12 0.00 2.20 0.12 -4.68 119.74 118.57 2rkd s LYS 551 Ca 0.16 -0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 54.61 2rkd s LYS 551 Cb -0.10 -2.35 -0.08 0.00 -1.51 0.00 0.00 37.83 33.79 2rkd s LYS 551 CO 0.08 0.18 1.36 -1.17 -0.36 0.00 0.00 175.35 175.44 2rkd s LEU 552 N 0.34 4.38 0.26 5.43 0.20 -1.26 -0.95 118.68 127.08 2rkd s LEU 552 Ca -0.18 2.30 0.02 0.00 0.69 0.00 0.00 54.13 56.97 2rkd s LEU 552 Cb -0.18 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.94 2rkd s LEU 552 CO 0.09 -0.62 0.07 0.42 -0.29 0.00 0.00 176.35 176.01 2rkd s THR 553 N 0.97 0.77 0.63 3.68 -4.23 -0.46 -4.93 115.64 112.08 2rkd s THR 553 Ca 0.63 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.46 2rkd s THR 553 Cb -0.36 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.24 2rkd s THR 553 CO 0.31 -0.08 2.04 -0.65 -0.54 0.00 0.00 174.62 175.70 2rkd h PRO 554 N 2.36 0.00 -0.01 3.99 0.11 -1.96 -2.65 132.00 133.85 2rkd h PRO 554 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2rkd h PRO 554 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2rkd h PRO 554 CO 0.63 0.00 -0.45 0.44 -0.21 0.00 0.00 178.00 178.41 2rkd n ILE 555 N -3.29 0.00 0.00 4.15 -5.35 -1.26 -4.77 119.36 108.83 2rkd n ILE 555 Ca 0.00 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2rkd n ILE 555 Cb 0.35 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 2rkd n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rkd n GLY 556 N 1.25 0.96 3.74 3.28 0.00 -1.00 -4.84 105.19 108.58 2rkd n GLY 556 Ca 0.06 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 2rkd n GLY 556 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rkd s TYR 557 N -1.51 3.75 0.35 1.61 1.51 -0.16 -1.36 117.35 121.55 2rkd s TYR 557 Ca 0.00 1.53 0.08 0.00 -1.01 0.00 0.00 57.07 57.67 2rkd s TYR 557 Cb 0.00 -2.86 -0.04 0.00 -0.11 0.00 0.00 41.96 38.94 2rkd s TYR 557 CO 0.00 0.26 0.15 0.14 -1.11 0.00 0.00 175.55 174.99 2rkd s VAL 558 N -0.04 2.93 0.33 0.71 -7.23 -0.12 0.08 120.40 117.06 2rkd s VAL 558 Ca 0.40 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 2rkd s VAL 558 Cb -0.21 -2.98 -0.11 0.00 0.56 0.00 0.00 36.38 33.64 2rkd s VAL 558 CO 0.24 -0.16 1.54 -2.65 -0.31 0.00 0.00 175.10 173.77 2rkd n PRO 559 N -1.17 2.68 -0.61 4.82 -0.02 -1.26 0.16 135.00 139.59 2rkd n PRO 559 Ca -0.03 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 2rkd n PRO 559 Cb 0.62 -2.70 0.20 0.00 -0.02 0.00 0.00 33.50 31.59 2rkd n PRO 559 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2rkd n LYS 560 N 1.32 -1.33 -2.08 -0.52 5.02 -0.44 -4.61 118.16 115.53 2rkd n LYS 560 Ca 0.05 -0.34 -0.41 0.00 -2.02 0.00 0.00 58.31 55.58 2rkd n LYS 560 Cb 0.38 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.20 2rkd n LYS 560 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2rkd s GLU 561 N -4.30 4.30 0.00 1.97 0.41 -1.26 -2.44 118.70 117.38 2rkd s GLU 561 Ca 0.65 2.22 0.00 0.00 -0.41 0.00 0.00 54.97 57.43 2rkd s GLU 561 Cb -0.23 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 2rkd s GLU 561 CO 0.63 -0.38 0.00 -0.25 -0.49 0.00 0.00 175.26 174.77 2rkd n ASP 562 N 2.57 0.00 -0.13 -0.19 8.00 -1.26 -4.88 116.55 120.65 2rkd n ASP 562 Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 2rkd n ASP 562 Cb 0.41 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2rkd n ASP 562 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rkd h ALA 563 N 0.00 0.76 -2.34 2.24 0.00 -1.82 -3.43 119.26 114.67 2rkd h ALA 563 Ca 0.00 -0.39 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 2rkd h ALA 563 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2rkd h ALA 563 CO 0.00 0.66 0.47 -1.17 0.00 0.00 0.00 179.25 179.21 2rkd s LEU 564 N -9.00 4.31 -0.46 0.00 2.96 -1.26 -4.95 118.68 110.29 2rkd s LEU 564 Ca -0.10 1.62 -0.28 0.00 -0.22 0.00 0.00 54.13 55.14 2rkd s LEU 564 Cb 0.13 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 2rkd s LEU 564 CO 0.86 -0.35 1.71 0.21 -1.32 0.00 0.00 176.35 177.45 2rkd s ASN 565 N 1.06 5.80 -0.03 3.68 3.84 -1.26 -4.82 114.94 123.21 2rkd s ASN 565 Ca 0.51 0.80 0.11 0.00 0.21 0.00 0.00 52.86 54.49 2rkd s ASN 565 Cb -0.20 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.27 2rkd s ASN 565 CO 0.24 -1.87 1.25 0.18 -2.79 0.00 0.00 177.10 174.11 2rkd n LEU 566 N 10.71 2.96 -4.73 3.21 4.77 -1.26 -4.88 117.00 127.77 2rkd n LEU 566 Ca 0.20 -2.18 -0.41 0.00 -0.03 0.00 0.00 56.01 53.58 2rkd n LEU 566 Cb 0.49 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2rkd n LEU 566 CO 0.70 0.70 0.96 -0.54 -1.33 0.00 0.00 177.39 177.88 2rkd s LYS 567 N -1.32 4.41 0.00 3.23 1.02 -1.26 -2.42 119.74 123.39 2rkd s LYS 567 Ca 0.24 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.23 2rkd s LYS 567 Cb 0.14 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2rkd s LYS 567 CO 0.13 -0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2rkd n GLY 568 N 2.50 2.59 3.92 -3.33 0.00 -1.26 -5.04 105.19 104.57 2rkd n GLY 568 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2rkd n GLY 568 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rkd s LEU 569 N 0.00 2.95 0.00 0.99 1.43 -1.01 -5.11 118.68 117.92 2rkd s LEU 569 Ca 0.00 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2rkd s LEU 569 Cb 0.00 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2rkd s LEU 569 CO 0.00 -1.40 0.00 0.61 0.23 0.00 0.00 176.35 175.79 2rkd n GLY 570 N -2.85 0.90 3.38 -3.19 0.00 -1.26 -4.91 105.19 97.26 2rkd n GLY 570 Ca 0.07 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 2rkd n GLY 570 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rkd s ASP 571 N -1.00 7.07 0.13 1.61 3.68 -1.26 -5.02 116.67 121.88 2rkd s ASP 571 Ca 0.00 -3.08 -0.31 0.00 2.13 0.00 0.00 52.55 51.30 2rkd s ASP 571 Cb 0.00 -2.28 -0.07 0.00 -1.45 0.00 0.00 42.92 39.12 2rkd s ASP 571 CO 0.00 -0.55 1.28 0.54 0.13 0.00 0.00 175.17 176.57 2rkd s VAL 572 N 0.19 3.54 -1.29 1.11 0.11 -1.26 -4.93 120.40 117.87 2rkd s VAL 572 Ca 0.31 1.17 -0.18 0.00 -2.93 0.00 0.00 61.98 60.35 2rkd s VAL 572 Cb -0.08 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2rkd s VAL 572 CO -0.06 0.13 1.83 -3.20 -3.33 0.00 0.00 175.10 170.47 2rkd n ASN 573 N 3.37 4.47 0.25 3.54 2.85 -1.26 -4.78 115.26 123.69 2rkd n ASN 573 Ca 0.08 -2.87 0.11 0.00 -0.11 0.00 0.00 54.58 51.79 2rkd n ASN 573 Cb 0.44 -1.72 0.67 0.00 1.24 0.00 0.00 39.78 40.41 2rkd n ASN 573 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2rkd h VAL 574 N 5.45 0.73 -0.11 3.44 2.07 -1.94 -1.70 116.25 124.19 2rkd h VAL 574 Ca 0.43 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2rkd h VAL 574 Cb 0.85 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2rkd h VAL 574 CO 1.49 0.13 -0.05 -0.33 0.02 0.00 0.00 177.57 178.83 2rkd h GLU 575 N 0.00 0.22 0.00 1.57 4.39 -1.97 -2.04 114.58 116.75 2rkd h GLU 575 Ca -0.00 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.43 2rkd h GLU 575 Cb 0.32 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2rkd h GLU 575 CO 0.02 0.56 -0.82 0.93 -1.16 0.00 0.00 179.01 178.54 2rkd h GLU 576 N -0.13 0.00 -0.58 2.33 5.08 -1.92 -1.65 114.58 117.71 2rkd h GLU 576 Ca 0.02 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2rkd h GLU 576 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2rkd h GLU 576 CO 0.01 0.82 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.73 2rkd h LEU 577 N 0.00 1.03 -2.59 1.33 3.38 -1.31 -3.25 115.31 113.90 2rkd h LEU 577 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2rkd h LEU 577 Cb 1.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2rkd h LEU 577 CO 0.11 1.10 0.00 0.49 0.09 0.00 0.00 178.44 180.23 2rkd n PHE 578 N -4.16 0.50 -2.08 1.13 3.72 -0.77 -2.61 117.46 113.18 2rkd n PHE 578 Ca 0.02 -0.40 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 2rkd n PHE 578 Cb 0.37 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 2rkd n PHE 578 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2rkd s GLY 579 N -1.05 2.33 -0.12 1.37 0.00 -0.62 -4.88 107.32 104.35 2rkd s GLY 579 Ca 0.29 1.25 0.01 0.00 0.00 0.00 0.00 44.72 46.26 2rkd s GLY 579 CO 0.21 2.22 -0.14 -0.26 0.00 0.00 0.00 173.10 175.13 2rkd s ILE 580 N 0.10 1.48 -0.17 0.90 -4.36 -1.26 -4.56 121.20 113.33 2rkd s ILE 580 Ca 0.59 -0.61 -0.08 0.00 -0.26 0.00 0.00 60.65 60.29 2rkd s ILE 580 Cb -0.40 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 2rkd s ILE 580 CO 0.41 0.44 0.11 -0.55 0.24 0.00 0.00 174.94 175.58 2rkd s SER 581 N 1.20 6.03 0.17 4.36 0.15 -1.26 -5.00 113.70 119.34 2rkd s SER 581 Ca -0.02 0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.72 2rkd s SER 581 Cb -0.14 -2.02 0.07 0.00 -1.71 0.00 0.00 66.02 62.23 2rkd s SER 581 CO -0.05 0.24 1.80 0.50 1.20 0.00 0.00 173.24 176.93 2rkd h LYS 582 N 6.23 0.52 -0.33 5.44 3.64 -1.98 -1.73 116.57 128.36 2rkd h LYS 582 Ca -0.43 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.97 2rkd h LYS 582 Cb 1.17 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.83 2rkd h LYS 582 CO 0.69 0.34 0.05 0.93 -2.27 0.00 0.00 179.45 179.20 2rkd h GLU 583 N 0.53 0.16 -0.47 1.90 3.07 -1.96 0.84 114.58 118.64 2rkd h GLU 583 Ca 0.19 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2rkd h GLU 583 Cb 0.03 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2rkd h GLU 583 CO -0.09 0.10 0.19 0.35 -1.40 0.00 0.00 179.01 178.16 2rkd h PHE 584 N 0.16 0.72 0.00 4.33 3.57 -1.93 -2.99 116.94 120.80 2rkd h PHE 584 Ca 0.16 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 2rkd h PHE 584 Cb 0.19 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2rkd h PHE 584 CO -0.19 0.61 -0.78 -1.49 -2.23 0.00 0.00 178.31 174.23 2rkd h TRP 585 N 0.62 0.00 -0.42 0.41 4.06 -1.03 0.19 115.95 119.78 2rkd h TRP 585 Ca 0.16 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.17 2rkd h TRP 585 Cb 0.20 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.30 2rkd h TRP 585 CO 0.00 0.78 0.11 0.93 -3.56 0.00 0.00 178.44 176.70 2rkd h GLU 586 N 0.00 0.25 -0.40 0.49 5.08 -0.85 0.09 114.58 119.24 2rkd h GLU 586 Ca -0.01 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 2rkd h GLU 586 Cb 1.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2rkd h GLU 586 CO 0.10 0.16 -0.30 0.87 -1.00 0.00 0.00 179.01 178.85 2rkd h LYS 587 N 0.25 0.91 0.29 2.33 1.57 -1.35 -2.46 116.57 118.11 2rkd h LYS 587 Ca 0.20 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2rkd h LYS 587 Cb 0.23 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2rkd h LYS 587 CO -0.24 1.10 -0.19 1.49 -0.57 0.00 0.00 179.45 181.03 2rkd h GLU 588 N 0.73 -0.45 -0.33 3.15 4.57 -0.69 -1.90 114.58 119.65 2rkd h GLU 588 Ca 0.08 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2rkd h GLU 588 Cb 0.88 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 2rkd h GLU 588 CO 0.08 -0.30 -0.11 -0.24 -1.18 0.00 0.00 179.01 177.26 2rkd h VAL 589 N -0.47 1.24 -0.45 0.32 3.04 -1.03 -1.85 116.25 117.05 2rkd h VAL 589 Ca -0.03 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.61 2rkd h VAL 589 Cb 0.40 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.76 2rkd h VAL 589 CO 0.02 0.35 0.26 -0.08 -1.01 0.00 0.00 177.57 177.11 2rkd h GLU 590 N 0.53 0.62 -0.01 4.17 4.57 -1.28 -0.69 114.58 122.49 2rkd h GLU 590 Ca 0.10 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 2rkd h GLU 590 Cb 0.51 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2rkd h GLU 590 CO 0.03 0.47 -0.76 1.05 -1.18 0.00 0.00 179.01 178.62 2rkd h GLU 591 N 0.60 0.08 -0.41 1.92 -0.00 -1.04 -1.82 114.58 113.90 2rkd h GLU 591 Ca 0.16 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.44 2rkd h GLU 591 Cb 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.77 2rkd h GLU 591 CO -0.03 0.80 0.25 0.82 -0.00 0.00 0.00 179.01 180.85 2rkd h ILE 592 N 0.05 1.13 -0.11 -1.06 2.04 -1.24 -0.32 117.51 118.00 2rkd h ILE 592 Ca -0.02 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.57 2rkd h ILE 592 Cb 1.34 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2rkd h ILE 592 CO 0.11 0.13 -0.10 -0.78 0.00 0.00 0.00 178.15 177.51 2rkd h ASP 593 N 0.54 -0.30 -0.52 1.72 3.58 -0.93 -0.09 116.42 120.42 2rkd h ASP 593 Ca 0.15 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 2rkd h ASP 593 Cb 0.00 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2rkd h ASP 593 CO -0.03 -0.13 0.22 0.11 -2.88 0.00 0.00 179.24 176.53 2rkd h LYS 594 N -0.12 0.76 0.26 0.28 1.79 -1.23 -1.54 116.57 116.78 2rkd h LYS 594 Ca 0.08 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2rkd h LYS 594 Cb 0.22 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2rkd h LYS 594 CO -0.18 0.65 -0.13 -0.92 -1.08 0.00 0.00 179.45 177.80 2rkd h TYR 595 N 0.69 -0.32 -0.70 -1.35 3.20 -0.70 -1.43 116.97 116.36 2rkd h TYR 595 Ca 0.17 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.05 2rkd h TYR 595 Cb 0.16 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2rkd h TYR 595 CO 0.00 -0.19 0.46 -0.07 -1.64 0.00 0.00 178.16 176.71 2rkd h LEU 596 N -0.36 0.78 -0.23 2.82 3.38 -0.98 0.18 115.31 120.90 2rkd h LEU 596 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2rkd h LEU 596 Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2rkd h LEU 596 CO 0.06 0.56 0.14 -0.08 0.09 0.00 0.00 178.44 179.21 2rkd h GLU 597 N 0.92 0.31 0.57 1.13 4.81 -1.16 0.37 114.58 121.53 2rkd h GLU 597 Ca 0.26 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2rkd h GLU 597 Cb -0.08 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.24 2rkd h GLU 597 CO -0.07 0.25 -0.27 0.22 -0.73 0.00 0.00 179.01 178.41 2rkd h ASP 598 N 0.29 -0.65 1.02 1.04 -0.00 -1.09 -2.29 116.42 114.74 2rkd h ASP 598 Ca 0.08 -0.04 -0.20 0.00 -0.00 0.00 0.00 57.03 56.88 2rkd h ASP 598 Cb 0.02 0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 39.49 2rkd h ASP 598 CO -0.02 -0.29 -0.93 1.56 -0.00 0.00 0.00 179.24 179.56 2rkd h GLN 599 N -1.04 0.00 0.00 0.28 1.08 -0.66 -0.86 115.11 113.91 2rkd h GLN 599 Ca -0.08 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.83 2rkd h GLN 599 Cb 0.65 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 2rkd h GLN 599 CO 0.13 0.93 -2.09 0.28 -0.95 0.00 0.00 178.83 177.13 2rkd n VAL 600 N -3.36 1.09 0.00 -0.54 0.31 0.08 -4.59 118.33 111.31 2rkd n VAL 600 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2rkd n VAL 600 Cb 0.90 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 2rkd n VAL 600 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2rkd n ASN 601 N -2.89 0.00 0.27 4.52 5.15 -0.86 -1.40 115.26 120.06 2rkd n ASN 601 Ca -0.31 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 53.85 2rkd n ASN 601 Cb 0.92 0.00 0.89 0.00 -0.53 0.00 0.00 39.78 41.05 2rkd n ASN 601 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rkd h ALA 602 N -0.73 1.00 -0.51 5.20 0.00 -1.86 -2.79 119.26 119.57 2rkd h ALA 602 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rkd h ALA 602 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rkd h ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2rkd n ASP 603 N -2.87 3.10 -4.67 0.00 8.00 -0.49 -4.91 116.55 114.71 2rkd n ASP 603 Ca -0.01 -1.97 -0.43 0.00 0.71 0.00 0.00 54.79 53.09 2rkd n ASP 603 Cb 0.15 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 2rkd n ASP 603 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2rkd s LEU 604 N -1.16 4.21 0.56 0.64 2.96 -1.06 -4.36 118.68 120.48 2rkd s LEU 604 Ca 0.39 1.75 -0.21 0.00 -0.22 0.00 0.00 54.13 55.84 2rkd s LEU 604 Cb 0.21 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2rkd s LEU 604 CO 0.28 -0.73 1.28 -2.84 -1.32 0.00 0.00 176.35 173.02 2rkd s PRO 605 N 3.22 3.09 0.25 0.98 0.02 -1.26 -4.88 135.00 136.42 2rkd s PRO 605 Ca 0.56 2.03 -0.04 0.00 0.02 0.00 0.00 61.00 63.57 2rkd s PRO 605 Cb -0.23 -2.12 0.46 0.00 0.02 0.00 0.00 34.50 32.63 2rkd s PRO 605 CO 0.17 -1.16 1.74 -0.92 -0.33 0.00 0.00 177.00 176.50 2rkd h TYR 606 N 1.25 0.59 0.00 6.54 3.20 -1.99 -1.34 116.97 125.22 2rkd h TYR 606 Ca -0.51 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.34 2rkd h TYR 606 Cb 1.30 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2rkd h TYR 606 CO 0.46 0.11 -0.30 0.93 -1.64 0.00 0.00 178.16 177.73 2rkd h GLU 607 N 0.51 0.00 -0.10 1.82 5.08 -1.98 0.16 114.58 120.06 2rkd h GLU 607 Ca 0.42 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.67 2rkd h GLU 607 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2rkd h GLU 607 CO -0.37 0.30 -0.37 0.82 -1.00 0.00 0.00 179.01 178.38 2rkd h ILE 608 N 0.00 1.39 -0.75 3.13 1.08 -1.61 -0.83 117.51 119.92 2rkd h ILE 608 Ca -0.00 -1.71 0.08 0.00 -0.39 0.00 0.00 64.86 62.84 2rkd h ILE 608 Cb 0.56 2.19 -0.06 0.00 -3.07 0.00 0.00 36.82 36.43 2rkd h ILE 608 CO 0.04 0.50 0.42 -0.33 -0.69 0.00 0.00 178.15 178.10 2rkd h GLU 609 N 0.00 0.73 -0.59 2.37 5.08 -1.21 -1.02 114.58 119.94 2rkd h GLU 609 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2rkd h GLU 609 Cb 1.00 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2rkd h GLU 609 CO 0.08 0.48 0.21 -0.09 -1.00 0.00 0.00 179.01 178.69 2rkd h ARG 610 N 0.75 0.90 -0.66 2.33 2.43 -0.87 -0.28 114.38 118.98 2rkd h ARG 610 Ca 0.35 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2rkd h ARG 610 Cb 0.27 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2rkd h ARG 610 CO -0.22 0.79 0.26 0.93 -1.51 0.00 0.00 179.97 180.22 2rkd h GLU 611 N 0.83 0.98 -0.19 0.20 4.39 -0.79 0.26 114.58 120.26 2rkd h GLU 611 Ca 0.19 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 2rkd h GLU 611 Cb 0.24 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2rkd h GLU 611 CO -0.01 0.81 0.06 1.25 -1.16 0.00 0.00 179.01 179.96 2rkd h LEU 612 N 0.96 0.27 -0.30 1.33 5.85 -0.88 -0.98 115.31 121.57 2rkd h LEU 612 Ca 0.22 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2rkd h LEU 612 Cb 0.20 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2rkd h LEU 612 CO -0.02 0.40 0.07 0.03 -0.34 0.00 0.00 178.44 178.58 2rkd h ARG 613 N 0.14 0.17 -0.47 1.25 3.08 -0.76 -1.70 114.38 116.09 2rkd h ARG 613 Ca 0.06 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2rkd h ARG 613 Cb 0.22 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2rkd h ARG 613 CO -0.00 0.12 0.25 0.00 -1.07 0.00 0.00 179.97 179.26 2rkd h ALA 614 N 1.21 0.60 -0.19 0.04 0.00 -0.80 -0.37 119.26 119.74 2rkd h ALA 614 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2rkd h ALA 614 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2rkd h ALA 614 CO -0.17 -0.09 0.07 1.25 0.00 0.00 0.00 179.25 180.31 2rkd h LEU 615 N 0.49 0.27 -1.09 0.00 5.85 -1.00 -0.35 115.31 119.47 2rkd h LEU 615 Ca 0.20 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2rkd h LEU 615 Cb 0.09 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2rkd h LEU 615 CO -0.13 0.37 0.62 0.50 -0.34 0.00 0.00 178.44 179.45 2rkd h LYS 616 N 0.15 0.99 -0.20 1.25 3.11 -1.04 -1.26 116.57 119.58 2rkd h LYS 616 Ca 0.06 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 2rkd h LYS 616 Cb 0.19 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.19 2rkd h LYS 616 CO -0.00 0.65 -0.13 0.37 -2.81 0.00 0.00 179.45 177.53 2rkd h GLN 617 N 1.02 0.44 -0.68 1.90 5.75 -0.55 -1.54 115.11 121.44 2rkd h GLN 617 Ca 0.44 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 2rkd h GLN 617 Cb 0.34 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2rkd h GLN 617 CO -0.20 0.75 0.39 0.00 -2.65 0.00 0.00 178.83 177.13 2rkd h ARG 618 N 0.12 0.94 -0.49 1.69 3.08 -0.74 -2.41 114.38 116.57 2rkd h ARG 618 Ca 0.04 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2rkd h ARG 618 Cb 0.64 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2rkd h ARG 618 CO 0.04 0.69 0.12 0.82 -1.07 0.00 0.00 179.97 180.56 2rkd h ILE 619 N 0.93 1.21 0.00 2.04 2.04 -1.22 -2.57 117.51 119.94 2rkd h ILE 619 Ca 0.24 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2rkd h ILE 619 Cb 0.01 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2rkd h ILE 619 CO -0.04 0.28 0.00 0.77 0.00 0.00 0.00 178.15 179.16 2rkd h SER 620 N 0.72 0.00 -0.01 1.72 4.64 -0.77 -2.94 113.55 116.92 2rkd h SER 620 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2rkd h SER 620 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2rkd h SER 620 CO -0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 175.55 2rkd n GLN 621 N -2.94 1.34 0.00 4.77 1.13 -0.97 -5.10 117.38 115.61 2rkd n GLN 621 Ca -0.01 -1.10 0.15 0.00 -1.94 0.00 0.00 57.00 54.10 2rkd n GLN 621 Cb 0.18 -1.48 0.84 0.00 0.11 0.00 0.00 30.24 29.89 2rkd n GLN 621 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62