#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5m s GLY 2 N 0.00 1.58 0.05 0.00 0.00 -1.26 -5.10 107.32 102.59 3g5m s GLY 2 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.48 3g5m s GLY 2 CO 0.00 2.09 -0.11 0.54 0.00 0.00 0.00 173.10 175.62 3g5m s LYS 3 N 3.48 0.68 -0.07 2.90 -0.14 -1.26 -5.06 119.74 120.27 3g5m s LYS 3 Ca 0.40 -0.83 0.03 0.00 -1.36 0.00 0.00 55.97 54.21 3g5m s LYS 3 Cb -0.12 -0.58 -0.02 0.00 -1.68 0.00 0.00 37.83 35.42 3g5m s LYS 3 CO 0.16 0.12 -0.14 0.15 -0.76 0.00 0.00 175.35 174.89 3g5m s LYS 4 N -1.57 2.75 -0.06 1.68 1.02 -1.26 -1.07 119.74 121.22 3g5m s LYS 4 Ca -0.05 -0.70 0.05 0.00 0.02 0.00 0.00 55.97 55.29 3g5m s LYS 4 Cb -0.10 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3g5m s LYS 4 CO 0.01 0.51 -0.22 0.08 -0.92 0.00 0.00 175.35 174.81 3g5m s VAL 5 N -0.42 1.85 -0.15 3.17 1.01 0.83 -0.55 120.40 126.13 3g5m s VAL 5 Ca 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3g5m s VAL 5 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3g5m s VAL 5 CO 0.02 0.52 -0.01 -0.22 0.00 0.00 0.00 175.10 175.40 3g5m s LEU 6 N 0.03 3.39 -0.25 3.92 2.96 -0.35 -1.16 118.68 127.22 3g5m s LEU 6 Ca -0.07 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 3g5m s LEU 6 Cb -0.14 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3g5m s LEU 6 CO 0.04 0.19 0.02 -0.63 -1.32 0.00 0.00 176.35 174.66 3g5m s ILE 7 N 0.23 3.80 -0.39 6.68 1.01 0.28 -0.94 121.20 131.86 3g5m s ILE 7 Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 3g5m s ILE 7 Cb -0.13 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.55 3g5m s ILE 7 CO 0.02 0.31 0.27 -0.69 0.00 0.00 0.00 174.94 174.85 3g5m s VAL 8 N 1.52 5.07 -0.04 2.92 1.01 0.60 -0.22 120.40 131.26 3g5m s VAL 8 Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3g5m s VAL 8 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3g5m s VAL 8 CO 0.00 -0.27 -0.11 -0.47 0.00 0.00 0.00 175.10 174.26 3g5m s TYR 9 N 1.65 2.81 -0.42 5.22 5.04 -0.24 -1.31 117.35 130.10 3g5m s TYR 9 Ca 0.04 -0.08 0.05 0.00 -2.44 0.00 0.00 57.07 54.65 3g5m s TYR 9 Cb -0.19 -1.64 0.20 0.00 0.35 0.00 0.00 41.96 40.67 3g5m s TYR 9 CO 0.09 0.27 0.41 0.00 -1.34 0.00 0.00 175.55 174.99 3g5m n ALA 10 N 2.10 2.78 -2.92 3.97 0.00 -0.71 -1.47 120.51 124.26 3g5m n ALA 10 Ca -0.17 -3.30 -0.11 0.00 0.00 0.00 0.00 53.44 49.86 3g5m n ALA 10 Cb 0.52 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 3g5m n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3g5m s HIS 11 N -0.45 0.07 -0.07 0.00 5.04 -1.26 -4.29 115.29 114.33 3g5m s HIS 11 Ca 0.33 -0.14 0.25 0.00 -1.54 0.00 0.00 55.06 53.97 3g5m s HIS 11 Cb 0.08 -0.06 0.77 0.00 0.04 0.00 0.00 32.58 33.41 3g5m s HIS 11 CO -0.17 -0.08 1.76 1.96 -2.34 0.00 0.00 174.74 175.88 3g5m h GLN 12 N 5.59 0.00 -5.01 2.88 7.50 -1.99 -3.43 115.11 120.65 3g5m h GLN 12 Ca -0.27 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.21 3g5m h GLN 12 Cb 1.21 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 28.39 3g5m h GLN 12 CO 0.47 0.14 -0.84 -2.00 -1.50 0.00 0.00 178.83 175.10 3g5m s GLU 13 N -3.44 2.86 0.45 1.46 2.56 -1.26 -5.00 118.70 116.34 3g5m s GLU 13 Ca 0.03 -0.92 0.16 0.00 0.00 0.00 0.00 54.97 54.24 3g5m s GLU 13 Cb 0.08 -2.67 1.06 0.00 2.00 0.00 0.00 34.13 34.59 3g5m s GLU 13 CO 0.63 -0.29 1.99 -1.35 -0.56 0.00 0.00 175.26 175.69 3g5m h PRO 14 N 7.92 0.00 -0.05 4.30 0.11 -1.99 -1.60 132.00 140.70 3g5m h PRO 14 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3g5m h PRO 14 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3g5m h PRO 14 CO 0.60 0.19 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 3g5m n LYS 15 N -4.20 1.21 -1.34 1.05 5.02 -1.26 -4.46 118.16 114.18 3g5m n LYS 15 Ca -0.02 -0.32 -0.29 0.00 -2.02 0.00 0.00 58.31 55.66 3g5m n LYS 15 Cb 0.26 -1.32 0.17 0.00 -0.02 0.00 0.00 35.03 34.12 3g5m n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g5m s SER 16 N -1.57 2.75 0.31 4.39 1.04 -0.60 -4.80 113.70 115.22 3g5m s SER 16 Ca 0.29 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.70 3g5m s SER 16 Cb 0.14 -1.52 0.50 0.00 0.10 0.00 0.00 66.02 65.24 3g5m s SER 16 CO 0.23 -3.03 1.86 0.15 0.98 0.00 0.00 173.24 173.43 3g5m h PHE 17 N -1.82 0.72 -0.51 5.02 3.57 -1.92 0.21 116.94 122.20 3g5m h PHE 17 Ca -0.51 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 60.88 3g5m h PHE 17 Cb 1.32 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 3g5m h PHE 17 CO -0.08 0.62 0.16 -0.91 -2.23 0.00 0.00 178.31 175.87 3g5m h ASN 18 N 0.67 0.75 -0.57 0.41 2.35 -1.92 -1.40 115.58 115.88 3g5m h ASN 18 Ca 0.15 -0.21 0.11 0.00 -0.55 0.00 0.00 56.30 55.80 3g5m h ASN 18 Cb 0.28 -0.20 -0.09 0.00 0.05 0.00 0.00 38.32 38.37 3g5m h ASN 18 CO 0.00 0.76 0.08 1.23 -1.65 0.00 0.00 177.43 177.86 3g5m h GLY 19 N 0.70 0.68 1.30 2.83 0.00 -1.64 0.17 103.07 107.12 3g5m h GLY 19 Ca 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 3g5m h GLY 19 CO -0.00 -0.13 -0.13 1.76 0.00 0.00 0.00 176.54 178.03 3g5m h SER 20 N 0.21 0.82 -0.30 0.19 0.02 -0.57 -0.91 113.55 113.00 3g5m h SER 20 Ca 0.30 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3g5m h SER 20 Cb 0.45 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3g5m h SER 20 CO -0.41 0.96 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.88 3g5m h LEU 21 N 0.74 0.83 -0.26 5.07 3.38 -0.61 0.45 115.31 124.91 3g5m h LEU 21 Ca 0.12 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3g5m h LEU 21 Cb 0.64 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3g5m h LEU 21 CO 0.04 1.06 0.06 0.50 0.09 0.00 0.00 178.44 180.20 3g5m h LYS 22 N 0.69 0.42 -0.65 1.13 3.11 -0.42 -2.42 116.57 118.42 3g5m h LYS 22 Ca 0.08 -0.10 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 3g5m h LYS 22 Cb 0.82 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.97 3g5m h LYS 22 CO 0.07 0.52 0.40 -0.91 -2.81 0.00 0.00 179.45 176.72 3g5m h ASN 23 N 0.24 0.77 -0.65 4.20 2.35 -0.96 -0.31 115.58 121.22 3g5m h ASN 23 Ca 0.08 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3g5m h ASN 23 Cb 0.29 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3g5m h ASN 23 CO 0.00 0.59 0.40 0.58 -1.65 0.00 0.00 177.43 177.36 3g5m h VAL 24 N 0.88 1.07 -0.32 2.81 2.07 -0.86 0.72 116.25 122.62 3g5m h VAL 24 Ca 0.23 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3g5m h VAL 24 Cb -0.04 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3g5m h VAL 24 CO -0.05 0.14 0.05 0.00 0.02 0.00 0.00 177.57 177.74 3g5m h ALA 25 N 1.29 0.42 -0.25 1.67 0.00 -0.89 0.93 119.26 122.43 3g5m h ALA 25 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3g5m h ALA 25 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3g5m h ALA 25 CO -0.11 0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.62 3g5m h VAL 26 N 0.36 0.93 -0.20 0.00 2.07 -0.95 -1.83 116.25 116.62 3g5m h VAL 26 Ca 0.10 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3g5m h VAL 26 Cb 0.35 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3g5m h VAL 26 CO 0.01 0.03 0.11 0.44 0.02 0.00 0.00 177.57 178.18 3g5m h ASP 27 N 0.19 0.24 -0.21 0.57 3.32 -0.15 0.69 116.42 121.08 3g5m h ASP 27 Ca 0.11 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3g5m h ASP 27 Cb 0.08 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3g5m h ASP 27 CO -0.12 0.24 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.35 3g5m h GLU 28 N 0.22 0.50 -0.21 3.56 4.57 -0.84 -0.63 114.58 121.75 3g5m h GLU 28 Ca 0.07 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 57.87 3g5m h GLU 28 Cb 0.05 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3g5m h GLU 28 CO -0.01 0.85 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.24 3g5m h LEU 29 N 0.18 0.48 -0.34 1.64 3.38 -1.32 -1.41 115.31 117.92 3g5m h LEU 29 Ca 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3g5m h LEU 29 Cb 0.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3g5m h LEU 29 CO 0.05 0.80 0.06 -1.28 0.09 0.00 0.00 178.44 178.16 3g5m h SER 30 N 0.39 0.54 -0.64 -0.43 0.87 -0.78 -1.34 113.55 112.16 3g5m h SER 30 Ca 0.04 -0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.43 3g5m h SER 30 Cb 0.81 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 3g5m h SER 30 CO 0.07 0.66 0.43 -0.09 -0.53 0.00 0.00 176.83 177.36 3g5m h ARG 31 N 0.39 0.51 0.00 2.24 2.43 -0.90 -1.61 114.38 117.45 3g5m h ARG 31 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3g5m h ARG 31 Cb 0.35 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3g5m h ARG 31 CO 0.01 0.34 0.00 1.04 -1.51 0.00 0.00 179.97 179.84 3g5m n GLN 32 N -4.48 0.22 -0.06 0.20 6.02 -0.55 -4.87 117.38 113.86 3g5m n GLN 32 Ca 0.10 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 3g5m n GLN 32 Cb 0.32 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3g5m n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g5m n GLY 33 N 0.66 0.97 3.77 1.08 0.00 -0.60 -4.39 105.19 106.69 3g5m n GLY 33 Ca 0.04 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3g5m n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5m s THR 35 N -2.16 4.84 -0.05 0.00 2.01 -0.23 -4.54 115.64 115.52 3g5m s THR 35 Ca 0.69 1.77 0.05 0.00 0.31 0.00 0.00 61.69 64.51 3g5m s THR 35 Cb -0.21 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3g5m s THR 35 CO 0.36 0.01 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.41 3g5m s VAL 36 N 2.13 1.65 0.00 3.82 1.01 -1.26 -0.12 120.40 127.63 3g5m s VAL 36 Ca 0.42 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3g5m s VAL 36 Cb -0.17 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3g5m s VAL 36 CO 0.14 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 174.70 3g5m s THR 37 N -0.06 0.94 -0.09 3.92 2.01 -0.31 -4.98 115.64 117.07 3g5m s THR 37 Ca -0.03 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.38 3g5m s THR 37 Cb -0.12 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 3g5m s THR 37 CO 0.03 0.18 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.24 3g5m s VAL 38 N -0.43 2.39 -0.54 3.82 1.01 -1.26 -0.56 120.40 124.83 3g5m s VAL 38 Ca 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3g5m s VAL 38 Cb -0.05 -1.93 0.13 0.00 0.00 0.00 0.00 36.38 34.53 3g5m s VAL 38 CO -0.00 0.56 0.47 -0.44 0.00 0.00 0.00 175.10 175.69 3g5m s SER 39 N 0.09 6.08 -0.84 3.32 0.01 0.69 -4.96 113.70 118.09 3g5m s SER 39 Ca -0.10 -1.89 -0.22 0.00 1.31 0.00 0.00 55.95 55.06 3g5m s SER 39 Cb -0.16 -2.15 0.09 0.00 0.21 0.00 0.00 66.02 64.01 3g5m s SER 39 CO 0.06 -0.79 1.16 -0.62 0.41 0.00 0.00 173.24 173.45 3g5m s ASP 40 N 3.23 6.41 0.17 2.44 -1.08 -1.26 -1.08 116.67 125.51 3g5m s ASP 40 Ca 0.05 -1.43 -0.14 0.00 -0.52 0.00 0.00 52.55 50.51 3g5m s ASP 40 Cb -0.28 -2.46 0.07 0.00 -1.46 0.00 0.00 42.92 38.80 3g5m s ASP 40 CO 0.01 -1.35 1.82 -0.07 0.52 0.00 0.00 175.17 176.10 3g5m h LEU 41 N 11.46 0.66 -0.70 -1.34 3.38 -1.62 -0.53 115.31 126.61 3g5m h LEU 41 Ca -0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3g5m h LEU 41 Cb 1.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3g5m h LEU 41 CO 1.21 0.51 -0.04 1.88 0.09 0.00 0.00 178.44 182.09 3g5m h TYR 42 N 0.75 1.04 0.00 1.13 0.05 -1.84 -1.14 116.97 116.96 3g5m h TYR 42 Ca 0.20 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 3g5m h TYR 42 Cb -0.04 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 3g5m h TYR 42 CO -0.03 0.95 -0.34 0.00 -1.05 0.00 0.00 178.16 177.69 3g5m h ALA 43 N 1.07 1.24 -0.00 3.88 0.00 -1.72 -0.69 119.26 123.04 3g5m h ALA 43 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3g5m h ALA 43 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3g5m h ALA 43 CO 0.03 0.43 -0.04 -1.33 0.00 0.00 0.00 179.25 178.34 3g5m n MET 44 N -3.86 0.86 -4.40 0.00 2.81 -0.27 -4.90 117.12 107.37 3g5m n MET 44 Ca -0.01 -0.19 -0.36 0.00 -1.81 0.00 0.00 57.70 55.32 3g5m n MET 44 Cb 0.42 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.34 3g5m n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3g5m n ASN 45 N -0.90 -0.19 -4.62 7.83 5.15 -0.27 -4.83 115.26 117.43 3g5m n ASN 45 Ca 0.18 -1.26 -0.47 0.00 -0.60 0.00 0.00 54.58 52.43 3g5m n ASN 45 Cb 0.22 -1.58 -0.04 0.00 -0.53 0.00 0.00 39.78 37.85 3g5m n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3g5m n PHE 46 N -4.35 1.75 -2.48 1.20 7.35 -0.49 -4.91 117.46 115.54 3g5m n PHE 46 Ca -0.14 0.54 -0.43 0.00 -0.76 0.00 0.00 57.45 56.66 3g5m n PHE 46 Cb 0.59 -2.38 -0.02 0.00 0.35 0.00 0.00 39.48 38.02 3g5m n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3g5m s GLU 47 N -0.24 4.23 0.21 -4.13 2.56 -1.26 -4.91 118.70 115.16 3g5m s GLU 47 Ca 0.72 1.57 0.23 0.00 0.00 0.00 0.00 54.97 57.49 3g5m s GLU 47 Cb -0.76 -3.74 0.03 0.00 2.00 0.00 0.00 34.13 31.67 3g5m s GLU 47 CO 0.50 -0.70 1.08 -1.35 -0.56 0.00 0.00 175.26 174.23 3g5m h PRO 48 N 8.04 0.00 -6.54 4.30 0.11 -1.88 -3.43 132.00 132.60 3g5m h PRO 48 Ca -0.24 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.35 3g5m h PRO 48 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3g5m h PRO 48 CO 0.97 0.00 0.25 1.03 -0.21 0.00 0.00 178.00 180.04 3g5m s ARG 49 N -3.35 4.65 -0.71 1.05 0.52 -1.26 -4.31 118.95 115.54 3g5m s ARG 49 Ca 0.00 1.27 -0.24 0.00 -0.52 0.00 0.00 55.73 56.25 3g5m s ARG 49 Cb 0.10 -3.31 0.06 0.00 0.52 0.00 0.00 34.95 32.32 3g5m s ARG 49 CO 0.78 0.44 1.08 0.00 0.02 0.00 0.00 175.30 177.62 3g5m s ALA 50 N -0.74 3.01 0.34 2.13 0.00 -1.26 -4.98 121.76 120.25 3g5m s ALA 50 Ca 0.39 -1.77 0.06 0.00 0.00 0.00 0.00 51.96 50.64 3g5m s ALA 50 Cb -0.23 -4.00 -0.03 0.00 0.00 0.00 0.00 23.12 18.85 3g5m s ALA 50 CO 0.28 -2.96 0.22 0.95 0.00 0.00 0.00 175.76 174.25 3g5m s THR 51 N 4.50 0.17 -1.09 0.00 -4.23 -1.26 -5.03 115.64 108.70 3g5m s THR 51 Ca 0.27 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.94 3g5m s THR 51 Cb -0.13 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.41 3g5m s THR 51 CO 0.10 0.00 1.50 -0.90 -0.54 0.00 0.00 174.62 174.77 3g5m n ASP 52 N -1.37 0.00 0.06 3.99 5.68 -1.26 -1.81 116.55 121.83 3g5m n ASP 52 Ca 0.03 0.41 0.07 0.00 -0.50 0.00 0.00 54.79 54.80 3g5m n ASP 52 Cb 0.63 -0.46 0.32 0.00 -1.14 0.00 0.00 41.12 40.48 3g5m n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3g5m n LYS 53 N -1.46 0.07 0.00 0.11 5.02 -1.26 -2.90 118.16 117.75 3g5m n LYS 53 Ca 0.05 0.42 0.14 0.00 -2.02 0.00 0.00 58.31 56.90 3g5m n LYS 53 Cb 0.17 -1.67 0.68 0.00 -0.02 0.00 0.00 35.03 34.19 3g5m n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3g5m n ASP 54 N -1.81 0.00 -4.17 4.39 8.00 -0.75 -4.62 116.55 117.59 3g5m n ASP 54 Ca 0.01 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 3g5m n ASP 54 Cb 0.12 -0.36 -0.17 0.00 -0.02 0.00 0.00 41.12 40.69 3g5m n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3g5m s ILE 55 N -2.72 2.03 0.33 0.53 1.09 -1.14 -0.93 121.20 120.39 3g5m s ILE 55 Ca 0.23 -0.96 -0.00 0.00 -1.10 0.00 0.00 60.65 58.81 3g5m s ILE 55 Cb 0.19 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.76 3g5m s ILE 55 CO 0.46 0.54 0.54 0.42 -0.10 0.00 0.00 174.94 176.81 3g5m s THR 56 N 0.78 5.10 0.00 2.92 -4.23 0.64 -4.87 115.64 115.98 3g5m s THR 56 Ca -0.08 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 3g5m s THR 56 Cb -0.16 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.85 3g5m s THR 56 CO -0.01 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3g5m n GLY 57 N -1.61 1.29 3.26 3.99 0.00 -1.26 -4.85 105.19 106.01 3g5m n GLY 57 Ca -0.04 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 3g5m n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g5m s THR 58 N 0.00 1.70 0.52 2.61 -4.23 -1.26 -5.12 115.64 109.85 3g5m s THR 58 Ca 0.00 -1.26 -0.20 0.00 -1.18 0.00 0.00 61.69 59.05 3g5m s THR 58 Cb 0.00 -1.48 -0.07 0.00 1.34 0.00 0.00 72.50 72.29 3g5m s THR 58 CO 0.00 0.17 1.12 -0.76 -0.54 0.00 0.00 174.62 174.61 3g5m s LEU 59 N -1.29 3.81 0.07 4.79 1.43 -1.26 -4.95 118.68 121.29 3g5m s LEU 59 Ca 0.08 2.15 0.27 0.00 -1.03 0.00 0.00 54.13 55.60 3g5m s LEU 59 Cb -0.09 -4.52 1.07 0.00 0.03 0.00 0.00 46.19 42.68 3g5m s LEU 59 CO 0.02 -1.09 1.85 -1.54 0.23 0.00 0.00 176.35 175.83 3g5m n SER 60 N -1.09 0.28 -3.33 2.29 3.41 -1.26 -4.16 113.62 109.76 3g5m n SER 60 Ca 0.10 0.53 -0.18 0.00 -0.26 0.00 0.00 58.87 59.07 3g5m n SER 60 Cb 0.51 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 3g5m n SER 60 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3g5m s ASN 61 N -3.52 1.07 0.00 4.04 3.84 -1.26 -5.04 114.94 114.07 3g5m s ASN 61 Ca 0.12 -1.81 0.09 0.00 0.21 0.00 0.00 52.86 51.47 3g5m s ASN 61 Cb 0.16 0.51 0.51 0.00 -0.55 0.00 0.00 41.25 41.88 3g5m s ASN 61 CO 0.54 -0.23 1.21 -0.81 -2.79 0.00 0.00 177.10 175.01 3g5m n PRO 62 N 3.96 0.85 -0.00 0.43 -0.04 -1.26 -3.51 135.00 135.43 3g5m n PRO 62 Ca 0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.41 3g5m n PRO 62 Cb 0.46 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 3g5m n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3g5m n GLU 63 N -0.66 0.74 -4.25 0.54 -0.58 -1.26 -4.84 120.64 110.33 3g5m n GLU 63 Ca 0.06 0.26 -0.27 0.00 -0.42 0.00 0.00 57.16 56.80 3g5m n GLU 63 Cb 0.03 -1.72 -0.17 0.00 -0.57 0.00 0.00 31.44 29.01 3g5m n GLU 63 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3g5m s VAL 64 N -2.56 1.22 -0.30 2.62 1.01 -1.23 -5.12 120.40 116.03 3g5m s VAL 64 Ca -0.20 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 3g5m s VAL 64 Cb 0.07 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3g5m s VAL 64 CO 0.78 0.39 0.72 0.12 0.00 0.00 0.00 175.10 177.11 3g5m s PHE 65 N 1.19 3.21 -0.28 5.22 5.36 -1.26 -4.72 117.98 126.71 3g5m s PHE 65 Ca -0.04 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 3g5m s PHE 65 Cb -0.14 -3.11 0.05 0.00 -0.34 0.00 0.00 43.02 39.48 3g5m s PHE 65 CO -0.03 -0.52 -0.06 1.21 -1.46 0.00 0.00 175.22 174.36 3g5m s ASN 66 N 1.61 4.62 0.16 6.13 3.84 -1.26 -5.03 114.94 125.01 3g5m s ASN 66 Ca 0.29 -1.32 -0.16 0.00 0.21 0.00 0.00 52.86 51.89 3g5m s ASN 66 Cb -0.14 -1.62 0.05 0.00 -0.55 0.00 0.00 41.25 38.98 3g5m s ASN 66 CO 0.12 -0.22 1.80 0.22 -2.79 0.00 0.00 177.10 176.24 3g5m h TYR 67 N 7.88 0.46 -0.66 0.43 3.20 -1.97 -0.76 116.97 125.56 3g5m h TYR 67 Ca -0.21 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.71 3g5m h TYR 67 Cb 1.05 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 3g5m h TYR 67 CO 0.63 0.27 0.41 0.78 -1.64 0.00 0.00 178.16 178.60 3g5m h GLY 68 N 0.50 0.95 0.97 1.82 0.00 -1.99 -0.34 103.07 104.98 3g5m h GLY 68 Ca 0.16 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 3g5m h GLY 68 CO -0.07 0.26 -0.51 -2.08 0.00 0.00 0.00 176.54 174.13 3g5m h VAL 69 N 0.80 1.33 -0.46 4.60 2.07 -1.88 -1.67 116.25 121.03 3g5m h VAL 69 Ca 0.27 -1.76 -0.12 0.00 0.82 0.00 0.00 66.70 65.90 3g5m h VAL 69 Cb 0.03 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3g5m h VAL 69 CO -0.11 0.55 -0.18 -0.33 0.02 0.00 0.00 177.57 177.52 3g5m h GLU 70 N 0.30 0.90 -0.07 1.57 4.39 -0.94 -1.91 114.58 118.81 3g5m h GLU 70 Ca -0.02 -0.35 -0.21 0.00 0.34 0.00 0.00 59.36 59.12 3g5m h GLU 70 Cb 1.13 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3g5m h GLU 70 CO 0.11 1.00 -0.81 1.79 -1.16 0.00 0.00 179.01 179.94 3g5m h THR 71 N 0.79 1.36 -0.68 1.13 1.35 -1.05 0.47 112.91 116.29 3g5m h THR 71 Ca 0.11 -2.18 0.08 0.00 -0.55 0.00 0.00 66.41 63.87 3g5m h THR 71 Cb 0.72 2.17 -0.06 0.00 -1.73 0.00 0.00 68.15 69.24 3g5m h THR 71 CO 0.06 0.66 0.35 -0.74 -0.25 0.00 0.00 175.52 175.60 3g5m h HIS 72 N 0.33 0.63 0.01 4.73 -0.00 -1.10 0.70 115.15 120.45 3g5m h HIS 72 Ca -0.05 0.03 -0.27 0.00 -0.00 0.00 0.00 60.37 60.08 3g5m h HIS 72 Cb 1.41 -0.18 0.02 0.00 -0.00 0.00 0.00 27.41 28.66 3g5m h HIS 72 CO 0.06 0.26 -1.05 0.93 -0.00 0.00 0.00 177.93 178.13 3g5m h GLU 73 N 0.62 0.67 -0.99 5.26 4.39 -1.21 -2.35 114.58 120.98 3g5m h GLU 73 Ca 0.32 -0.74 0.04 0.00 0.34 0.00 0.00 59.36 59.33 3g5m h GLU 73 Cb 0.29 0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 3g5m h GLU 73 CO -0.23 1.31 0.65 0.00 -1.16 0.00 0.00 179.01 179.58 3g5m h ALA 74 N 0.43 1.38 -0.12 3.43 0.00 -0.74 0.15 119.26 123.79 3g5m h ALA 74 Ca -0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3g5m h ALA 74 Cb 1.70 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3g5m h ALA 74 CO 0.20 0.51 0.05 -0.92 0.00 0.00 0.00 179.25 179.10 3g5m h TYR 75 N 1.22 0.18 -0.68 0.00 3.20 -0.65 0.30 116.97 120.54 3g5m h TYR 75 Ca 0.40 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.20 3g5m h TYR 75 Cb 0.05 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3g5m h TYR 75 CO -0.00 0.25 0.19 0.87 -1.64 0.00 0.00 178.16 177.83 3g5m h LYS 76 N 0.05 1.07 -0.43 1.82 1.57 -0.91 -2.53 116.57 117.21 3g5m h LYS 76 Ca 0.04 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3g5m h LYS 76 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3g5m h LYS 76 CO -0.00 0.93 0.00 1.04 -0.57 0.00 0.00 179.45 180.84 3g5m n GLN 77 N -4.25 2.01 -3.76 3.15 6.02 0.48 -4.95 117.38 116.08 3g5m n GLN 77 Ca 0.05 -1.45 -0.24 0.00 -0.01 0.00 0.00 57.00 55.35 3g5m n GLN 77 Cb 0.24 -1.35 0.03 0.00 1.02 0.00 0.00 30.24 30.18 3g5m n GLN 77 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3g5m n ARG 78 N 0.64 -5.35 -0.35 -1.09 1.74 -0.06 -4.92 116.66 107.27 3g5m n ARG 78 Ca 0.13 0.63 0.07 0.00 -0.77 0.00 0.00 57.85 57.92 3g5m n ARG 78 Cb 0.37 -5.34 0.12 0.00 -1.02 0.00 0.00 32.46 26.58 3g5m n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3g5m n SER 79 N -2.98 1.70 -4.82 0.55 7.64 0.87 -5.03 113.62 111.54 3g5m n SER 79 Ca -0.17 -2.98 -0.33 0.00 1.01 0.00 0.00 58.87 56.41 3g5m n SER 79 Cb 0.62 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3g5m n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g5m s LEU 80 N -2.23 3.67 0.72 -3.43 1.43 -1.24 -0.26 118.68 117.34 3g5m s LEU 80 Ca 0.27 1.70 -0.15 0.00 -1.03 0.00 0.00 54.13 54.92 3g5m s LEU 80 Cb 0.25 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.98 3g5m s LEU 80 CO -0.01 -0.73 1.23 0.00 0.23 0.00 0.00 176.35 177.07 3g5m s ALA 81 N -2.43 2.13 0.09 4.21 0.00 -0.11 -4.72 121.76 120.93 3g5m s ALA 81 Ca 0.62 0.97 0.17 0.00 0.00 0.00 0.00 51.96 53.72 3g5m s ALA 81 Cb -0.12 -3.50 0.48 0.00 0.00 0.00 0.00 23.12 19.97 3g5m s ALA 81 CO 0.28 -1.89 1.64 0.66 0.00 0.00 0.00 175.76 176.45 3g5m h SER 82 N -0.19 0.00 -0.87 0.00 4.64 -1.95 -2.02 113.55 113.16 3g5m h SER 82 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3g5m h SER 82 Cb 1.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3g5m h SER 82 CO 0.50 0.45 0.56 -2.24 -0.87 0.00 0.00 176.83 175.23 3g5m h ASP 83 N 0.00 1.01 -0.12 4.97 2.03 -2.00 -0.81 116.42 121.51 3g5m h ASP 83 Ca -0.00 -0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.17 3g5m h ASP 83 Cb 1.07 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 3g5m h ASP 83 CO 0.06 0.75 -0.27 0.40 -1.03 0.00 0.00 179.24 179.14 3g5m h ILE 84 N 1.19 1.38 -0.11 4.15 2.04 -1.78 -2.80 117.51 121.58 3g5m h ILE 84 Ca 0.32 -1.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.49 3g5m h ILE 84 Cb -0.11 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3g5m h ILE 84 CO -0.07 0.46 -0.44 0.71 0.00 0.00 0.00 178.15 178.81 3g5m h THR 85 N -0.03 1.32 -0.59 -0.27 1.35 -1.18 0.42 112.91 113.93 3g5m h THR 85 Ca -0.00 -1.60 0.08 0.00 -0.55 0.00 0.00 66.41 64.34 3g5m h THR 85 Cb 0.88 1.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.96 3g5m h THR 85 CO 0.06 0.48 0.25 0.44 -0.25 0.00 0.00 175.52 176.50 3g5m h ASP 86 N 0.21 0.29 -0.42 5.36 3.32 -1.16 -0.83 116.42 123.20 3g5m h ASP 86 Ca 0.02 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3g5m h ASP 86 Cb 0.87 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3g5m h ASP 86 CO 0.07 0.18 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.26 3g5m h GLU 87 N 0.46 0.86 -0.76 3.56 4.39 -1.03 -2.90 114.58 119.15 3g5m h GLU 87 Ca 0.29 -0.36 0.07 0.00 0.34 0.00 0.00 59.36 59.70 3g5m h GLU 87 Cb 0.31 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 3g5m h GLU 87 CO -0.26 1.00 0.50 1.96 -1.16 0.00 0.00 179.01 181.05 3g5m h GLN 88 N 0.68 0.75 -0.35 2.33 4.20 -0.50 -1.08 115.11 121.14 3g5m h GLN 88 Ca 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3g5m h GLN 88 Cb 0.73 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3g5m h GLN 88 CO 0.06 0.49 0.22 -0.22 -0.67 0.00 0.00 178.83 178.71 3g5m h LYS 89 N 0.77 0.47 -0.52 1.46 3.64 -1.07 0.16 116.57 121.46 3g5m h LYS 89 Ca 0.33 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3g5m h LYS 89 Cb 0.30 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3g5m h LYS 89 CO -0.12 0.33 0.12 0.87 -2.27 0.00 0.00 179.45 178.38 3g5m h LYS 90 N 0.46 0.80 -0.19 1.90 1.57 -1.12 -1.93 116.57 118.06 3g5m h LYS 90 Ca 0.13 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3g5m h LYS 90 Cb -0.03 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3g5m h LYS 90 CO -0.03 0.73 -0.33 0.28 -0.57 0.00 0.00 179.45 179.53 3g5m h VAL 91 N 0.77 1.34 -0.87 0.50 2.07 -0.92 -1.98 116.25 117.16 3g5m h VAL 91 Ca 0.17 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.15 3g5m h VAL 91 Cb 0.29 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3g5m h VAL 91 CO -0.00 0.48 0.57 -0.09 0.02 0.00 0.00 177.57 178.55 3g5m h ARG 92 N 0.22 1.13 0.00 1.57 2.43 -0.41 -2.26 114.38 117.06 3g5m h ARG 92 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3g5m h ARG 92 Cb 0.92 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3g5m h ARG 92 CO 0.07 0.75 -0.20 0.93 -1.51 0.00 0.00 179.97 180.01 3g5m h GLU 93 N 1.17 0.00 -6.85 0.20 5.08 -1.35 -3.46 114.58 109.37 3g5m h GLU 93 Ca 0.32 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.16 3g5m h GLU 93 Cb -0.12 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.19 3g5m h GLU 93 CO -0.08 0.00 0.63 0.00 -1.00 0.00 0.00 179.01 178.56 3g5m s ALA 94 N -3.21 3.50 -0.09 3.43 0.00 -0.75 -4.70 121.76 119.94 3g5m s ALA 94 Ca 0.06 1.21 0.15 0.00 0.00 0.00 0.00 51.96 53.39 3g5m s ALA 94 Cb 0.08 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.54 3g5m s ALA 94 CO 0.68 -0.59 0.72 -0.25 0.00 0.00 0.00 175.76 176.32 3g5m n ASP 95 N 1.09 0.84 -3.78 0.00 8.00 0.29 -4.86 116.55 118.13 3g5m n ASP 95 Ca 0.01 0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.76 3g5m n ASP 95 Cb 0.42 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.46 3g5m n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3g5m s LEU 96 N -5.91 1.03 -0.20 0.64 2.96 -1.00 -1.07 118.68 115.13 3g5m s LEU 96 Ca -0.04 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 3g5m s LEU 96 Cb 0.08 0.25 0.01 0.00 0.50 0.00 0.00 46.19 47.03 3g5m s LEU 96 CO 0.82 -0.12 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.89 3g5m s VAL 97 N 0.87 2.45 -0.16 1.68 1.01 0.31 -1.22 120.40 125.35 3g5m s VAL 97 Ca -0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3g5m s VAL 97 Cb -0.09 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3g5m s VAL 97 CO -0.04 0.48 0.08 -0.63 0.00 0.00 0.00 175.10 175.00 3g5m s ILE 98 N 1.34 4.98 -0.22 2.22 1.01 -0.11 -1.34 121.20 129.08 3g5m s ILE 98 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 3g5m s ILE 98 Cb -0.14 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 3g5m s ILE 98 CO -0.10 0.51 0.02 -0.36 0.00 0.00 0.00 174.94 175.01 3g5m s PHE 99 N -0.08 3.04 -0.26 3.97 0.08 -0.20 -0.29 117.98 124.24 3g5m s PHE 99 Ca 0.08 -0.52 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 3g5m s PHE 99 Cb -0.12 -2.14 0.03 0.00 -0.57 0.00 0.00 43.02 40.23 3g5m s PHE 99 CO 0.01 -0.32 -0.04 -1.14 -0.10 0.00 0.00 175.22 173.63 3g5m s GLN 100 N 1.26 2.74 0.11 0.44 2.00 -0.42 -0.12 119.66 125.67 3g5m s GLN 100 Ca 0.04 -1.04 -0.25 0.00 -2.00 0.00 0.00 55.36 52.11 3g5m s GLN 100 Cb -0.15 -3.06 0.07 0.00 0.80 0.00 0.00 33.01 30.68 3g5m s GLN 100 CO 0.01 -0.46 0.61 -0.59 -0.50 0.00 0.00 175.29 174.37 3g5m s PHE 101 N 1.32 -0.56 0.30 1.67 -0.12 -0.71 -1.74 117.98 118.14 3g5m s PHE 101 Ca -0.01 0.52 -0.27 0.00 -0.05 0.00 0.00 56.93 57.12 3g5m s PHE 101 Cb -0.17 0.51 -0.10 0.00 -0.63 0.00 0.00 43.02 42.63 3g5m s PHE 101 CO -0.03 -0.78 0.93 -1.25 -0.05 0.00 0.00 175.22 174.04 3g5m s PRO 102 N -3.10 4.63 0.07 1.99 0.04 -1.26 -2.06 135.00 135.32 3g5m s PRO 102 Ca -0.02 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 3g5m s PRO 102 Cb -0.01 -2.93 -0.08 0.00 0.04 0.00 0.00 34.50 31.52 3g5m s PRO 102 CO -0.07 0.35 1.65 -1.17 0.04 0.00 0.00 177.00 177.80 3g5m s LEU 103 N -1.82 4.37 -0.19 -3.56 2.96 0.59 -4.25 118.68 116.77 3g5m s LEU 103 Ca 0.47 2.50 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 3g5m s LEU 103 Cb -0.20 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 42.95 3g5m s LEU 103 CO 0.26 -0.89 -0.16 -0.31 -1.32 0.00 0.00 176.35 173.93 3g5m s TYR 104 N 2.59 2.65 -1.35 5.38 1.51 0.28 -4.78 117.35 123.63 3g5m s TYR 104 Ca 0.74 -1.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.14 3g5m s TYR 104 Cb -0.40 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3g5m s TYR 104 CO 0.32 -0.78 0.70 0.91 -1.11 0.00 0.00 175.55 175.59 3g5m n TRP 105 N 4.64 -1.92 -4.24 2.71 7.02 -1.26 -1.53 117.44 122.85 3g5m n TRP 105 Ca -0.18 0.84 -0.36 0.00 -1.02 0.00 0.00 57.50 56.78 3g5m n TRP 105 Cb 0.48 -4.24 -0.04 0.00 -2.42 0.00 0.00 31.31 25.10 3g5m n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3g5m n PHE 106 N -4.35 -1.64 -2.35 -5.99 3.01 -1.26 -4.88 117.46 100.00 3g5m n PHE 106 Ca -0.25 0.77 0.00 0.00 1.01 0.00 0.00 57.45 58.98 3g5m n PHE 106 Cb 0.66 -2.90 0.00 0.00 -0.01 0.00 0.00 39.48 37.23 3g5m n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3g5m n SER 107 N -2.68 0.00 -4.87 4.37 2.88 -0.58 -4.88 113.62 107.86 3g5m n SER 107 Ca 0.02 -0.19 -0.32 0.00 -1.33 0.00 0.00 58.87 57.06 3g5m n SER 107 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 3g5m n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3g5m s VAL 108 N -2.71 4.84 0.49 2.46 -7.23 -1.26 -0.55 120.40 116.44 3g5m s VAL 108 Ca 0.00 0.61 -0.21 0.00 -1.81 0.00 0.00 61.98 60.57 3g5m s VAL 108 Cb 0.00 -3.64 -0.10 0.00 0.56 0.00 0.00 36.38 33.21 3g5m s VAL 108 CO 0.00 -0.18 0.74 -2.65 -0.31 0.00 0.00 175.10 172.70 3g5m n PRO 109 N -0.42 0.83 -0.10 4.82 -0.02 -1.26 -4.61 135.00 134.24 3g5m n PRO 109 Ca 0.02 0.31 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 3g5m n PRO 109 Cb 0.53 -1.82 0.45 0.00 -0.02 0.00 0.00 33.50 32.64 3g5m n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g5m h ALA 110 N 0.81 1.87 -0.28 3.55 0.00 -1.97 0.71 119.26 123.96 3g5m h ALA 110 Ca -0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3g5m h ALA 110 Cb 1.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3g5m h ALA 110 CO 0.52 0.02 -0.04 0.97 0.00 0.00 0.00 179.25 180.72 3g5m h ILE 111 N 0.53 1.19 0.04 0.00 2.10 -1.94 0.10 117.51 119.53 3g5m h ILE 111 Ca 0.27 -0.77 -0.25 0.00 1.08 0.00 0.00 64.86 65.18 3g5m h ILE 111 Cb 0.36 1.02 -0.03 0.00 -1.09 0.00 0.00 36.82 37.09 3g5m h ILE 111 CO -0.08 0.26 -1.29 0.25 -1.08 0.00 0.00 178.15 176.21 3g5m h LEU 112 N 0.42 0.13 -1.21 2.19 5.85 -1.37 -2.92 115.31 118.40 3g5m h LEU 112 Ca 0.09 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3g5m h LEU 112 Cb 0.34 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3g5m h LEU 112 CO 0.01 1.14 0.54 0.50 -0.34 0.00 0.00 178.44 180.29 3g5m h LYS 113 N 0.02 1.03 0.00 1.25 1.63 -0.31 -2.20 116.57 117.99 3g5m h LYS 113 Ca -0.13 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.51 3g5m h LYS 113 Cb 1.90 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 33.28 3g5m h LYS 113 CO 0.13 0.68 -0.47 0.78 -3.45 0.00 0.00 179.45 177.13 3g5m h GLY 114 N 1.06 0.00 0.86 5.01 0.00 -0.73 0.55 103.07 109.83 3g5m h GLY 114 Ca 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 3g5m h GLY 114 CO -0.08 0.00 -0.02 -0.25 0.00 0.00 0.00 176.54 176.19 3g5m h TRP 115 N 0.00 -0.05 0.29 5.60 7.01 -1.24 -0.79 115.95 126.77 3g5m h TRP 115 Ca -0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3g5m h TRP 115 Cb 0.87 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.93 3g5m h TRP 115 CO 0.00 0.10 -0.30 0.52 -2.79 0.00 0.00 178.44 175.97 3g5m h MET 116 N -0.19 -0.60 -0.96 2.65 2.86 -0.93 0.27 114.93 118.03 3g5m h MET 116 Ca -0.01 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 3g5m h MET 116 Cb 0.17 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 31.88 3g5m h MET 116 CO 0.01 -0.40 0.58 -0.44 1.06 0.00 0.00 176.91 177.72 3g5m h ASP 117 N -0.62 0.82 0.09 1.22 3.32 -0.74 -1.88 116.42 118.62 3g5m h ASP 117 Ca -0.01 0.06 -0.36 0.00 0.02 0.00 0.00 57.03 56.74 3g5m h ASP 117 Cb 0.57 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 3g5m h ASP 117 CO -0.06 0.40 -2.27 0.54 -1.72 0.00 0.00 179.24 176.13 3g5m n ARG 118 N -4.70 0.68 0.08 3.56 1.74 -0.32 -4.46 116.66 113.23 3g5m n ARG 118 Ca 0.19 0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 57.15 3g5m n ARG 118 Cb 0.40 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.12 3g5m n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3g5m h VAL 119 N 0.00 1.07 -0.78 1.55 2.07 -0.36 -3.39 116.25 116.41 3g5m h VAL 119 Ca -0.50 -2.66 -0.72 0.00 0.82 0.00 0.00 66.70 63.63 3g5m h VAL 119 Cb 2.14 2.79 -0.08 0.00 -1.52 0.00 0.00 31.29 34.61 3g5m h VAL 119 CO 0.02 0.83 2.82 0.18 0.02 0.00 0.00 177.57 181.45 3g5m n LEU 120 N -3.54 7.99 -4.93 2.57 4.77 -0.72 -4.82 117.00 118.32 3g5m n LEU 120 Ca -0.20 -4.66 -0.25 0.00 -0.03 0.00 0.00 56.01 50.87 3g5m n LEU 120 Cb 1.06 -1.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3g5m n LEU 120 CO 0.52 1.91 0.38 0.00 -1.33 0.00 0.00 177.39 178.87 3g5m s GLN 122 N -4.71 4.28 0.00 0.00 0.74 -1.26 -1.34 119.66 117.37 3g5m s GLN 122 Ca 0.49 2.27 0.00 0.00 0.05 0.00 0.00 55.36 58.17 3g5m s GLN 122 Cb -0.10 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.89 3g5m s GLN 122 CO 0.41 -0.40 0.00 0.41 -0.55 0.00 0.00 175.29 175.17 3g5m n GLY 123 N 2.21 2.95 0.06 2.59 0.00 0.03 -4.18 105.19 108.85 3g5m n GLY 123 Ca 0.07 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 3g5m n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g5m n PHE 124 N 0.00 0.61 -0.01 1.61 7.35 -0.65 -4.76 117.46 121.61 3g5m n PHE 124 Ca 0.00 0.27 0.02 0.00 -0.76 0.00 0.00 57.45 56.98 3g5m n PHE 124 Cb 0.00 -0.62 -0.12 0.00 0.35 0.00 0.00 39.48 39.08 3g5m n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3g5m n ALA 125 N -3.54 2.18 -3.61 3.13 0.00 -0.45 -4.63 120.51 113.58 3g5m n ALA 125 Ca -0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 3g5m n ALA 125 Cb 0.26 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 3g5m n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3g5m s PHE 126 N -3.06 -0.31 0.38 0.00 -0.71 -1.25 -1.97 117.98 111.05 3g5m s PHE 126 Ca -0.06 0.05 0.05 0.00 -1.04 0.00 0.00 56.93 55.93 3g5m s PHE 126 Cb 0.10 0.60 -0.06 0.00 -1.21 0.00 0.00 43.02 42.45 3g5m s PHE 126 CO 0.85 -0.83 0.04 -0.51 -1.34 0.00 0.00 175.22 173.43 3g5m s ASP 127 N -2.75 3.13 -0.33 1.98 1.01 -0.22 -0.79 116.67 118.69 3g5m s ASP 127 Ca 0.07 -1.42 0.04 0.00 0.71 0.00 0.00 52.55 51.94 3g5m s ASP 127 Cb -0.02 -0.10 0.09 0.00 1.01 0.00 0.00 42.92 43.90 3g5m s ASP 127 CO -0.04 -0.60 0.03 -0.63 0.21 0.00 0.00 175.17 174.14 3g5m s ILE 128 N -3.03 2.29 0.89 0.77 -1.09 -1.26 -1.55 121.20 118.22 3g5m s ILE 128 Ca 0.32 -2.23 -0.10 0.00 -2.23 0.00 0.00 60.65 56.40 3g5m s ILE 128 Cb 0.08 -2.64 0.20 0.00 -1.58 0.00 0.00 42.46 38.52 3g5m s ILE 128 CO 0.15 -0.51 1.21 -0.81 -1.23 0.00 0.00 174.94 173.75 3g5m n PRO 129 N 4.29 -0.86 0.00 2.79 -0.05 -1.26 -5.16 135.00 134.75 3g5m n PRO 129 Ca 0.01 -2.33 0.00 0.00 -0.05 0.00 0.00 63.50 61.13 3g5m n PRO 129 Cb 0.42 -1.11 0.00 0.00 -0.05 0.00 0.00 33.50 32.76 3g5m n PRO 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3g5m n GLY 130 N -3.37 0.15 0.25 0.55 0.00 -0.59 -5.12 105.19 97.05 3g5m n GLY 130 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3g5m n GLY 130 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3g5m n PHE 131 N 0.00 -0.05 0.00 1.61 1.16 -1.23 -1.05 117.46 117.89 3g5m n PHE 131 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 57.45 55.36 3g5m n PHE 131 Cb 0.00 0.02 0.00 0.00 -1.61 0.00 0.00 39.48 37.89 3g5m n PHE 131 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3g5m n TYR 132 N -0.05 0.00 -0.69 2.97 4.01 0.22 0.32 117.16 123.94 3g5m n TYR 132 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 3g5m n TYR 132 Cb 0.05 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.29 3g5m n TYR 132 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3g5m n ASP 133 N 2.00 3.47 -1.44 7.72 3.85 -1.26 -3.07 116.55 127.82 3g5m n ASP 133 Ca 0.00 -2.64 0.08 0.00 -0.71 0.00 0.00 54.79 51.52 3g5m n ASP 133 Cb 0.00 -0.42 0.34 0.00 -1.35 0.00 0.00 41.12 39.69 3g5m n ASP 133 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3g5m n SER 134 N -0.18 4.87 -4.75 -1.12 3.41 0.15 -5.00 113.62 110.99 3g5m n SER 134 Ca 0.17 -2.92 -0.41 0.00 -0.26 0.00 0.00 58.87 55.46 3g5m n SER 134 Cb 0.71 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3g5m n SER 134 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3g5m s GLY 135 N -1.27 2.96 0.28 5.00 0.00 -1.17 -3.55 107.32 109.58 3g5m s GLY 135 Ca 0.49 0.94 0.25 0.00 0.00 0.00 0.00 44.72 46.40 3g5m s GLY 135 CO 0.14 1.63 1.74 1.41 0.00 0.00 0.00 173.10 178.02 3g5m h LEU 136 N 4.16 0.00 -2.83 0.66 3.38 -1.25 -2.27 115.31 117.16 3g5m h LEU 136 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3g5m h LEU 136 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3g5m h LEU 136 CO 0.69 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.40 3g5m n LEU 137 N -2.33 4.40 -4.75 1.67 4.77 0.49 -4.98 117.00 116.27 3g5m n LEU 137 Ca 0.02 -2.23 -0.39 0.00 -0.03 0.00 0.00 56.01 53.38 3g5m n LEU 137 Cb 0.26 -0.63 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3g5m n LEU 137 CO 0.22 0.53 1.01 0.00 -1.33 0.00 0.00 177.39 177.82 3g5m n GLN 138 N 0.48 1.94 0.00 3.23 10.64 -0.85 -2.40 117.38 130.42 3g5m n GLN 138 Ca 0.20 0.70 0.00 0.00 -1.83 0.00 0.00 57.00 56.07 3g5m n GLN 138 Cb 0.92 -2.58 0.00 0.00 -0.86 0.00 0.00 30.24 27.72 3g5m n GLN 138 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3g5m n GLY 139 N 0.69 3.08 3.91 2.61 0.00 -1.26 -5.00 105.19 109.22 3g5m n GLY 139 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3g5m n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5m s LYS 140 N -0.57 3.58 -0.03 1.61 1.02 -1.01 -4.97 119.74 119.37 3g5m s LYS 140 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 55.97 55.78 3g5m s LYS 140 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 3g5m s LYS 140 CO 0.00 0.37 0.12 -0.51 -0.92 0.00 0.00 175.35 174.41 3g5m s LEU 141 N -3.20 4.10 0.10 3.17 1.43 -0.24 -1.13 118.68 122.91 3g5m s LEU 141 Ca 0.41 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 3g5m s LEU 141 Cb -0.11 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3g5m s LEU 141 CO 0.28 0.30 -0.12 0.00 0.23 0.00 0.00 176.35 177.04 3g5m s ALA 142 N -1.19 1.19 -0.16 4.21 0.00 -0.14 -0.53 121.76 125.15 3g5m s ALA 142 Ca 0.22 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3g5m s ALA 142 Cb -0.12 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.04 3g5m s ALA 142 CO 0.13 0.04 0.35 -1.17 0.00 0.00 0.00 175.76 175.11 3g5m s LEU 143 N -2.27 -0.15 -0.23 0.00 0.20 -0.45 -1.26 118.68 114.51 3g5m s LEU 143 Ca 0.04 0.79 -0.22 0.00 0.69 0.00 0.00 54.13 55.43 3g5m s LEU 143 Cb -0.05 1.12 -0.01 0.00 -0.43 0.00 0.00 46.19 46.81 3g5m s LEU 143 CO 0.01 -0.20 0.72 -0.76 -0.29 0.00 0.00 176.35 175.83 3g5m s LEU 144 N 1.82 4.09 -0.37 -0.68 1.43 -1.26 -1.04 118.68 122.67 3g5m s LEU 144 Ca -0.06 0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3g5m s LEU 144 Cb -0.10 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.15 3g5m s LEU 144 CO -0.11 -0.41 0.17 -0.55 0.23 0.00 0.00 176.35 175.68 3g5m s SER 145 N 1.35 5.46 0.04 2.29 0.15 0.83 -0.53 113.70 123.28 3g5m s SER 145 Ca 0.31 -1.30 0.08 0.00 0.70 0.00 0.00 55.95 55.74 3g5m s SER 145 Cb -0.16 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 3g5m s SER 145 CO 0.09 -0.41 -0.23 -0.69 1.20 0.00 0.00 173.24 173.19 3g5m s VAL 146 N 1.41 2.37 0.13 4.45 1.01 -0.21 -1.74 120.40 127.82 3g5m s VAL 146 Ca 0.01 -1.30 0.10 0.00 0.00 0.00 0.00 61.98 60.79 3g5m s VAL 146 Cb -0.21 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3g5m s VAL 146 CO 0.02 0.37 -0.21 0.42 0.00 0.00 0.00 175.10 175.71 3g5m s THR 147 N -0.84 2.65 0.26 3.92 -4.23 -0.87 -0.36 115.64 116.17 3g5m s THR 147 Ca 0.13 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.09 3g5m s THR 147 Cb -0.10 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 3g5m s THR 147 CO 0.03 0.07 -0.12 0.42 -0.54 0.00 0.00 174.62 174.47 3g5m s THR 148 N -1.20 1.95 -0.01 3.99 -4.23 -1.09 -0.30 115.64 114.76 3g5m s THR 148 Ca 0.17 -2.23 -0.06 0.00 -1.18 0.00 0.00 61.69 58.40 3g5m s THR 148 Cb -0.10 -2.31 -0.29 0.00 1.34 0.00 0.00 72.50 71.14 3g5m s THR 148 CO 0.09 -0.40 0.81 1.23 -0.54 0.00 0.00 174.62 175.81 3g5m h GLY 149 N 2.33 0.34 -3.68 3.99 0.00 -1.92 -2.37 103.07 101.76 3g5m h GLY 149 Ca -0.40 -0.88 -0.51 0.00 0.00 0.00 0.00 47.33 45.55 3g5m h GLY 149 CO 0.64 0.77 0.20 -0.32 0.00 0.00 0.00 176.54 177.83 3g5m s GLY 150 N -4.98 2.80 0.76 4.60 0.00 -1.26 -4.46 107.32 104.77 3g5m s GLY 150 Ca -0.11 0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.85 3g5m s GLY 150 CO 0.86 0.79 1.09 -0.51 0.00 0.00 0.00 173.10 175.33 3g5m s THR 151 N -1.39 3.39 0.45 0.90 -4.23 -1.26 -3.58 115.64 109.92 3g5m s THR 151 Ca 0.42 0.45 0.14 0.00 -1.18 0.00 0.00 61.69 61.52 3g5m s THR 151 Cb -0.20 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.73 3g5m s THR 151 CO 0.24 -0.59 2.01 0.00 -0.54 0.00 0.00 174.62 175.75 3g5m h ALA 152 N -0.93 2.01 -0.48 3.99 0.00 -1.95 -1.08 119.26 120.81 3g5m h ALA 152 Ca -0.46 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3g5m h ALA 152 Cb 1.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3g5m h ALA 152 CO 0.59 -0.11 0.26 1.05 0.00 0.00 0.00 179.25 181.05 3g5m h GLU 153 N 0.35 0.51 -0.31 0.00 -0.00 -2.00 -1.97 114.58 111.16 3g5m h GLU 153 Ca 0.22 -0.03 0.04 0.00 -0.00 0.00 0.00 59.36 59.59 3g5m h GLU 153 Cb 0.42 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 29.04 3g5m h GLU 153 CO -0.05 0.34 0.21 0.52 -0.00 0.00 0.00 179.01 180.02 3g5m h MET 154 N 0.52 0.24 -1.74 1.06 2.86 -1.55 -2.80 114.93 113.52 3g5m h MET 154 Ca 0.20 -0.01 -0.44 0.00 -2.06 0.00 0.00 59.70 57.38 3g5m h MET 154 Cb 0.07 -0.06 -0.17 0.00 0.06 0.00 0.00 31.60 31.50 3g5m h MET 154 CO -0.12 0.16 0.44 0.66 1.06 0.00 0.00 176.91 179.12 3g5m n TYR 155 N -4.49 1.70 -4.14 -0.22 4.01 -0.74 -2.25 117.16 111.03 3g5m n TYR 155 Ca 0.03 -2.03 -0.23 0.00 -0.16 0.00 0.00 57.90 55.51 3g5m n TYR 155 Cb 0.20 -1.21 -0.07 0.00 -0.31 0.00 0.00 39.34 37.95 3g5m n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3g5m s THR 156 N -2.48 3.08 0.09 -0.72 -4.23 -1.06 -2.85 115.64 107.47 3g5m s THR 156 Ca 0.48 -1.74 0.30 0.00 -1.18 0.00 0.00 61.69 59.55 3g5m s THR 156 Cb 0.34 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.53 3g5m s THR 156 CO -0.12 -0.21 1.93 0.07 -0.54 0.00 0.00 174.62 175.74 3g5m h LYS 157 N 1.61 0.00 0.00 3.99 2.10 -1.91 0.41 116.57 122.76 3g5m h LYS 157 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3g5m h LYS 157 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3g5m h LYS 157 CO 0.63 0.00 -0.31 0.25 -2.00 0.00 0.00 179.45 178.02 3g5m n THR 158 N -2.58 0.57 -1.51 0.07 -2.24 -1.26 -4.57 114.28 102.75 3g5m n THR 158 Ca -0.02 -0.67 -0.29 0.00 -2.27 0.00 0.00 64.05 60.80 3g5m n THR 158 Cb 0.08 0.32 0.13 0.00 -2.10 0.00 0.00 70.33 68.75 3g5m n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3g5m s GLY 159 N -1.47 1.59 0.27 3.38 0.00 0.14 -4.97 107.32 106.26 3g5m s GLY 159 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3g5m s GLY 159 CO 0.01 0.11 1.81 -0.39 0.00 0.00 0.00 173.10 174.64 3g5m h VAL 160 N -1.41 0.86 0.00 1.40 -1.51 -1.83 -2.45 116.25 111.31 3g5m h VAL 160 Ca -0.50 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 3g5m h VAL 160 Cb 1.31 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3g5m h VAL 160 CO 0.61 0.16 -0.32 0.59 -1.23 0.00 0.00 177.57 177.37 3g5m n ASN 161 N -4.70 0.39 -0.25 4.19 3.02 -0.95 -5.04 115.26 111.90 3g5m n ASN 161 Ca 0.18 0.10 0.03 0.00 -0.03 0.00 0.00 54.58 54.87 3g5m n ASN 161 Cb 0.38 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3g5m n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5m n GLY 162 N 1.46 -1.43 3.74 7.41 0.00 -0.93 -4.84 105.19 110.61 3g5m n GLY 162 Ca 0.06 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3g5m n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g5m s ASP 163 N -3.09 6.65 0.16 1.61 2.15 -1.21 -3.26 116.67 119.69 3g5m s ASP 163 Ca 0.00 2.66 -0.02 0.00 0.43 0.00 0.00 52.55 55.63 3g5m s ASP 163 Cb 0.00 -2.62 0.34 0.00 -0.30 0.00 0.00 42.92 40.33 3g5m s ASP 163 CO 0.00 -0.71 0.87 -1.20 -0.17 0.00 0.00 175.17 173.96 3g5m n SER 164 N 2.39 -0.14 0.28 -0.34 7.64 -1.13 -1.16 113.62 121.16 3g5m n SER 164 Ca 0.07 0.95 0.16 0.00 1.01 0.00 0.00 58.87 61.06 3g5m n SER 164 Cb 0.40 -0.31 0.78 0.00 -1.01 0.00 0.00 64.21 64.07 3g5m n SER 164 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3g5m h ARG 165 N 0.00 0.00 -0.57 1.43 3.08 -1.90 -2.63 114.38 113.79 3g5m h ARG 165 Ca 0.30 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 3g5m h ARG 165 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3g5m h ARG 165 CO -0.55 0.08 0.13 1.88 -1.07 0.00 0.00 179.97 180.44 3g5m h TYR 166 N 0.00 0.97 0.00 3.04 0.05 -1.29 -2.52 116.97 117.21 3g5m h TYR 166 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3g5m h TYR 166 Cb 0.36 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3g5m h TYR 166 CO 0.00 0.83 -0.05 0.27 -1.05 0.00 0.00 178.16 178.16 3g5m h PHE 167 N 0.82 0.00 0.00 4.88 -5.15 -1.59 -3.21 116.94 112.69 3g5m h PHE 167 Ca 0.18 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.94 3g5m h PHE 167 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.53 3g5m h PHE 167 CO 0.03 0.00 -0.03 -0.07 -2.00 0.00 0.00 178.31 176.24 3g5m h LEU 168 N 0.00 0.00 -0.00 2.10 3.38 -1.38 -3.37 115.31 116.04 3g5m h LEU 168 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3g5m h LEU 168 Cb 0.77 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3g5m h LEU 168 CO 0.00 0.03 -0.24 -0.25 0.09 0.00 0.00 178.44 178.07 3g5m h TRP 169 N 0.00 -0.65 -0.06 1.13 2.91 -1.55 0.35 115.95 118.09 3g5m h TRP 169 Ca -0.00 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3g5m h TRP 169 Cb 0.54 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.48 3g5m h TRP 169 CO 0.00 -0.33 0.01 -1.35 -1.03 0.00 0.00 178.44 175.73 3g5m h PRO 170 N -0.38 0.08 0.00 2.65 0.11 -1.84 0.13 132.00 132.74 3g5m h PRO 170 Ca 0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3g5m h PRO 170 Cb 0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3g5m h PRO 170 CO -0.22 0.08 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.39 3g5m h LEU 171 N 0.08 0.00 -0.30 2.35 3.38 -1.60 -2.31 115.31 116.91 3g5m h LEU 171 Ca 0.02 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3g5m h LEU 171 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3g5m h LEU 171 CO -0.00 0.76 -0.01 1.56 0.09 0.00 0.00 178.44 180.85 3g5m h GLN 172 N -1.00 0.53 0.00 1.13 4.20 -0.97 -0.47 115.11 118.53 3g5m h GLN 172 Ca -0.03 -0.17 -0.42 0.00 0.06 0.00 0.00 58.65 58.08 3g5m h GLN 172 Cb 0.47 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3g5m h GLN 172 CO -0.02 0.68 -2.37 1.58 -0.67 0.00 0.00 178.83 178.03 3g5m n HIS 173 N -4.56 0.17 0.22 2.96 -0.00 0.34 0.73 115.22 115.08 3g5m n HIS 173 Ca -0.03 0.06 0.11 0.00 0.46 0.00 0.00 57.72 58.32 3g5m n HIS 173 Cb 0.26 -1.02 0.42 0.00 -0.12 0.00 0.00 29.99 29.54 3g5m n HIS 173 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3g5m h GLY 174 N -0.50 0.00 0.00 1.57 0.00 -1.06 -2.63 103.07 100.46 3g5m h GLY 174 Ca -0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3g5m h GLY 174 CO -0.34 0.00 -0.13 2.41 0.00 0.00 0.00 176.54 178.49 3g5m n THR 175 N -3.28 0.34 0.36 4.70 -1.04 -0.89 -4.47 114.28 110.00 3g5m n THR 175 Ca 0.01 0.26 -0.15 0.00 -2.04 0.00 0.00 64.05 62.13 3g5m n THR 175 Cb 0.45 -1.43 -0.07 0.00 -1.82 0.00 0.00 70.33 67.45 3g5m n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3g5m h LEU 176 N -0.13 -0.81 -0.98 -4.42 3.38 -1.02 -2.25 115.31 109.09 3g5m h LEU 176 Ca 0.00 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3g5m h LEU 176 Cb 0.13 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3g5m h LEU 176 CO 0.00 -0.44 0.61 -0.74 0.09 0.00 0.00 178.44 177.96 3g5m h HIS 177 N -1.22 1.10 -0.35 1.13 2.76 0.22 -1.66 115.15 117.13 3g5m h HIS 177 Ca -0.10 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 3g5m h HIS 177 Cb 0.74 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3g5m h HIS 177 CO 0.00 0.44 0.17 0.35 -1.30 0.00 0.00 177.93 177.59 3g5m h PHE 178 N 0.97 0.48 -0.00 5.26 3.57 -1.34 -0.29 116.94 125.59 3g5m h PHE 178 Ca 0.48 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.98 3g5m h PHE 178 Cb 0.47 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3g5m h PHE 178 CO -0.01 0.36 -0.02 0.00 -2.23 0.00 0.00 178.31 176.41 3g5m n GLY 180 N 1.11 0.19 3.71 0.00 0.00 -0.12 -0.38 105.19 109.70 3g5m n GLY 180 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3g5m n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g5m n PHE 181 N -1.92 2.10 -3.10 1.61 3.72 -0.89 -3.71 117.46 115.27 3g5m n PHE 181 Ca 0.00 0.47 -0.39 0.00 -0.05 0.00 0.00 57.45 57.47 3g5m n PHE 181 Cb 0.00 -2.36 -0.05 0.00 -0.94 0.00 0.00 39.48 36.13 3g5m n PHE 181 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3g5m s LYS 182 N -2.48 4.40 -0.27 -1.08 1.02 -0.28 -4.23 119.74 116.82 3g5m s LYS 182 Ca 0.65 0.87 -0.09 0.00 0.02 0.00 0.00 55.97 57.43 3g5m s LYS 182 Cb -0.47 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 3g5m s LYS 182 CO 0.54 0.28 0.13 0.08 -0.92 0.00 0.00 175.35 175.46 3g5m s VAL 183 N 0.04 4.77 0.54 3.17 1.01 -1.26 -0.97 120.40 127.71 3g5m s VAL 183 Ca 0.35 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 3g5m s VAL 183 Cb -0.19 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 3g5m s VAL 183 CO 0.19 0.29 1.04 -0.76 0.00 0.00 0.00 175.10 175.86 3g5m s LEU 184 N 1.68 3.63 0.27 3.92 1.43 -0.39 0.57 118.68 129.80 3g5m s LEU 184 Ca 0.07 1.80 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 3g5m s LEU 184 Cb -0.16 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 41.39 3g5m s LEU 184 CO 0.07 -0.94 1.15 0.00 0.23 0.00 0.00 176.35 176.87 3g5m n ALA 185 N -1.61 0.15 -1.74 4.21 0.00 -1.26 -4.62 120.51 115.64 3g5m n ALA 185 Ca 0.08 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.58 3g5m n ALA 185 Cb 0.53 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3g5m n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g5m s PRO 186 N -1.19 3.32 -0.30 0.00 0.04 -1.26 -4.77 135.00 130.84 3g5m s PRO 186 Ca 0.62 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 3g5m s PRO 186 Cb -0.70 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 3g5m s PRO 186 CO 0.57 -0.86 0.25 -1.14 0.04 0.00 0.00 177.00 175.86 3g5m s GLN 187 N -3.41 3.81 -0.24 4.56 2.00 0.31 -5.02 119.66 121.68 3g5m s GLN 187 Ca 0.71 -0.35 0.01 0.00 -2.00 0.00 0.00 55.36 53.73 3g5m s GLN 187 Cb -0.23 -3.71 0.04 0.00 0.80 0.00 0.00 33.01 29.91 3g5m s GLN 187 CO 0.28 -0.29 -0.11 0.42 -0.50 0.00 0.00 175.29 175.09 3g5m s ILE 188 N 1.83 2.45 -0.62 -2.34 1.01 -1.26 -1.05 121.20 121.22 3g5m s ILE 188 Ca 0.09 -1.23 -0.15 0.00 0.00 0.00 0.00 60.65 59.36 3g5m s ILE 188 Cb -0.16 -2.27 0.15 0.00 0.01 0.00 0.00 42.46 40.19 3g5m s ILE 188 CO 0.11 0.19 0.57 -0.44 0.00 0.00 0.00 174.94 175.36 3g5m s SER 189 N 1.24 6.32 0.00 3.58 0.01 0.51 -5.00 113.70 120.37 3g5m s SER 189 Ca -0.02 -2.06 -0.30 0.00 1.31 0.00 0.00 55.95 54.88 3g5m s SER 189 Cb -0.17 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 3g5m s SER 189 CO -0.06 -0.77 1.24 -0.36 0.41 0.00 0.00 173.24 173.69 3g5m s PHE 190 N 1.17 3.22 -1.28 2.43 0.08 -1.26 -2.69 117.98 119.66 3g5m s PHE 190 Ca 0.07 1.17 -0.12 0.00 0.12 0.00 0.00 56.93 58.18 3g5m s PHE 190 Cb -0.24 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 3g5m s PHE 190 CO -0.01 -1.51 0.60 0.00 -0.10 0.00 0.00 175.22 174.20 3g5m n ALA 191 N 4.74 -2.29 0.30 5.36 0.00 -0.89 -4.85 120.51 122.87 3g5m n ALA 191 Ca 0.11 -0.29 0.19 0.00 0.00 0.00 0.00 53.44 53.45 3g5m n ALA 191 Cb 0.46 -2.69 0.92 0.00 0.00 0.00 0.00 19.45 18.13 3g5m n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3g5m h PRO 192 N -1.94 0.00 0.00 0.00 0.13 -1.76 -3.04 132.00 125.40 3g5m h PRO 192 Ca -0.65 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 3g5m h PRO 192 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 3g5m h PRO 192 CO 0.55 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 179.03 3g5m h GLU 193 N 0.00 0.00 -0.45 0.86 5.08 -1.89 -3.06 114.58 115.12 3g5m h GLU 193 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g5m h GLU 193 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3g5m h GLU 193 CO 0.00 0.23 0.00 0.44 -1.00 0.00 0.00 179.01 178.68 3g5m n ILE 194 N -3.32 1.67 0.87 3.13 -5.35 -1.15 -4.93 119.36 110.28 3g5m n ILE 194 Ca 0.01 -1.31 0.11 0.00 -0.27 0.00 0.00 62.75 61.29 3g5m n ILE 194 Cb 0.47 0.16 0.12 0.00 -1.74 0.00 0.00 39.64 38.64 3g5m n ILE 194 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3g5m n ALA 195 N 0.51 3.71 -1.76 -1.28 0.00 -1.16 -5.05 120.51 115.48 3g5m n ALA 195 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3g5m n ALA 195 Cb 0.74 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3g5m n ALA 195 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g5m n SER 196 N -1.65 -9.15 0.00 0.00 3.41 -1.26 -4.62 113.62 100.35 3g5m n SER 196 Ca 0.04 1.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.96 3g5m n SER 196 Cb 0.37 -4.92 0.00 0.00 -0.26 0.00 0.00 64.21 59.40 3g5m n SER 196 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3g5m n GLU 197 N 0.09 0.00 -0.52 4.33 4.07 -1.26 -0.26 120.64 127.09 3g5m n GLU 197 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 3g5m n GLU 197 Cb 0.00 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 31.59 3g5m n GLU 197 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3g5m n GLU 198 N 0.00 -3.45 0.00 5.31 1.02 -1.26 -1.06 120.64 121.20 3g5m n GLU 198 Ca 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 3g5m n GLU 198 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3g5m n GLU 198 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g5m n GLU 199 N -4.55 0.00 0.04 3.49 1.02 -1.24 -4.27 120.64 115.13 3g5m n GLU 199 Ca 0.11 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 3g5m n GLU 199 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.84 3g5m n GLU 199 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g5m h ARG 200 N 0.00 -0.20 -0.95 3.49 3.08 -0.59 0.16 114.38 119.39 3g5m h ARG 200 Ca 0.00 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.30 3g5m h ARG 200 Cb 0.00 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 29.92 3g5m h ARG 200 CO 0.00 0.10 -0.02 0.87 -1.07 0.00 0.00 179.97 179.85 3g5m h LYS 201 N -1.00 0.03 -0.82 0.04 1.79 -1.27 -0.40 116.57 114.94 3g5m h LYS 201 Ca -0.02 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3g5m h LYS 201 Cb 0.38 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 3g5m h LYS 201 CO 0.03 0.02 0.40 0.78 -1.08 0.00 0.00 179.45 179.60 3g5m h GLY 202 N 0.03 1.25 1.27 3.86 0.00 -1.79 0.17 103.07 107.85 3g5m h GLY 202 Ca 0.54 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3g5m h GLY 202 CO -0.89 0.58 -0.28 -0.33 0.00 0.00 0.00 176.54 175.62 3g5m h MET 203 N 1.16 0.83 -0.41 4.80 2.86 0.38 -1.27 114.93 123.28 3g5m h MET 203 Ca 0.28 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3g5m h MET 203 Cb 0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3g5m h MET 203 CO -0.04 1.00 -0.00 0.28 1.06 0.00 0.00 176.91 179.22 3g5m h VAL 204 N 0.71 1.26 -0.61 -2.22 2.07 -0.77 -2.81 116.25 113.88 3g5m h VAL 204 Ca 0.08 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3g5m h VAL 204 Cb 0.82 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3g5m h VAL 204 CO 0.07 0.34 0.30 0.00 0.02 0.00 0.00 177.57 178.30 3g5m h ALA 205 N 0.89 1.38 -0.17 1.67 0.00 -0.60 -2.71 119.26 119.72 3g5m h ALA 205 Ca 0.12 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3g5m h ALA 205 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3g5m h ALA 205 CO 0.02 0.49 -0.55 0.00 0.00 0.00 0.00 179.25 179.21 3g5m h ALA 206 N 1.47 0.73 -0.25 0.00 0.00 -0.98 -0.92 119.26 119.32 3g5m h ALA 206 Ca 0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3g5m h ALA 206 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g5m h ALA 206 CO -0.03 0.69 0.10 2.35 0.00 0.00 0.00 179.25 182.36 3g5m h TRP 207 N 0.39 0.37 -0.18 0.00 -0.00 -1.37 0.48 115.95 115.64 3g5m h TRP 207 Ca 0.01 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 3g5m h TRP 207 Cb 1.08 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 30.10 3g5m h TRP 207 CO 0.04 0.39 -0.03 1.03 -0.00 0.00 0.00 178.44 179.87 3g5m h SER 208 N 0.25 -0.14 -0.42 2.65 0.87 -1.27 -0.13 113.55 115.36 3g5m h SER 208 Ca 0.08 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3g5m h SER 208 Cb 0.17 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3g5m h SER 208 CO -0.01 -0.04 0.17 1.56 -0.53 0.00 0.00 176.83 177.98 3g5m h GLN 209 N 0.02 0.34 -0.91 2.24 4.20 -1.10 -1.97 115.11 117.93 3g5m h GLN 209 Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3g5m h GLN 209 Cb 0.12 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 3g5m h GLN 209 CO -0.17 0.23 0.52 -0.09 -0.67 0.00 0.00 178.83 178.65 3g5m h ARG 210 N 0.35 1.25 0.00 1.46 2.43 -0.34 -2.68 114.38 116.86 3g5m h ARG 210 Ca 0.19 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3g5m h ARG 210 Cb 0.15 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3g5m h ARG 210 CO -0.17 0.90 -0.05 -0.07 -1.51 0.00 0.00 179.97 179.07 3g5m h LEU 211 N 1.26 0.00 -1.35 3.80 3.38 -0.28 -2.31 115.31 119.81 3g5m h LEU 211 Ca 0.32 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.52 3g5m h LEU 211 Cb -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3g5m h LEU 211 CO -0.06 0.05 0.63 1.56 0.09 0.00 0.00 178.44 180.71 3g5m h GLN 212 N 0.00 0.47 0.00 1.13 4.20 -1.11 -2.95 115.11 116.84 3g5m h GLN 212 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3g5m h GLN 212 Cb 0.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3g5m h GLN 212 CO 0.01 0.31 -0.26 0.25 -0.67 0.00 0.00 178.83 178.46 3g5m n THR 213 N -4.61 1.92 -0.20 -0.54 -2.24 -0.88 -4.81 114.28 102.92 3g5m n THR 213 Ca 0.23 -2.60 0.02 0.00 -2.27 0.00 0.00 64.05 59.43 3g5m n THR 213 Cb 0.74 -0.18 0.27 0.00 -2.10 0.00 0.00 70.33 69.06 3g5m n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3g5m h ILE 214 N 0.85 1.16 0.00 2.28 6.09 -1.37 0.10 117.51 126.62 3g5m h ILE 214 Ca -0.01 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3g5m h ILE 214 Cb 1.04 0.13 0.00 0.00 0.47 0.00 0.00 36.82 38.45 3g5m h ILE 214 CO 0.00 0.17 0.00 0.79 -3.07 0.00 0.00 178.15 176.05 3g5m n TRP 215 N -4.43 0.01 0.25 2.19 7.02 -1.26 -2.48 117.44 118.73 3g5m n TRP 215 Ca 0.08 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.68 3g5m n TRP 215 Cb 0.06 -0.51 -0.03 0.00 -2.42 0.00 0.00 31.31 28.41 3g5m n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3g5m n LYS 216 N -1.51 0.50 -1.78 -0.99 4.76 0.34 -4.98 118.16 114.50 3g5m n LYS 216 Ca 0.03 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.10 3g5m n LYS 216 Cb 0.16 -1.67 0.05 0.00 -1.84 0.00 0.00 35.03 31.73 3g5m n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3g5m s GLU 217 N -3.34 2.89 -0.07 1.97 2.02 -1.04 -5.03 118.70 116.11 3g5m s GLU 217 Ca -0.01 2.14 -0.14 0.00 0.02 0.00 0.00 54.97 56.99 3g5m s GLU 217 Cb 0.12 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 3g5m s GLU 217 CO 0.82 -1.36 0.34 -1.21 0.02 0.00 0.00 175.26 173.88 3g5m s GLU 218 N -3.12 3.97 0.78 1.61 2.02 -1.26 -5.08 118.70 117.61 3g5m s GLU 218 Ca 0.76 0.25 -0.15 0.00 0.02 0.00 0.00 54.97 55.86 3g5m s GLU 218 Cb -0.39 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.57 3g5m s GLU 218 CO 0.44 0.54 0.85 -0.35 0.02 0.00 0.00 175.26 176.76 3g5m n PRO 219 N 2.47 0.26 -1.60 0.39 -0.04 -1.26 -4.67 135.00 130.54 3g5m n PRO 219 Ca -0.14 0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.16 3g5m n PRO 219 Cb 0.53 -2.14 0.05 0.00 -0.04 0.00 0.00 33.50 31.90 3g5m n PRO 219 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3g5m s ILE 220 N -2.00 4.04 -0.37 0.52 -4.36 0.19 -4.96 121.20 114.25 3g5m s ILE 220 Ca 0.69 0.68 -0.28 0.00 -0.26 0.00 0.00 60.65 61.48 3g5m s ILE 220 Cb -0.31 -3.41 0.02 0.00 1.25 0.00 0.00 42.46 40.00 3g5m s ILE 220 CO 0.55 -0.85 1.04 -2.16 0.24 0.00 0.00 174.94 173.76 3g5m s PRO 221 N -4.99 3.92 -1.22 0.37 0.04 -1.26 -4.72 135.00 127.14 3g5m s PRO 221 Ca 0.58 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 3g5m s PRO 221 Cb -0.14 -3.80 0.19 0.00 0.04 0.00 0.00 34.50 30.79 3g5m s PRO 221 CO 0.54 -1.02 1.57 0.00 0.04 0.00 0.00 177.00 178.13 3g5m s THR 223 N 0.54 1.56 0.35 0.00 -4.23 -1.26 -4.97 115.64 107.63 3g5m s THR 223 Ca 0.40 -2.14 0.09 0.00 -1.18 0.00 0.00 61.69 58.85 3g5m s THR 223 Cb 0.02 -2.24 0.32 0.00 1.34 0.00 0.00 72.50 71.94 3g5m s THR 223 CO 0.00 -0.44 1.85 0.00 -0.54 0.00 0.00 174.62 175.49 3g5m h ALA 224 N 2.44 1.82 0.18 3.99 0.00 -2.00 -2.01 119.26 123.69 3g5m h ALA 224 Ca -0.39 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3g5m h ALA 224 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3g5m h ALA 224 CO 0.65 -0.10 -0.10 1.25 0.00 0.00 0.00 179.25 180.95 3g5m h HIS 225 N 0.70 -0.25 -0.45 0.00 -0.00 -1.95 0.17 115.15 113.38 3g5m h HIS 225 Ca 0.48 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.93 3g5m h HIS 225 Cb 0.80 0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 28.22 3g5m h HIS 225 CO -0.00 -0.15 0.03 2.35 -0.00 0.00 0.00 177.93 180.16 3g5m h TRP 226 N -0.26 0.04 -0.18 5.26 7.01 -1.67 0.24 115.95 126.39 3g5m h TRP 226 Ca -0.02 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.82 3g5m h TRP 226 Cb 0.20 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 3g5m h TRP 226 CO -0.07 -0.06 -0.66 0.45 -2.79 0.00 0.00 178.44 175.31 3g5m h HIS 227 N 0.15 0.87 0.00 2.65 3.86 -1.00 -3.41 115.15 118.28 3g5m h HIS 227 Ca 0.23 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3g5m h HIS 227 Cb 0.32 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3g5m h HIS 227 CO -0.26 1.14 -0.80 1.19 0.86 0.00 0.00 177.93 180.06 3g5m n PHE 228 N -3.94 0.00 0.00 2.45 3.72 0.57 -4.11 117.46 116.16 3g5m n PHE 228 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3g5m n PHE 228 Cb 0.68 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3g5m n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g5m n GLY 229 N 2.57 -1.03 0.00 1.37 0.00 0.83 -5.01 105.19 103.92 3g5m n GLY 229 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3g5m n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14