#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekd n SER 3 N 0.00 0.07 0.13 0.53 2.88 -1.26 -4.78 113.62 111.19 2ekd n SER 3 Ca 0.00 0.21 0.12 0.00 -1.33 0.00 0.00 58.87 57.87 2ekd n SER 3 Cb 0.00 0.12 0.13 0.00 -0.75 0.00 0.00 64.21 63.71 2ekd n SER 3 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ekd h GLU 4 N 0.00 0.00 0.00 -1.46 4.39 -2.01 -3.25 114.58 112.24 2ekd h GLU 4 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2ekd h GLU 4 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2ekd h GLU 4 CO 0.00 0.00 -0.18 0.87 -1.16 0.00 0.00 179.01 178.54 2ekd h LYS 5 N 0.00 0.00 0.55 2.33 1.79 -2.00 -3.21 116.57 116.02 2ekd h LYS 5 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2ekd h LYS 5 Cb 0.93 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.58 2ekd h LYS 5 CO 0.00 0.18 -0.26 0.35 -1.08 0.00 0.00 179.45 178.64 2ekd h PHE 6 N 0.00 -0.68 0.00 -1.35 3.57 -1.88 -2.65 116.94 113.95 2ekd h PHE 6 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2ekd h PHE 6 Cb 0.76 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 2ekd h PHE 6 CO 0.00 -0.39 -0.00 0.74 -2.23 0.00 0.00 178.31 176.43 2ekd h PHE 7 N -0.82 0.00 0.00 0.41 0.04 -1.75 -1.31 116.94 113.51 2ekd h PHE 7 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 2ekd h PHE 7 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2ekd h PHE 7 CO -0.02 0.00 0.00 0.87 -0.60 0.00 0.00 178.31 178.56 2ekd h LYS 8 N 0.00 0.00 0.00 1.51 1.79 -1.48 -2.01 116.57 116.38 2ekd h LYS 8 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ekd h LYS 8 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2ekd h LYS 8 CO 0.00 0.00 0.00 -0.07 -1.08 0.00 0.00 179.45 178.30 2ekd h LEU 9 N 0.00 0.00 -9.27 2.94 3.38 -1.22 -3.44 115.31 107.70 2ekd h LEU 9 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2ekd h LEU 9 Cb 0.35 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.96 2ekd h LEU 9 CO 0.00 0.00 -0.74 -0.36 0.09 0.00 0.00 178.44 177.43 2ekd s PHE 10 N -3.92 2.32 0.16 1.13 0.08 -0.76 -4.87 117.98 112.12 2ekd s PHE 10 Ca -0.03 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 56.71 2ekd s PHE 10 Cb 0.11 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 2ekd s PHE 10 CO 0.44 0.68 0.03 1.03 -0.10 0.00 0.00 175.22 177.29 2ekd s ARG 11 N -3.54 2.53 0.44 0.44 0.52 -1.26 -5.01 118.95 113.07 2ekd s ARG 11 Ca 0.31 -1.01 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 2ekd s ARG 11 Cb -0.03 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.91 2ekd s ARG 11 CO 0.15 0.47 1.40 0.28 0.02 0.00 0.00 175.30 177.63 2ekd n VAL 12 N -0.06 2.72 0.00 3.52 0.31 -1.26 -1.79 118.33 121.77 2ekd n VAL 12 Ca -0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2ekd n VAL 12 Cb 0.55 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 2ekd n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekd n GLY 13 N 0.62 1.62 3.79 2.92 0.00 0.57 -4.79 105.19 109.92 2ekd n GLY 13 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2ekd n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ekd s GLU 14 N -0.60 2.73 -0.20 1.61 2.02 -0.74 -0.35 118.70 123.17 2ekd s GLU 14 Ca 0.00 1.17 0.01 0.00 0.02 0.00 0.00 54.97 56.17 2ekd s GLU 14 Cb 0.00 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.32 2ekd s GLU 14 CO 0.00 -1.28 -0.12 0.99 0.02 0.00 0.00 175.26 174.87 2ekd s THR 15 N -2.74 1.77 -0.22 3.63 2.01 -1.26 -2.21 115.64 116.62 2ekd s THR 15 Ca 0.62 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 2ekd s THR 15 Cb -0.17 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2ekd s THR 15 CO 0.49 0.22 0.08 -0.69 -0.69 0.00 0.00 174.62 174.03 2ekd s VAL 16 N 1.35 4.61 -0.29 3.82 1.01 0.24 -1.74 120.40 129.40 2ekd s VAL 16 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 2ekd s VAL 16 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2ekd s VAL 16 CO -0.09 0.39 0.38 -0.22 0.00 0.00 0.00 175.10 175.55 2ekd s LEU 17 N 1.05 4.15 -0.40 3.92 2.96 0.01 0.54 118.68 130.90 2ekd s LEU 17 Ca 0.04 0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.99 2ekd s LEU 17 Cb -0.14 -2.41 0.05 0.00 0.50 0.00 0.00 46.19 44.19 2ekd s LEU 17 CO 0.03 -0.24 0.24 -0.69 -1.32 0.00 0.00 176.35 174.37 2ekd s VAL 18 N 2.07 4.45 -0.13 1.68 1.01 0.96 -0.26 120.40 130.18 2ekd s VAL 18 Ca 0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 2ekd s VAL 18 Cb -0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2ekd s VAL 18 CO 0.11 -0.37 0.32 -1.61 0.00 0.00 0.00 175.10 173.55 2ekd s GLU 19 N 1.50 4.16 0.32 2.72 2.02 0.10 -1.25 118.70 128.27 2ekd s GLU 19 Ca 0.02 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.16 2ekd s GLU 19 Cb -0.21 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 2ekd s GLU 19 CO 0.05 0.34 0.44 1.52 0.02 0.00 0.00 175.26 177.62 2ekd s TYR 20 N 0.14 1.04 0.35 1.61 -0.85 -0.99 -0.56 117.35 118.09 2ekd s TYR 20 Ca 0.19 -1.26 0.05 0.00 -0.52 0.00 0.00 57.07 55.52 2ekd s TYR 20 Cb -0.14 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.04 2ekd s TYR 20 CO 0.06 -1.07 0.18 -1.54 -1.52 0.00 0.00 175.55 171.67 2ekd s SER 21 N -3.22 2.05 0.62 -0.18 1.04 -1.26 -0.61 113.70 112.14 2ekd s SER 21 Ca 0.31 -1.66 0.34 0.00 0.48 0.00 0.00 55.95 55.42 2ekd s SER 21 Cb 0.00 0.49 1.96 0.00 0.10 0.00 0.00 66.02 68.57 2ekd s SER 21 CO 0.19 -0.96 2.22 1.23 0.98 0.00 0.00 173.24 176.90 2ekd h GLY 22 N 2.03 0.00 -1.91 7.32 0.00 -2.00 -1.49 103.07 107.02 2ekd h GLY 22 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2ekd h GLY 22 CO 0.49 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.73 2ekd n THR 23 N -3.49 0.29 0.12 4.70 -2.24 -1.26 -4.38 114.28 108.01 2ekd n THR 23 Ca -0.02 -0.59 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 2ekd n THR 23 Cb 0.17 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 2ekd n THR 23 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2ekd h SER 24 N 4.15 0.00 -5.59 3.42 0.02 -1.65 -3.48 113.55 110.42 2ekd h SER 24 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2ekd h SER 24 Cb 0.90 0.00 0.18 0.00 0.14 0.00 0.00 62.40 63.62 2ekd h SER 24 CO 0.00 0.70 -0.83 0.54 -1.14 0.00 0.00 176.83 176.10 2ekd n ARG 25 N -3.45 -4.04 0.30 3.45 1.74 -1.26 -4.86 116.66 108.55 2ekd n ARG 25 Ca 0.00 0.83 0.18 0.00 -0.77 0.00 0.00 57.85 58.09 2ekd n ARG 25 Cb 0.75 -5.74 0.95 0.00 -1.02 0.00 0.00 32.46 27.39 2ekd n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ekd h ALA 26 N 0.39 1.16 -0.16 7.54 0.00 -1.92 -2.50 119.26 123.76 2ekd h ALA 26 Ca -0.60 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.32 2ekd h ALA 26 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2ekd h ALA 26 CO 0.47 0.04 0.12 1.05 0.00 0.00 0.00 179.25 180.94 2ekd h GLU 27 N 0.00 0.00 -0.86 0.00 9.09 -1.93 -0.85 114.58 120.04 2ekd h GLU 27 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2ekd h GLU 27 Cb 0.19 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.24 2ekd h GLU 27 CO 0.00 0.00 0.51 -0.07 0.05 0.00 0.00 179.01 179.50 2ekd h LEU 28 N 0.00 1.05 -0.55 3.06 3.38 -1.80 0.13 115.31 120.57 2ekd h LEU 28 Ca 0.08 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2ekd h LEU 28 Cb 0.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2ekd h LEU 28 CO -0.00 0.82 -0.63 0.25 0.09 0.00 0.00 178.44 178.97 2ekd h LEU 29 N 1.19 0.41 -0.20 1.67 5.85 -1.36 -2.19 115.31 120.68 2ekd h LEU 29 Ca 0.31 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2ekd h LEU 29 Cb -0.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2ekd h LEU 29 CO -0.06 0.93 0.04 0.25 -0.34 0.00 0.00 178.44 179.27 2ekd h LEU 30 N 0.26 0.30 -0.45 2.25 5.85 -0.83 -1.66 115.31 121.03 2ekd h LEU 30 Ca -0.01 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2ekd h LEU 30 Cb 1.16 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2ekd h LEU 30 CO 0.10 0.46 0.08 0.22 -0.34 0.00 0.00 178.44 178.97 2ekd h TYR 31 N 0.13 0.13 -0.49 1.25 3.20 -0.68 -0.87 116.97 119.64 2ekd h TYR 31 Ca 0.06 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.01 2ekd h TYR 31 Cb 0.28 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 2ekd h TYR 31 CO 0.01 -0.01 0.22 -0.92 -1.64 0.00 0.00 178.16 175.83 2ekd h TYR 32 N 0.21 0.40 -0.58 -3.82 3.20 -1.13 0.20 116.97 115.45 2ekd h TYR 32 Ca 0.22 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 2ekd h TYR 32 Cb 0.29 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2ekd h TYR 32 CO -0.22 0.17 0.08 0.82 -1.64 0.00 0.00 178.16 177.38 2ekd h ILE 33 N 0.43 1.26 -0.16 1.81 2.04 -0.59 -1.49 117.51 120.82 2ekd h ILE 33 Ca 0.23 -1.00 -0.18 0.00 1.00 0.00 0.00 64.86 64.90 2ekd h ILE 33 Cb 0.18 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2ekd h ILE 33 CO -0.19 0.37 -0.62 0.58 0.00 0.00 0.00 178.15 178.29 2ekd h VAL 34 N 0.86 1.31 -0.00 1.67 2.07 -0.85 -2.68 116.25 118.63 2ekd h VAL 34 Ca 0.17 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2ekd h VAL 34 Cb 0.43 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2ekd h VAL 34 CO 0.01 0.58 -0.03 -3.20 0.02 0.00 0.00 177.57 174.95 2ekd n ASN 35 N -4.08 0.04 -0.00 0.57 5.15 0.68 -3.69 115.26 113.92 2ekd n ASN 35 Ca -0.07 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 2ekd n ASN 35 Cb 0.66 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2ekd n ASN 35 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ekd n ASN 36 N -1.48 1.21 -4.69 1.20 3.02 -0.56 -5.01 115.26 108.94 2ekd n ASN 36 Ca 0.07 -1.20 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 2ekd n ASN 36 Cb 0.33 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 2ekd n ASN 36 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2ekd s SER 37 N -0.21 7.18 0.06 6.41 0.15 -1.01 -4.90 113.70 121.37 2ekd s SER 37 Ca 0.00 1.44 0.09 0.00 0.70 0.00 0.00 55.95 58.18 2ekd s SER 37 Cb 0.00 -2.52 -0.22 0.00 -1.71 0.00 0.00 66.02 61.57 2ekd s SER 37 CO 0.00 -0.38 1.05 0.11 1.20 0.00 0.00 173.24 175.23 2ekd h LYS 38 N 7.07 0.00 -7.37 5.44 6.56 -1.92 -3.46 116.57 122.89 2ekd h LYS 38 Ca -0.33 -0.01 -0.49 0.00 -1.06 0.00 0.00 60.65 58.76 2ekd h LYS 38 Cb 1.16 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 32.95 2ekd h LYS 38 CO 0.82 0.82 0.29 -0.51 -2.06 0.00 0.00 179.45 178.82 2ekd s LEU 39 N -6.49 2.44 0.51 2.94 1.43 -1.26 -5.00 118.68 113.24 2ekd s LEU 39 Ca -0.01 1.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.28 2ekd s LEU 39 Cb 0.09 -3.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 2ekd s LEU 39 CO 0.82 -2.31 1.25 -2.84 0.23 0.00 0.00 176.35 173.50 2ekd s PRO 40 N -5.04 3.43 -0.21 1.29 0.02 -1.26 -4.73 135.00 128.51 2ekd s PRO 40 Ca 0.62 1.96 -0.07 0.00 0.02 0.00 0.00 61.00 63.53 2ekd s PRO 40 Cb -0.16 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 2ekd s PRO 40 CO 0.56 -0.87 0.06 0.42 -0.33 0.00 0.00 177.00 176.83 2ekd s ILE 41 N -1.46 4.47 -0.20 2.83 -1.09 -1.26 -1.09 121.20 123.41 2ekd s ILE 41 Ca 0.68 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.98 2ekd s ILE 41 Cb -0.33 -3.05 0.04 0.00 -1.58 0.00 0.00 42.46 37.54 2ekd s ILE 41 CO 0.40 0.40 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.73 2ekd s VAL 42 N 1.00 1.52 -0.18 2.92 1.01 -0.68 -2.38 120.40 123.60 2ekd s VAL 42 Ca 0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 2ekd s VAL 42 Cb -0.14 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2ekd s VAL 42 CO 0.03 0.12 0.17 -0.69 0.00 0.00 0.00 175.10 174.73 2ekd s VAL 43 N 1.44 5.39 -0.45 2.92 1.01 -0.33 -3.00 120.40 127.39 2ekd s VAL 43 Ca -0.02 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2ekd s VAL 43 Cb -0.16 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.76 2ekd s VAL 43 CO -0.08 0.45 0.39 -1.81 0.00 0.00 0.00 175.10 174.06 2ekd s ASP 44 N 0.19 6.15 -0.51 3.32 1.01 -0.05 -0.72 116.67 126.05 2ekd s ASP 44 Ca 0.11 -1.04 -0.16 0.00 0.71 0.00 0.00 52.55 52.17 2ekd s ASP 44 Cb -0.12 -2.19 0.10 0.00 1.01 0.00 0.00 42.92 41.72 2ekd s ASP 44 CO 0.00 -0.60 0.48 -0.62 0.21 0.00 0.00 175.17 174.64 2ekd s ASP 45 N 2.18 6.17 -0.20 0.27 2.15 -0.25 -1.48 116.67 125.52 2ekd s ASP 45 Ca 0.07 -1.49 -0.18 0.00 0.43 0.00 0.00 52.55 51.37 2ekd s ASP 45 Cb -0.21 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2ekd s ASP 45 CO 0.09 -0.78 0.52 -0.63 -0.17 0.00 0.00 175.17 174.20 2ekd s ILE 46 N 1.78 5.11 -1.27 4.11 1.01 -0.64 -4.44 121.20 126.85 2ekd s ILE 46 Ca 0.05 0.95 -0.14 0.00 0.00 0.00 0.00 60.65 61.51 2ekd s ILE 46 Cb -0.26 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2ekd s ILE 46 CO 0.06 0.18 0.60 0.18 0.00 0.00 0.00 174.94 175.95 2ekd n LEU 47 N 4.79 -2.17 -2.52 2.97 4.77 -1.26 -2.36 117.00 121.21 2ekd n LEU 47 Ca -0.05 -1.06 -0.14 0.00 -0.03 0.00 0.00 56.01 54.73 2ekd n LEU 47 Cb 0.50 -2.19 -0.00 0.00 -2.33 0.00 0.00 43.42 39.40 2ekd n LEU 47 CO 0.42 0.50 -0.16 0.47 -1.33 0.00 0.00 177.39 177.30 2ekd n ASP 48 N -2.74 -4.19 0.12 -1.43 8.00 -1.26 -4.84 116.55 110.21 2ekd n ASP 48 Ca -0.19 0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.41 2ekd n ASP 48 Cb 0.63 -3.54 0.08 0.00 -0.02 0.00 0.00 41.12 38.28 2ekd n ASP 48 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2ekd h THR 49 N -0.12 1.35 -0.51 -3.53 2.02 -1.78 -3.09 112.91 107.25 2ekd h THR 49 Ca -0.33 -2.47 -0.07 0.00 0.77 0.00 0.00 66.41 64.31 2ekd h THR 49 Cb 1.24 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 70.02 2ekd h THR 49 CO 0.39 0.67 0.05 0.22 0.37 0.00 0.00 175.52 177.22 2ekd h TYR 50 N 0.00 0.88 -0.65 3.16 3.20 -1.89 -2.27 116.97 119.41 2ekd h TYR 50 Ca -0.01 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2ekd h TYR 50 Cb 1.33 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2ekd h TYR 50 CO 0.00 0.78 0.32 -0.92 -1.64 0.00 0.00 178.16 176.70 2ekd h TYR 51 N 0.79 0.90 -0.14 -3.82 3.20 -1.83 -0.36 116.97 115.71 2ekd h TYR 51 Ca 0.16 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2ekd h TYR 51 Cb 0.40 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2ekd h TYR 51 CO 0.02 0.65 -0.05 0.93 -1.64 0.00 0.00 178.16 178.07 2ekd h GLU 52 N 0.91 0.28 -0.40 1.82 5.08 -1.41 0.33 114.58 121.19 2ekd h GLU 52 Ca 0.23 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2ekd h GLU 52 Cb 0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2ekd h GLU 52 CO -0.03 0.59 0.23 0.74 -1.00 0.00 0.00 179.01 179.54 2ekd h PHE 53 N -0.04 0.44 0.22 4.33 -1.00 -1.24 -2.05 116.94 117.61 2ekd h PHE 53 Ca 0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2ekd h PHE 53 Cb 0.50 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 2ekd h PHE 53 CO 0.06 0.25 -0.21 -0.92 -1.61 0.00 0.00 178.31 175.88 2ekd h TYR 54 N 0.47 -0.55 -0.54 -0.55 3.20 -0.97 -1.57 116.97 116.46 2ekd h TYR 54 Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2ekd h TYR 54 Cb 0.01 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2ekd h TYR 54 CO -0.07 -0.31 0.31 1.79 -1.64 0.00 0.00 178.16 178.23 2ekd h THR 55 N -0.46 1.16 -0.44 1.81 1.35 -0.82 -0.28 112.91 115.23 2ekd h THR 55 Ca -0.00 -0.38 -0.08 0.00 -0.55 0.00 0.00 66.41 65.39 2ekd h THR 55 Cb 0.43 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2ekd h THR 55 CO -0.04 0.17 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.27 2ekd h ARG 56 N 0.75 0.80 -0.46 4.72 2.43 -1.09 -1.16 114.38 120.37 2ekd h ARG 56 Ca 0.19 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 2ekd h ARG 56 Cb -0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2ekd h ARG 56 CO -0.03 0.89 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.00 2ekd h LEU 57 N 0.64 0.99 -0.36 3.80 3.38 -0.86 -1.84 115.31 121.06 2ekd h LEU 57 Ca 0.12 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2ekd h LEU 57 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ekd h LEU 57 CO 0.03 1.18 0.23 0.50 0.09 0.00 0.00 178.44 180.47 2ekd h LYS 58 N 0.82 0.49 -0.06 1.13 3.64 -0.90 -1.47 116.57 120.22 2ekd h LYS 58 Ca 0.10 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2ekd h LYS 58 Cb 0.82 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2ekd h LYS 58 CO 0.07 0.35 -0.23 0.28 -2.27 0.00 0.00 179.45 177.64 2ekd h VAL 59 N 0.48 1.20 0.00 2.00 2.07 -1.13 -1.24 116.25 119.63 2ekd h VAL 59 Ca 0.13 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2ekd h VAL 59 Cb -0.03 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2ekd h VAL 59 CO -0.03 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.83 2ekd n ALA 60 N -2.49 2.11 -0.42 1.67 0.00 -0.64 -4.87 120.51 115.87 2ekd n ALA 60 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2ekd n ALA 60 Cb 0.31 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2ekd n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekd n GLY 61 N 0.52 0.77 3.82 0.00 0.00 -0.47 -5.07 105.19 104.77 2ekd n GLY 61 Ca 0.10 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2ekd n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ekd s PHE 62 N -2.00 3.30 -0.49 1.61 0.40 -0.68 -4.99 117.98 115.15 2ekd s PHE 62 Ca 0.00 1.58 -0.29 0.00 -0.60 0.00 0.00 56.93 57.62 2ekd s PHE 62 Cb 0.00 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.70 2ekd s PHE 62 CO 0.00 -0.24 1.13 0.34 0.70 0.00 0.00 175.22 177.15 2ekd s ASP 63 N -2.34 6.61 0.00 1.36 2.15 -1.26 -4.57 116.67 118.61 2ekd s ASP 63 Ca 0.62 0.41 0.18 0.00 0.43 0.00 0.00 52.55 54.19 2ekd s ASP 63 Cb -0.10 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.49 2ekd s ASP 63 CO 0.17 -1.26 1.43 1.33 -0.17 0.00 0.00 175.17 176.67 2ekd n VAL 64 N 6.82 0.72 -0.35 1.11 0.24 -1.26 -4.35 118.33 121.26 2ekd n VAL 64 Ca 0.11 -0.74 0.08 0.00 -2.04 0.00 0.00 64.34 61.75 2ekd n VAL 64 Cb 0.49 0.42 0.27 0.00 -1.47 0.00 0.00 33.84 33.55 2ekd n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ekd h ALA 65 N 4.08 1.58 -0.21 2.33 0.00 -2.00 0.38 119.26 125.43 2ekd h ALA 65 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ekd h ALA 65 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2ekd h ALA 65 CO 0.00 0.16 0.14 -1.35 0.00 0.00 0.00 179.25 178.20 2ekd h PRO 66 N 0.93 0.27 -0.01 0.00 0.11 -2.00 -1.70 132.00 129.61 2ekd h PRO 66 Ca 0.50 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.44 2ekd h PRO 66 Cb 0.57 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2ekd h PRO 66 CO -0.27 0.18 -0.72 -0.07 -0.21 0.00 0.00 178.00 176.91 2ekd h LEU 67 N 0.28 0.08 -0.13 2.35 3.38 -1.24 -3.16 115.31 116.87 2ekd h LEU 67 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ekd h LEU 67 Cb -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ekd h LEU 67 CO -0.02 0.77 0.00 -0.33 0.09 0.00 0.00 178.44 178.95 2ekd h GLU 68 N 0.04 0.00 -0.02 1.13 5.08 -0.89 -3.30 114.58 116.62 2ekd h GLU 68 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ekd h GLU 68 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2ekd h GLU 68 CO 0.10 0.00 -0.26 0.09 -1.00 0.00 0.00 179.01 177.93 2ekd n ASN 69 N -2.45 2.19 -4.87 1.42 3.02 -0.98 -3.64 115.26 109.94 2ekd n ASN 69 Ca 0.05 -1.60 -0.31 0.00 -0.03 0.00 0.00 54.58 52.69 2ekd n ASN 69 Cb 0.42 0.25 0.01 0.00 -0.61 0.00 0.00 39.78 39.86 2ekd n ASN 69 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2ekd s VAL 70 N -2.29 4.54 0.25 2.41 -7.23 -1.24 -4.78 120.40 112.05 2ekd s VAL 70 Ca 0.24 0.79 -0.19 0.00 -1.81 0.00 0.00 61.98 61.00 2ekd s VAL 70 Cb 0.19 -3.81 -0.08 0.00 0.56 0.00 0.00 36.38 33.24 2ekd s VAL 70 CO 0.46 -1.06 0.74 -1.10 -0.31 0.00 0.00 175.10 173.84 2ekd s GLN 71 N -5.18 4.23 -0.00 4.82 -0.21 -1.00 -1.05 119.66 121.26 2ekd s GLN 71 Ca 0.55 0.87 0.01 0.00 0.02 0.00 0.00 55.36 56.81 2ekd s GLN 71 Cb -0.11 -2.80 -0.00 0.00 1.00 0.00 0.00 33.01 31.10 2ekd s GLN 71 CO 0.53 0.35 -0.03 0.08 -2.12 0.00 0.00 175.29 174.10 2ekd s VAL 72 N -1.61 0.25 -0.30 1.09 1.01 0.14 -1.19 120.40 119.80 2ekd s VAL 72 Ca 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 2ekd s VAL 72 Cb -0.16 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.05 2ekd s VAL 72 CO 0.20 0.07 -0.01 -0.63 0.00 0.00 0.00 175.10 174.74 2ekd s ILE 73 N -0.06 2.98 0.00 2.22 1.01 0.10 -0.29 121.20 127.16 2ekd s ILE 73 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.31 2ekd s ILE 73 Cb -0.01 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.76 2ekd s ILE 73 CO -0.00 -0.08 0.00 0.29 0.00 0.00 0.00 174.94 175.15 2ekd n LYS 74 N 4.63 0.84 0.00 2.79 5.02 0.00 -1.09 118.16 130.35 2ekd n LYS 74 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2ekd n LYS 74 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 2ekd n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ekd n GLY 76 N 5.00 0.00 0.02 0.72 0.00 -0.28 -0.25 105.19 110.40 2ekd n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ekd n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ekd n GLY 77 N 0.00 -2.56 0.00 -0.02 0.00 -1.26 -4.41 105.19 96.94 2ekd n GLY 77 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2ekd n GLY 77 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ekd n THR 78 N -2.08 0.26 -3.63 2.61 -2.24 -1.26 -4.91 114.28 103.02 2ekd n THR 78 Ca -0.00 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 2ekd n THR 78 Cb 0.01 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 2ekd n THR 78 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ekd s LYS 79 N -0.26 2.53 -0.06 -0.78 -0.14 -1.26 -5.07 119.74 114.70 2ekd s LYS 79 Ca 0.00 -1.50 -0.25 0.00 -1.36 0.00 0.00 55.97 52.86 2ekd s LYS 79 Cb 0.00 -3.74 -0.03 0.00 -1.68 0.00 0.00 37.83 32.38 2ekd s LYS 79 CO 0.00 -0.96 0.78 -0.51 -0.76 0.00 0.00 175.35 173.90 2ekd s ASP 80 N 2.07 7.07 -0.01 2.83 1.01 -1.26 -4.74 116.67 123.65 2ekd s ASP 80 Ca 0.03 1.29 0.01 0.00 0.71 0.00 0.00 52.55 54.59 2ekd s ASP 80 Cb -0.23 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2ekd s ASP 80 CO 0.01 -0.18 -0.02 -0.63 0.21 0.00 0.00 175.17 174.56 2ekd s ILE 81 N 1.02 0.17 0.00 0.77 -1.09 -1.26 -5.06 121.20 115.75 2ekd s ILE 81 Ca 0.41 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2ekd s ILE 81 Cb -0.18 -0.17 0.00 0.00 -1.58 0.00 0.00 42.46 40.53 2ekd s ILE 81 CO 0.20 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 2ekd n GLY 82 N 3.22 -1.94 3.31 6.18 0.00 -1.26 -4.67 105.19 110.02 2ekd n GLY 82 Ca -0.15 -1.47 -0.46 0.00 0.00 0.00 0.00 46.02 43.94 2ekd n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ekd s ARG 83 N 0.00 2.96 -0.33 1.61 0.52 -0.22 -4.93 118.95 118.55 2ekd s ARG 83 Ca 0.00 -1.69 -0.29 0.00 -0.52 0.00 0.00 55.73 53.23 2ekd s ARG 83 Cb 0.00 -4.27 -0.01 0.00 0.52 0.00 0.00 34.95 31.19 2ekd s ARG 83 CO 0.00 -1.31 1.65 0.08 0.02 0.00 0.00 175.30 175.74 2ekd s VAL 84 N 1.59 3.65 -2.17 3.52 1.01 -1.26 0.24 120.40 126.98 2ekd s VAL 84 Ca 0.03 0.67 0.24 0.00 0.00 0.00 0.00 61.98 62.92 2ekd s VAL 84 Cb -0.29 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.35 2ekd s VAL 84 CO 0.03 -0.50 1.22 2.30 0.00 0.00 0.00 175.10 178.15 2ekd n ILE 85 N 7.14 0.00 -3.59 2.22 -5.35 0.60 -4.89 119.36 115.50 2ekd n ILE 85 Ca 0.20 -0.28 -0.09 0.00 -0.27 0.00 0.00 62.75 62.32 2ekd n ILE 85 Cb 0.47 1.13 -0.05 0.00 -1.74 0.00 0.00 39.64 39.45 2ekd n ILE 85 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ekd s GLY 86 N -2.38 -0.20 -0.01 3.28 0.00 -1.21 -4.99 107.32 101.81 2ekd s GLY 86 Ca 0.22 2.18 0.04 0.00 0.00 0.00 0.00 44.72 47.15 2ekd s GLY 86 CO 0.51 1.04 -0.12 0.50 0.00 0.00 0.00 173.10 175.02 2ekd s ARG 87 N -1.12 0.99 -0.02 2.90 0.52 -1.26 -0.81 118.95 120.15 2ekd s ARG 87 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2ekd s ARG 87 Cb -0.01 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.51 2ekd s ARG 87 CO -0.00 0.26 -0.07 -0.51 0.02 0.00 0.00 175.30 175.00 2ekd s LEU 88 N -0.33 1.78 0.32 2.53 1.43 0.66 -4.96 118.68 120.10 2ekd s LEU 88 Ca 0.05 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 2ekd s LEU 88 Cb -0.05 -0.42 -0.09 0.00 0.03 0.00 0.00 46.19 45.66 2ekd s LEU 88 CO -0.00 0.04 0.80 0.20 0.23 0.00 0.00 176.35 177.63 2ekd s ASN 89 N 0.20 6.96 -0.24 2.29 0.02 -1.26 -1.13 114.94 121.78 2ekd s ASN 89 Ca -0.02 1.48 -0.12 0.00 -1.02 0.00 0.00 52.86 53.18 2ekd s ASN 89 Cb -0.07 -2.45 -0.05 0.00 0.02 0.00 0.00 41.25 38.70 2ekd s ASN 89 CO 0.00 -0.15 0.22 -0.63 0.02 0.00 0.00 177.10 176.56 2ekd s ILE 90 N -1.84 5.32 -0.07 0.60 1.01 -1.26 -4.55 121.20 120.40 2ekd s ILE 90 Ca 0.52 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.49 2ekd s ILE 90 Cb -0.13 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2ekd s ILE 90 CO 0.18 0.31 -0.08 -0.55 0.00 0.00 0.00 174.94 174.80 2ekd s SER 91 N 1.13 1.57 -1.40 3.58 0.15 0.12 -4.69 113.70 114.16 2ekd s SER 91 Ca 0.10 -0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.43 2ekd s SER 91 Cb -0.14 -0.68 0.06 0.00 -1.71 0.00 0.00 66.02 63.55 2ekd s SER 91 CO 0.06 -0.04 0.61 0.29 1.20 0.00 0.00 173.24 175.36 2ekd n LYS 92 N 4.18 -4.07 -2.61 5.44 5.02 -1.26 -1.81 118.16 123.06 2ekd n LYS 92 Ca -0.21 0.58 -0.20 0.00 -2.02 0.00 0.00 58.31 56.47 2ekd n LYS 92 Cb 0.51 -5.35 0.01 0.00 -0.02 0.00 0.00 35.03 30.17 2ekd n LYS 92 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2ekd n TYR 93 N -4.20 -1.28 -4.01 2.13 4.01 -1.26 -4.91 117.16 107.63 2ekd n TYR 93 Ca -0.02 0.20 -0.10 0.00 -0.16 0.00 0.00 57.90 57.82 2ekd n TYR 93 Cb 0.55 -3.94 -0.05 0.00 -0.31 0.00 0.00 39.34 35.59 2ekd n TYR 93 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2ekd s VAL 94 N -3.03 0.00 0.34 -0.72 -7.23 -0.75 -4.82 120.40 104.20 2ekd s VAL 94 Ca 0.11 -1.45 0.10 0.00 -1.81 0.00 0.00 61.98 58.93 2ekd s VAL 94 Cb -0.05 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 2ekd s VAL 94 CO 0.14 0.00 -0.10 0.27 -0.31 0.00 0.00 175.10 175.10 2ekd s ILE 95 N -3.86 2.24 -0.46 -0.62 -4.36 -1.26 -0.71 121.20 112.16 2ekd s ILE 95 Ca 0.24 -2.21 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 2ekd s ILE 95 Cb -0.00 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 41.08 2ekd s ILE 95 CO 0.11 -0.21 1.38 -0.55 0.24 0.00 0.00 174.94 175.91 2ekd s SER 96 N -3.61 6.30 0.44 4.36 0.15 -1.26 -4.87 113.70 115.21 2ekd s SER 96 Ca 0.32 0.63 0.15 0.00 0.70 0.00 0.00 55.95 57.75 2ekd s SER 96 Cb 0.02 -2.54 0.99 0.00 -1.71 0.00 0.00 66.02 62.78 2ekd s SER 96 CO 0.16 -1.50 1.96 -0.33 1.20 0.00 0.00 173.24 174.74 2ekd h GLU 97 N 10.66 0.00 -0.21 5.44 5.08 -1.98 -1.00 114.58 132.57 2ekd h GLU 97 Ca -0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 2ekd h GLU 97 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2ekd h GLU 97 CO 1.12 0.22 -0.03 1.96 -1.00 0.00 0.00 179.01 181.28 2ekd h GLN 98 N 0.00 0.39 -0.39 2.33 7.50 -2.06 -2.88 115.11 120.00 2ekd h GLN 98 Ca -0.00 -0.14 -0.09 0.00 0.50 0.00 0.00 58.65 58.92 2ekd h GLN 98 Cb 0.40 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.89 2ekd h GLN 98 CO 0.03 0.62 -0.14 1.49 -1.50 0.00 0.00 178.83 179.33 2ekd h GLU 99 N 0.13 0.70 -1.17 1.46 4.81 -1.89 -2.43 114.58 116.18 2ekd h GLU 99 Ca 0.06 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2ekd h GLU 99 Cb 0.46 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2ekd h GLU 99 CO 0.02 0.81 0.00 0.98 -0.73 0.00 0.00 179.01 180.08 2ekd n TYR 100 N -4.16 0.00 0.00 0.92 9.36 -0.41 -0.99 117.16 121.88 2ekd n TYR 100 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 2ekd n TYR 100 Cb 0.37 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 2ekd n TYR 100 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2ekd n GLU 102 N 0.78 0.00 -0.21 2.98 2.13 -0.92 -1.36 120.64 124.04 2ekd n GLU 102 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 2ekd n GLU 102 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2ekd n GLU 102 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2ekd h ILE 103 N 0.00 1.22 -0.00 6.31 2.04 -1.35 -2.63 117.51 123.10 2ekd h ILE 103 Ca 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2ekd h ILE 103 Cb 0.00 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ekd h ILE 103 CO 0.00 0.25 -0.01 1.33 0.00 0.00 0.00 178.15 179.72 2ekd n VAL 104 N -4.51 0.00 0.31 1.67 0.24 -0.47 -3.47 118.33 112.10 2ekd n VAL 104 Ca 0.03 -0.01 0.17 0.00 -2.04 0.00 0.00 64.34 62.49 2ekd n VAL 104 Cb 0.14 -0.44 0.73 0.00 -1.47 0.00 0.00 33.84 32.80 2ekd n VAL 104 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2ekd h SER 105 N 0.11 0.00 1.39 -1.34 4.64 -1.73 -2.22 113.55 114.40 2ekd h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ekd h SER 105 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2ekd h SER 105 CO 0.00 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.02 2ekd h GLN 106 N 0.00 0.00 -6.60 4.77 3.07 -1.73 -3.44 115.11 111.18 2ekd h GLN 106 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 2ekd h GLN 106 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2ekd h GLN 106 CO 0.00 0.00 0.49 -0.51 0.09 0.00 0.00 178.83 178.90 2ekd s LEU 107 N -5.39 4.45 0.00 0.06 1.43 -0.84 -4.92 118.68 113.48 2ekd s LEU 107 Ca 0.06 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 2ekd s LEU 107 Cb 0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2ekd s LEU 107 CO 0.57 -0.28 0.42 0.29 0.23 0.00 0.00 176.35 177.58 2ekd n LYS 108 N 2.82 0.34 -3.51 1.70 5.02 -1.26 -4.92 118.16 118.35 2ekd n LYS 108 Ca 0.04 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.51 2ekd n LYS 108 Cb 0.47 -0.63 -0.07 0.00 -0.02 0.00 0.00 35.03 34.78 2ekd n LYS 108 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ekd n ASP 109 N -0.07 4.23 -4.92 4.39 -0.08 -1.26 -5.07 116.55 113.77 2ekd n ASP 109 Ca 0.00 -3.30 -0.29 0.00 -1.51 0.00 0.00 54.79 49.69 2ekd n ASP 109 Cb 0.33 -0.91 -0.04 0.00 2.34 0.00 0.00 41.12 42.84 2ekd n ASP 109 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2ekd s TYR 110 N -2.01 3.49 0.75 -0.67 2.02 -1.26 -4.42 117.35 115.25 2ekd s TYR 110 Ca 0.32 0.37 -0.10 0.00 -0.37 0.00 0.00 57.07 57.29 2ekd s TYR 110 Cb 0.03 -1.87 0.07 0.00 -0.40 0.00 0.00 41.96 39.79 2ekd s TYR 110 CO -0.06 0.43 1.10 -1.25 -1.57 0.00 0.00 175.55 174.20 2ekd s PRO 111 N -3.02 2.15 0.17 -1.71 0.04 -1.26 -5.11 135.00 126.26 2ekd s PRO 111 Ca 0.38 -0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.47 2ekd s PRO 111 Cb -0.12 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2ekd s PRO 111 CO 0.28 -1.38 -0.13 0.14 0.04 0.00 0.00 177.00 175.95 2ekd s VAL 112 N -3.41 1.48 -0.24 -0.36 -7.23 -0.44 -4.25 120.40 105.95 2ekd s VAL 112 Ca 0.61 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.51 2ekd s VAL 112 Cb -0.11 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2ekd s VAL 112 CO 0.47 -0.63 0.42 -0.63 -0.31 0.00 0.00 175.10 174.41 2ekd s ILE 113 N -3.02 5.16 -0.71 -0.62 -1.09 -0.25 -2.09 121.20 118.58 2ekd s ILE 113 Ca 0.19 0.70 -0.03 0.00 -2.23 0.00 0.00 60.65 59.28 2ekd s ILE 113 Cb 0.00 -3.74 0.18 0.00 -1.58 0.00 0.00 42.46 37.32 2ekd s ILE 113 CO 0.04 0.17 0.55 0.21 -1.23 0.00 0.00 174.94 174.68 2ekd s ASN 114 N 1.40 5.47 0.16 3.58 3.04 0.58 -1.69 114.94 127.48 2ekd s ASN 114 Ca 0.18 -3.13 -0.30 0.00 0.04 0.00 0.00 52.86 49.65 2ekd s ASN 114 Cb -0.15 -1.87 -0.07 0.00 -1.54 0.00 0.00 41.25 37.61 2ekd s ASN 114 CO 0.09 -0.31 1.10 -2.84 -3.04 0.00 0.00 177.10 172.10 2ekd s PRO 115 N -0.47 4.58 -0.17 0.43 0.02 -1.16 -1.33 135.00 136.90 2ekd s PRO 115 Ca 0.20 1.71 0.01 0.00 0.02 0.00 0.00 61.00 62.94 2ekd s PRO 115 Cb -0.16 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 31.08 2ekd s PRO 115 CO -0.06 0.04 -0.20 0.08 -0.33 0.00 0.00 177.00 176.52 2ekd s VAL 116 N -0.05 2.15 0.02 3.83 1.01 -0.20 -0.87 120.40 126.29 2ekd s VAL 116 Ca 0.50 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.64 2ekd s VAL 116 Cb -0.29 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2ekd s VAL 116 CO 0.34 0.54 -0.25 -0.76 0.00 0.00 0.00 175.10 174.97 2ekd s LEU 117 N 1.09 2.22 0.00 3.92 1.43 -0.55 -0.94 118.68 125.85 2ekd s LEU 117 Ca -0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2ekd s LEU 117 Cb -0.14 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2ekd s LEU 117 CO -0.08 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.39 2ekd n GLY 118 N 1.97 0.65 0.32 -3.19 0.00 -1.25 -1.62 105.19 102.07 2ekd n GLY 118 Ca -0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 2ekd n GLY 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ekd h LEU 119 N 0.00 0.93 -1.85 0.99 5.85 -1.86 -1.68 115.31 117.69 2ekd h LEU 119 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2ekd h LEU 119 Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2ekd h LEU 119 CO 0.00 0.66 0.00 1.12 -0.34 0.00 0.00 178.44 179.88 2ekd h HIS 120 N 1.09 0.00 -0.33 1.25 2.07 -1.91 -1.14 115.15 116.19 2ekd h HIS 120 Ca 0.32 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.69 2ekd h HIS 120 Cb -0.07 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.91 2ekd h HIS 120 CO -0.02 0.00 -0.37 0.87 -3.07 0.00 0.00 177.93 175.34 2ekd h LYS 121 N 0.00 0.83 -0.23 5.12 1.57 -1.71 -0.87 116.57 121.28 2ekd h LYS 121 Ca 0.00 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 2ekd h LYS 121 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2ekd h LYS 121 CO 0.00 1.09 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.76 2ekd h LEU 122 N 0.61 0.37 -0.06 2.94 3.38 -1.29 -2.55 115.31 118.70 2ekd h LEU 122 Ca 0.05 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2ekd h LEU 122 Cb 0.96 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.62 2ekd h LEU 122 CO 0.09 0.54 -0.40 0.40 0.09 0.00 0.00 178.44 179.16 2ekd h ILE 123 N 0.36 1.42 -0.03 1.22 2.04 -1.36 -2.62 117.51 118.53 2ekd h ILE 123 Ca 0.07 -1.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2ekd h ILE 123 Cb 0.47 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2ekd h ILE 123 CO 0.03 0.53 -0.02 0.25 0.00 0.00 0.00 178.15 178.94 2ekd h LEU 124 N -0.10 0.04 0.06 1.44 5.85 -1.06 -2.90 115.31 118.63 2ekd h LEU 124 Ca -0.03 -0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.44 2ekd h LEU 124 Cb 1.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2ekd h LEU 124 CO 0.08 0.06 -1.20 -0.07 -0.34 0.00 0.00 178.44 176.98 2ekd h LEU 125 N 0.04 0.19-10.63 2.25 3.38 -1.44 -3.48 115.31 105.62 2ekd h LEU 125 Ca 0.01 -0.22 -0.46 0.00 0.09 0.00 0.00 57.88 57.30 2ekd h LEU 125 Cb 0.06 -0.06 0.06 0.00 0.09 0.00 0.00 40.66 40.81 2ekd h LEU 125 CO 0.00 1.17 0.03 -0.83 0.09 0.00 0.00 178.44 178.90 2ekd s GLY 126 N -4.75 1.78 0.27 0.83 0.00 -0.99 -5.09 107.32 99.37 2ekd s GLY 126 Ca -0.02 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.04 2ekd s GLY 126 CO 0.85 -1.20 0.37 1.16 0.00 0.00 0.00 173.10 174.28 2ekd n ASN 127 N -2.59 0.59 -0.06 1.64 0.23 -1.26 -4.81 115.26 109.00 2ekd n ASN 127 Ca 0.13 -1.48 -0.08 0.00 -0.53 0.00 0.00 54.58 52.62 2ekd n ASN 127 Cb 0.60 -0.23 -0.02 0.00 -2.08 0.00 0.00 39.78 38.05 2ekd n ASN 127 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2ekd h THR 128 N -0.36 0.96 -0.48 5.53 2.02 -1.98 0.11 112.91 118.70 2ekd h THR 128 Ca -0.12 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.04 2ekd h THR 128 Cb 0.48 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2ekd h THR 128 CO 0.14 0.04 0.16 0.15 0.37 0.00 0.00 175.52 176.38 2ekd h PHE 129 N 0.23 0.28 -0.14 3.16 3.57 -2.00 -1.03 116.94 121.01 2ekd h PHE 129 Ca 0.11 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2ekd h PHE 129 Cb 0.06 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2ekd h PHE 129 CO -0.11 0.09 -0.44 0.93 -2.23 0.00 0.00 178.31 176.54 2ekd h GLU 130 N 0.33 0.33 -0.49 1.11 5.08 -1.84 -2.82 114.58 116.29 2ekd h GLU 130 Ca 0.23 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2ekd h GLU 130 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2ekd h GLU 130 CO -0.24 0.72 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.57 2ekd h ASN 131 N 0.27 0.79 -0.67 1.42 -0.26 -0.06 -2.11 115.58 114.95 2ekd h ASN 131 Ca 0.02 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.50 2ekd h ASN 131 Cb 0.89 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.92 2ekd h ASN 131 CO 0.07 0.86 0.18 0.40 -1.06 0.00 0.00 177.43 177.88 2ekd h ILE 132 N 0.76 1.26 -0.07 2.81 2.04 -1.02 -1.74 117.51 121.55 2ekd h ILE 132 Ca 0.15 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 2ekd h ILE 132 Cb 0.46 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2ekd h ILE 132 CO 0.02 0.35 -0.22 0.78 0.00 0.00 0.00 178.15 179.08 2ekd h ASN 133 N 1.00 0.11 -0.25 1.72 2.35 -1.22 0.55 115.58 119.83 2ekd h ASN 133 Ca 0.21 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 2ekd h ASN 133 Cb 0.34 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2ekd h ASN 133 CO -0.00 0.34 -0.07 0.58 -1.65 0.00 0.00 177.43 176.62 2ekd h VAL 134 N 0.10 1.29 -0.43 2.81 2.07 -0.76 -2.81 116.25 118.52 2ekd h VAL 134 Ca 0.02 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 2ekd h VAL 134 Cb 0.45 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2ekd h VAL 134 CO 0.03 0.34 0.01 0.58 0.02 0.00 0.00 177.57 178.55 2ekd h VAL 135 N 0.23 1.23 0.00 2.57 2.07 -0.92 -2.19 116.25 119.24 2ekd h VAL 135 Ca 0.06 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2ekd h VAL 135 Cb 0.55 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2ekd h VAL 135 CO 0.03 0.32 0.00 1.17 0.02 0.00 0.00 177.57 179.11 2ekd n LYS 136 N -4.24 0.04 0.00 1.57 4.81 0.15 -0.87 118.16 119.62 2ekd n LYS 136 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2ekd n LYS 136 Cb 0.28 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 34.00 2ekd n LYS 136 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ekd n VAL 138 N 0.81 0.00 0.24 3.15 0.31 -0.83 -1.46 118.33 120.56 2ekd n VAL 138 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2ekd n VAL 138 Cb 0.02 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 33.55 2ekd n VAL 138 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2ekd h SER 139 N 0.00 0.00 0.14 4.52 4.64 -1.30 -2.99 113.55 118.56 2ekd h SER 139 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2ekd h SER 139 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ekd h SER 139 CO 0.00 0.17 -0.06 0.78 -0.87 0.00 0.00 176.83 176.85 2ekd h ASN 140 N 0.00 0.00 -0.01 4.97 2.35 -1.51 -2.74 115.58 118.64 2ekd h ASN 140 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ekd h ASN 140 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2ekd h ASN 140 CO 0.02 0.06 -0.60 -1.22 -1.65 0.00 0.00 177.43 174.05 2ekd n TYR 141 N -3.92 0.00 -1.67 1.19 4.01 -1.13 -4.96 117.16 110.68 2ekd n TYR 141 Ca -0.03 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.24 2ekd n TYR 141 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2ekd n TYR 141 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2ekd n VAL 142 N -0.57 0.15 0.00 -0.72 0.31 -1.03 -1.89 118.33 114.58 2ekd n VAL 142 Ca 0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2ekd n VAL 142 Cb 0.37 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2ekd n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ekd n GLY 143 N 3.63 0.97 3.62 2.92 0.00 0.53 -5.03 105.19 111.83 2ekd n GLY 143 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2ekd n GLY 143 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ekd s ARG 144 N -0.84 3.69 0.00 1.61 1.70 -0.79 -4.68 118.95 119.63 2ekd s ARG 144 Ca 0.00 1.55 0.09 0.00 -0.47 0.00 0.00 55.73 56.91 2ekd s ARG 144 Cb 0.00 -4.06 0.52 0.00 -0.57 0.00 0.00 34.95 30.84 2ekd s ARG 144 CO 0.00 -1.42 1.09 0.39 -1.08 0.00 0.00 175.30 174.28 2ekd n GLU 145 N 7.84 0.22 0.20 3.89 1.02 -1.26 -2.76 120.64 129.79 2ekd n GLU 145 Ca 0.19 0.09 0.14 0.00 -0.02 0.00 0.00 57.16 57.57 2ekd n GLU 145 Cb 0.46 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 30.98 2ekd n GLU 145 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ekd h GLU 146 N 0.00 0.00 0.00 3.49 3.07 -1.95 -3.40 114.58 115.78 2ekd h GLU 146 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 2ekd h GLU 146 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2ekd h GLU 146 CO 0.00 0.00 0.29 2.89 -1.40 0.00 0.00 179.01 180.79 2ekd n ARG 147 N -2.62 0.89 -3.89 2.33 0.00 -1.11 -1.33 116.66 110.94 2ekd n ARG 147 Ca 0.01 -1.79 -0.28 0.00 -0.00 0.00 0.00 57.85 55.79 2ekd n ARG 147 Cb 0.25 2.26 -0.16 0.00 -0.00 0.00 0.00 32.46 34.81 2ekd n ARG 147 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2ekd s ILE 148 N -2.21 1.12 -0.08 8.89 1.01 -0.89 -0.32 121.20 128.73 2ekd s ILE 148 Ca 0.15 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 2ekd s ILE 148 Cb -0.04 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 2ekd s ILE 148 CO 0.09 0.09 0.32 0.00 0.00 0.00 0.00 174.94 175.44 2ekd s ALA 149 N 1.62 3.68 -0.34 9.38 0.00 -0.94 -0.30 121.76 134.86 2ekd s ALA 149 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.62 2ekd s ALA 149 Cb -0.16 -2.33 0.10 0.00 0.00 0.00 0.00 23.12 20.73 2ekd s ALA 149 CO -0.08 0.35 0.04 -0.06 0.00 0.00 0.00 175.76 176.01 2ekd s PHE 150 N -0.44 3.72 -0.50 0.00 0.40 -0.44 0.82 117.98 121.54 2ekd s PHE 150 Ca 0.20 -2.92 -0.25 0.00 -0.60 0.00 0.00 56.93 53.36 2ekd s PHE 150 Cb -0.14 -2.86 0.03 0.00 0.51 0.00 0.00 43.02 40.56 2ekd s PHE 150 CO 0.08 -0.94 0.93 0.71 0.70 0.00 0.00 175.22 176.69 2ekd s TYR 151 N 0.93 2.87 -0.40 0.36 1.51 0.19 -1.03 117.35 121.78 2ekd s TYR 151 Ca 0.09 0.23 -0.25 0.00 -1.01 0.00 0.00 57.07 56.12 2ekd s TYR 151 Cb -0.19 -4.00 0.02 0.00 -0.11 0.00 0.00 41.96 37.68 2ekd s TYR 151 CO -0.08 -1.19 0.90 -0.06 -1.11 0.00 0.00 175.55 174.01 2ekd s PHE 152 N 3.82 3.03 -0.04 2.71 0.40 -0.11 -0.03 117.98 127.76 2ekd s PHE 152 Ca 0.34 0.61 0.04 0.00 -0.60 0.00 0.00 56.93 57.32 2ekd s PHE 152 Cb -0.11 -3.72 -0.00 0.00 0.51 0.00 0.00 43.02 39.70 2ekd s PHE 152 CO 0.24 -0.91 -0.15 0.14 0.70 0.00 0.00 175.22 175.24 2ekd s VAL 153 N 3.51 1.23 -0.51 -0.44 -7.23 -0.38 -3.78 120.40 112.81 2ekd s VAL 153 Ca 0.37 -0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 59.65 2ekd s VAL 153 Cb -0.11 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.77 2ekd s VAL 153 CO 0.21 0.36 1.46 0.21 -0.31 0.00 0.00 175.10 177.03 2ekd s ASN 154 N 0.11 6.13 0.15 4.85 3.84 -1.26 -2.36 114.94 126.41 2ekd s ASN 154 Ca -0.04 0.51 -0.17 0.00 0.21 0.00 0.00 52.86 53.36 2ekd s ASN 154 Cb -0.11 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 38.11 2ekd s ASN 154 CO 0.02 -1.66 1.69 -0.09 -2.79 0.00 0.00 177.10 174.27 2ekd h ARG 155 N 11.26 0.05 -0.60 0.43 2.43 -1.22 -2.76 114.38 123.97 2ekd h ARG 155 Ca -0.27 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.86 2ekd h ARG 155 Cb 1.10 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2ekd h ARG 155 CO 1.14 0.03 0.24 -0.91 -1.51 0.00 0.00 179.97 178.97 2ekd h ASN 156 N 0.05 0.80 0.17 -3.80 2.35 -1.90 -1.15 115.58 112.10 2ekd h ASN 156 Ca 0.16 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2ekd h ASN 156 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2ekd h ASN 156 CO -0.31 0.71 -0.21 0.58 -1.65 0.00 0.00 177.43 176.55 2ekd h VAL 157 N 0.86 0.53 0.37 2.81 2.07 -1.86 0.58 116.25 121.61 2ekd h VAL 157 Ca 0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 2ekd h VAL 157 Cb 0.17 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2ekd h VAL 157 CO -0.02 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.79 2ekd h ILE 158 N -0.44 0.65 -0.60 4.57 2.04 -1.38 -2.27 117.51 120.08 2ekd h ILE 158 Ca 0.01 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.68 2ekd h ILE 158 Cb 0.43 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2ekd h ILE 158 CO -0.08 0.05 0.24 -0.08 0.00 0.00 0.00 178.15 178.28 2ekd h GLU 159 N -0.65 0.41 0.00 2.37 4.81 -1.16 0.35 114.58 120.71 2ekd h GLU 159 Ca -0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2ekd h GLU 159 Cb 0.47 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2ekd h GLU 159 CO 0.08 0.27 -0.04 0.87 -0.73 0.00 0.00 179.01 179.47 2ekd h LYS 160 N 0.43 0.00 0.09 1.92 1.57 -0.89 -2.30 116.57 117.38 2ekd h LYS 160 Ca 0.30 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.73 2ekd h LYS 160 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2ekd h LYS 160 CO -0.29 0.04 -1.94 1.58 -0.57 0.00 0.00 179.45 178.27 2ekd n HIS 161 N -3.13 1.06 -3.22 -1.35 -0.00 -0.68 -4.85 115.22 103.05 2ekd n HIS 161 Ca 0.01 0.26 -0.04 0.00 0.46 0.00 0.00 57.72 58.42 2ekd n HIS 161 Cb 0.39 -1.13 -0.03 0.00 -0.12 0.00 0.00 29.99 29.10 2ekd n HIS 161 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2ekd s SER 162 N -6.98 -0.83 0.33 0.26 0.15 0.12 -5.02 113.70 101.73 2ekd s SER 162 Ca -0.25 -1.09 0.06 0.00 0.70 0.00 0.00 55.95 55.37 2ekd s SER 162 Cb 0.07 1.58 0.71 0.00 -1.71 0.00 0.00 66.02 66.68 2ekd s SER 162 CO 0.71 -0.18 1.87 -1.28 1.20 0.00 0.00 173.24 175.56 2ekd h SER 163 N 6.84 0.76 -0.47 5.45 0.87 -1.54 -0.73 113.55 124.73 2ekd h SER 163 Ca 0.06 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2ekd h SER 163 Cb 1.14 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2ekd h SER 163 CO 0.12 0.40 0.28 -0.65 -0.53 0.00 0.00 176.83 176.46 2ekd h PRO 164 N 0.81 0.67 -0.39 2.24 0.11 -1.92 -2.45 132.00 131.08 2ekd h PRO 164 Ca 0.45 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.43 2ekd h PRO 164 Cb 0.59 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 2ekd h PRO 164 CO -0.22 0.48 -0.10 0.82 -0.21 0.00 0.00 178.00 178.77 2ekd h ILE 165 N 0.68 1.25 -0.62 4.15 1.08 -1.48 -2.39 117.51 120.17 2ekd h ILE 165 Ca 0.18 -1.09 -0.06 0.00 -0.39 0.00 0.00 64.86 63.50 2ekd h ILE 165 Cb -0.01 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 2ekd h ILE 165 CO -0.03 0.37 0.15 0.25 -0.69 0.00 0.00 178.15 178.19 2ekd h LEU 166 N 0.61 0.94 -1.12 1.44 5.85 -1.30 -1.98 115.31 119.75 2ekd h LEU 166 Ca 0.11 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2ekd h LEU 166 Cb 0.53 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ekd h LEU 166 CO 0.03 0.93 -0.15 0.44 -0.34 0.00 0.00 178.44 179.35 2ekd h ASP 167 N 0.91 0.42 -0.39 1.25 3.32 -1.32 -1.39 116.42 119.21 2ekd h ASP 167 Ca 0.19 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 2ekd h ASP 167 Cb 0.36 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2ekd h ASP 167 CO 0.00 0.60 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.96 2ekd h LEU 168 N 0.40 0.77 -0.18 1.55 3.38 -1.16 -2.11 115.31 117.94 2ekd h LEU 168 Ca 0.07 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ekd h LEU 168 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ekd h LEU 168 CO 0.03 0.95 0.10 -0.07 0.09 0.00 0.00 178.44 179.54 2ekd h LEU 169 N 0.57 0.23 -1.61 1.67 3.38 -1.09 -2.09 115.31 116.37 2ekd h LEU 169 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2ekd h LEU 169 Cb 0.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ekd h LEU 169 CO 0.04 0.25 0.04 -0.33 0.09 0.00 0.00 178.44 178.53 2ekd h GLU 170 N 0.19 0.29 -0.42 1.13 5.08 -1.21 -2.72 114.58 116.91 2ekd h GLU 170 Ca 0.06 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2ekd h GLU 170 Cb 0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2ekd h GLU 170 CO -0.01 0.28 -0.15 1.49 -1.00 0.00 0.00 179.01 179.62 2ekd h GLU 171 N 0.29 0.85 0.00 2.33 4.81 -0.91 -3.28 114.58 118.66 2ekd h GLU 171 Ca 0.07 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2ekd h GLU 171 Cb 0.13 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2ekd h GLU 171 CO -0.00 0.99 -0.11 -0.39 -0.73 0.00 0.00 179.01 178.76 2ekd h VAL 172 N 0.67 0.00 -3.74 0.32 -1.51 -1.10 -3.46 116.25 107.43 2ekd h VAL 172 Ca 0.10 -0.74 -0.49 0.00 -1.23 0.00 0.00 66.70 64.34 2ekd h VAL 172 Cb 0.70 1.68 0.05 0.00 -2.13 0.00 0.00 31.29 31.59 2ekd h VAL 172 CO 0.05 0.00 0.19 0.68 -1.23 0.00 0.00 177.57 177.26 2ekd s VAL 173 N -3.17 4.24 -0.13 7.19 -7.23 -1.05 -4.87 120.40 115.38 2ekd s VAL 173 Ca 0.08 0.20 0.18 0.00 -1.81 0.00 0.00 61.98 60.63 2ekd s VAL 173 Cb 0.09 -3.66 -0.21 0.00 0.56 0.00 0.00 36.38 33.16 2ekd s VAL 173 CO 0.65 -0.70 0.54 0.35 -0.31 0.00 0.00 175.10 175.63 2ekd n THR 174 N -2.50 0.99 -3.93 5.32 -2.24 -0.71 -4.95 114.28 106.27 2ekd n THR 174 Ca 0.03 -0.70 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 2ekd n THR 174 Cb 0.56 -0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 2ekd n THR 174 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ekd s SER 175 N -5.43 0.12 -0.06 3.42 0.01 -1.09 -3.82 113.70 106.85 2ekd s SER 175 Ca -0.06 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.94 2ekd s SER 175 Cb 0.09 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.44 2ekd s SER 175 CO 0.84 -0.21 -0.04 -0.63 0.41 0.00 0.00 173.24 173.61 2ekd s ILE 176 N -0.94 0.57 0.01 1.44 1.01 -0.44 -0.81 121.20 122.03 2ekd s ILE 176 Ca -0.10 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.50 2ekd s ILE 176 Cb -0.06 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 2ekd s ILE 176 CO -0.00 0.25 -0.16 -0.76 0.00 0.00 0.00 174.94 174.27 2ekd s LEU 177 N 1.16 2.70 -0.13 2.97 1.43 0.64 -1.15 118.68 126.30 2ekd s LEU 177 Ca -0.07 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2ekd s LEU 177 Cb -0.14 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2ekd s LEU 177 CO -0.01 0.28 -0.06 -0.70 0.23 0.00 0.00 176.35 176.09 2ekd s GLU 178 N -1.24 1.37 0.04 1.70 2.12 0.17 0.01 118.70 122.86 2ekd s GLU 178 Ca 0.14 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 2ekd s GLU 178 Cb -0.11 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.55 2ekd s GLU 178 CO 0.04 -0.34 1.07 0.42 -0.54 0.00 0.00 175.26 175.91 2ekd s ILE 179 N 1.72 4.49 0.24 -3.70 1.01 0.27 -0.67 121.20 124.55 2ekd s ILE 179 Ca 0.03 1.81 0.01 0.00 0.00 0.00 0.00 60.65 62.50 2ekd s ILE 179 Cb -0.14 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2ekd s ILE 179 CO -0.08 0.16 0.13 0.42 0.00 0.00 0.00 174.94 175.57 2ekd s THR 180 N 0.90 0.25 0.35 2.92 -4.23 -0.13 -4.78 115.64 110.92 2ekd s THR 180 Ca 0.54 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.28 2ekd s THR 180 Cb -0.25 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.27 2ekd s THR 180 CO 0.29 0.00 1.96 0.44 -0.54 0.00 0.00 174.62 176.77 2ekd h ASP 181 N 2.46 0.00 0.51 3.99 3.32 -1.96 -2.46 116.42 122.28 2ekd h ASP 181 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2ekd h ASP 181 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2ekd h ASP 181 CO 0.55 0.21 -0.31 -1.54 -1.72 0.00 0.00 179.24 176.43 2ekd n SER 182 N -3.73 0.51 0.00 6.45 3.41 -1.26 -5.04 113.62 113.96 2ekd n SER 182 Ca -0.01 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2ekd n SER 182 Cb 0.32 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2ekd n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ekd n GLY 183 N 1.44 0.97 3.52 5.00 0.00 -0.93 -4.88 105.19 110.32 2ekd n GLY 183 Ca 0.08 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2ekd n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ekd s ILE 184 N -2.55 5.06 -0.04 -0.61 1.01 0.59 -0.95 121.20 123.71 2ekd s ILE 184 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 2ekd s ILE 184 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2ekd s ILE 184 CO 0.00 0.12 0.84 -0.63 0.00 0.00 0.00 174.94 175.27 2ekd s ILE 185 N 1.70 4.96 -0.86 2.92 1.01 0.16 -1.37 121.20 129.71 2ekd s ILE 185 Ca 0.06 1.75 -0.18 0.00 0.00 0.00 0.00 60.65 62.28 2ekd s ILE 185 Cb -0.17 -4.18 0.14 0.00 0.01 0.00 0.00 42.46 38.27 2ekd s ILE 185 CO 0.09 0.20 1.00 -0.63 0.00 0.00 0.00 174.94 175.61 2ekd s ILE 186 N 0.94 4.91 0.17 2.92 1.01 -0.29 -0.66 121.20 130.19 2ekd s ILE 186 Ca 0.45 -1.65 0.18 0.00 0.00 0.00 0.00 60.65 59.62 2ekd s ILE 186 Cb -0.19 -4.68 0.11 0.00 0.01 0.00 0.00 42.46 37.71 2ekd s ILE 186 CO 0.23 -1.37 1.70 0.11 0.00 0.00 0.00 174.94 175.61 2ekd h LYS 187 N 8.68 0.00 -2.59 2.79 1.57 -1.45 0.17 116.57 125.74 2ekd h LYS 187 Ca 0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2ekd h LYS 187 Cb 1.04 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.11 2ekd h LYS 187 CO 1.03 0.41 -0.16 0.21 -0.57 0.00 0.00 179.45 180.38 2ekd s LYS 188 N -3.58 0.56 0.03 3.15 2.20 -1.16 -4.70 119.74 116.25 2ekd s LYS 188 Ca 0.00 0.65 -0.23 0.00 -0.36 0.00 0.00 55.97 56.03 2ekd s LYS 188 Cb 0.11 0.27 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 2ekd s LYS 188 CO 0.70 -0.07 0.52 0.45 -0.36 0.00 0.00 175.35 176.59 2ekd s SER 189 N 0.22 -0.44 0.57 1.43 0.15 -1.26 -1.33 113.70 113.05 2ekd s SER 189 Ca -0.00 0.22 0.36 0.00 0.70 0.00 0.00 55.95 57.22 2ekd s SER 189 Cb -0.03 0.48 1.58 0.00 -1.71 0.00 0.00 66.02 66.34 2ekd s SER 189 CO 0.01 -0.69 2.07 0.40 1.20 0.00 0.00 173.24 176.22 2ekd h ILE 190 N 2.88 0.04 -3.59 6.45 2.04 -1.90 -3.39 117.51 120.05 2ekd h ILE 190 Ca -0.30 -0.43 -0.65 0.00 1.00 0.00 0.00 64.86 64.48 2ekd h ILE 190 Cb 1.20 1.41 -0.15 0.00 -0.74 0.00 0.00 36.82 38.54 2ekd h ILE 190 CO 0.41 0.01 0.03 -0.54 0.00 0.00 0.00 178.15 178.07 2ekd s LYS 191 N -3.79 3.52 0.27 2.37 1.02 -1.26 -4.97 119.74 116.90 2ekd s LYS 191 Ca -0.00 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 2ekd s LYS 191 Cb 0.10 -3.85 0.50 0.00 -0.52 0.00 0.00 37.83 34.06 2ekd s LYS 191 CO 0.52 -0.77 1.81 -0.44 -0.92 0.00 0.00 175.35 175.56 2ekd h ASP 192 N 8.58 0.78 -0.09 2.83 3.32 -2.00 -3.11 116.42 126.73 2ekd h ASP 192 Ca -0.27 0.06 0.04 0.00 0.02 0.00 0.00 57.03 56.88 2ekd h ASP 192 Cb 1.11 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 2ekd h ASP 192 CO 0.82 0.41 -0.17 1.05 -1.72 0.00 0.00 179.24 179.63 2ekd h GLU 193 N 0.87 -0.23 0.00 3.56 4.11 -1.94 -3.09 114.58 117.86 2ekd h GLU 193 Ca 0.46 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2ekd h GLU 193 Cb 0.48 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ekd h GLU 193 CO -0.28 -0.15 0.00 -0.84 0.07 0.00 0.00 179.01 177.81 2ekd h ILE 194 N -0.24 0.00 -2.01 -1.06 3.07 -1.96 -3.46 117.51 111.86 2ekd h ILE 194 Ca 0.09 -0.51 -0.61 0.00 1.55 0.00 0.00 64.86 65.37 2ekd h ILE 194 Cb 0.36 1.49 0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2ekd h ILE 194 CO -0.23 0.00 1.13 0.00 -1.05 0.00 0.00 178.15 178.00 2ekd n ALA 195 N -2.07 0.93 0.00 0.16 0.00 -1.17 -0.64 120.51 117.73 2ekd n ALA 195 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2ekd n ALA 195 Cb 0.31 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2ekd n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ekd n GLY 196 N 4.53 1.77 3.83 0.00 0.00 0.60 -5.04 105.19 110.88 2ekd n GLY 196 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2ekd n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekd s LYS 197 N -0.81 3.95 -0.08 1.61 -0.14 0.19 -4.77 119.74 119.69 2ekd s LYS 197 Ca 0.00 1.06 0.03 0.00 -1.36 0.00 0.00 55.97 55.70 2ekd s LYS 197 Cb 0.00 -2.13 -0.02 0.00 -1.68 0.00 0.00 37.83 34.00 2ekd s LYS 197 CO 0.00 -0.27 -0.16 0.42 -0.76 0.00 0.00 175.35 174.58 2ekd s ILE 198 N -2.43 2.85 0.11 2.17 1.01 -1.26 -1.14 121.20 122.52 2ekd s ILE 198 Ca 0.61 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.56 2ekd s ILE 198 Cb -0.11 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2ekd s ILE 198 CO 0.26 0.56 -0.17 0.68 0.00 0.00 0.00 174.94 176.27 2ekd s VAL 199 N -0.22 1.50 -0.57 2.92 -7.23 -0.47 -4.91 120.40 111.42 2ekd s VAL 199 Ca 0.00 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2ekd s VAL 199 Cb -0.13 -1.51 0.23 0.00 0.56 0.00 0.00 36.38 35.53 2ekd s VAL 199 CO 0.03 -0.24 0.62 -1.20 -0.31 0.00 0.00 175.10 174.00 2ekd n SER 200 N 0.82 2.47 0.32 4.85 7.64 -1.26 -0.30 113.62 128.15 2ekd n SER 200 Ca -0.18 -3.15 0.21 0.00 1.01 0.00 0.00 58.87 56.77 2ekd n SER 200 Cb 0.55 -0.67 1.05 0.00 -1.01 0.00 0.00 64.21 64.13 2ekd n SER 200 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ekd h PRO 201 N 4.43 0.00 -0.00 1.43 0.13 -1.98 -2.45 132.00 133.56 2ekd h PRO 201 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ekd h PRO 201 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ekd h PRO 201 CO 0.69 0.00 -0.06 1.28 -0.23 0.00 0.00 178.00 179.69 2ekd n LEU 202 N -3.08 0.38 0.00 1.56 4.77 -1.26 -3.98 117.00 115.39 2ekd n LEU 202 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2ekd n LEU 202 Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2ekd n LEU 202 CO 0.22 0.07 0.22 0.18 -1.33 0.00 0.00 177.39 176.76