#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cwy n VAL 48 N 0.00 0.15 -3.70 2.62 0.31 -1.23 -4.55 118.33 111.93 3cwy n VAL 48 Ca 0.00 -0.03 -0.37 0.00 -0.01 0.00 0.00 64.34 63.93 3cwy n VAL 48 Cb 0.00 -1.67 -0.10 0.00 -0.91 0.00 0.00 33.84 31.16 3cwy n VAL 48 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3cwy s ASN 49 N 1.73 5.36 0.00 4.52 4.22 -1.26 0.57 114.94 130.07 3cwy s ASN 49 Ca 0.82 -2.41 0.00 0.00 -2.14 0.00 0.00 52.86 49.12 3cwy s ASN 49 Cb -0.66 -1.88 0.00 0.00 1.28 0.00 0.00 41.25 39.99 3cwy s ASN 49 CO 0.40 -0.49 0.00 -2.65 -2.04 0.00 0.00 177.10 172.33 3cwy n PRO 50 N 4.11 3.61 0.00 3.55 -0.02 -1.23 -4.92 135.00 140.11 3cwy n PRO 50 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3cwy n PRO 50 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3cwy n PRO 50 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3cwy n ASP 51 N 0.00 0.00 -4.11 2.55 3.85 -1.26 -4.81 116.55 112.76 3cwy n ASP 51 Ca 0.00 0.00 -0.26 0.00 -0.71 0.00 0.00 54.79 53.82 3cwy n ASP 51 Cb 0.00 0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 39.61 3cwy n ASP 51 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3cwy s ILE 52 N -0.73 1.39 -0.05 2.12 1.01 -1.26 -4.98 121.20 118.70 3cwy s ILE 52 Ca 0.00 -0.68 0.20 0.00 0.00 0.00 0.00 60.65 60.17 3cwy s ILE 52 Cb 0.00 -1.21 -0.30 0.00 0.01 0.00 0.00 42.46 40.96 3cwy s ILE 52 CO 0.00 0.40 0.44 -0.38 0.00 0.00 0.00 174.94 175.40 3cwy n ILE 53 N 3.30 0.00 0.03 2.92 2.08 -1.26 -4.33 119.36 122.09 3cwy n ILE 53 Ca -0.19 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.68 3cwy n ILE 53 Cb 0.53 0.07 0.00 0.00 -0.75 0.00 0.00 39.64 39.49 3cwy n ILE 53 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 3cwy n LYS 54 N -2.16 0.03 0.00 0.38 2.85 -1.26 -4.33 118.16 113.66 3cwy n LYS 54 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3cwy n LYS 54 Cb 0.51 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 3cwy n LYS 54 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3cwy n ASP 55 N 0.83 0.00 -4.51 -5.58 8.00 -1.26 -5.12 116.55 108.92 3cwy n ASP 55 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 3cwy n ASP 55 Cb 0.01 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.22 3cwy n ASP 55 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3cwy n GLU 56 N 0.00 -0.02 -2.38 -1.24 0.28 -1.26 -4.99 120.64 111.03 3cwy n GLU 56 Ca 0.00 0.05 -0.27 0.00 -0.16 0.00 0.00 57.16 56.78 3cwy n GLU 56 Cb 0.00 -2.01 0.03 0.00 1.43 0.00 0.00 31.44 30.89 3cwy n GLU 56 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3cwy s VAL 57 N -2.20 3.81 -0.08 3.84 1.01 -1.26 -4.95 120.40 120.57 3cwy s VAL 57 Ca 0.64 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3cwy s VAL 57 Cb -0.27 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3cwy s VAL 57 CO 0.60 -0.53 0.19 -0.36 0.00 0.00 0.00 175.10 175.00 3cwy s PHE 58 N -2.99 -0.23 -0.59 5.22 0.08 -1.26 -5.05 117.98 113.16 3cwy s PHE 58 Ca 0.53 0.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.10 3cwy s PHE 58 Cb -0.11 0.05 0.10 0.00 -0.57 0.00 0.00 43.02 42.49 3cwy s PHE 58 CO 0.46 -0.13 2.65 -3.47 -0.10 0.00 0.00 175.22 174.62 3cwy n ASP 59 N 3.38 6.75 -3.99 1.36 4.64 -1.26 -4.82 116.55 122.60 3cwy n ASP 59 Ca -0.17 -3.27 -0.19 0.00 -1.38 0.00 0.00 54.79 49.78 3cwy n ASP 59 Cb 0.57 -1.23 -0.15 0.00 -1.04 0.00 0.00 41.12 39.27 3cwy n ASP 59 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3cwy s PHE 60 N -1.94 0.77 0.06 -0.67 0.08 -1.26 -5.08 117.98 109.95 3cwy s PHE 60 Ca 0.57 -0.17 -0.16 0.00 0.12 0.00 0.00 56.93 57.30 3cwy s PHE 60 Cb 0.37 -0.54 -0.20 0.00 -0.57 0.00 0.00 43.02 42.08 3cwy s PHE 60 CO -0.23 -0.06 1.22 0.28 -0.10 0.00 0.00 175.22 176.33 3cwy h VAL 61 N 5.21 1.33 -0.97 -0.44 2.07 -1.99 -2.19 116.25 119.26 3cwy h VAL 61 Ca -0.32 -2.03 0.21 0.00 0.82 0.00 0.00 66.70 65.38 3cwy h VAL 61 Cb 1.18 2.25 -0.11 0.00 -1.52 0.00 0.00 31.29 33.08 3cwy h VAL 61 CO 0.49 0.62 0.56 -0.29 0.02 0.00 0.00 177.57 178.97 3cwy h ILE 62 N 0.28 0.62 -0.21 4.57 6.09 -1.98 0.76 117.51 127.64 3cwy h ILE 62 Ca -0.07 -0.22 -0.21 0.00 -1.37 0.00 0.00 64.86 62.99 3cwy h ILE 62 Cb 1.40 -0.08 0.01 0.00 0.47 0.00 0.00 36.82 38.62 3cwy h ILE 62 CO 0.15 0.12 -0.68 0.58 -3.07 0.00 0.00 178.15 175.24 3cwy h VAL 63 N 0.64 1.27 0.13 2.19 2.07 -1.90 0.37 116.25 121.01 3cwy h VAL 63 Ca 0.59 -1.87 -0.27 0.00 0.82 0.00 0.00 66.70 65.96 3cwy h VAL 63 Cb 1.01 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3cwy h VAL 63 CO -0.43 0.60 -1.25 0.78 0.02 0.00 0.00 177.57 177.29 3cwy h ASN 64 N 0.60 0.41 0.39 0.57 -0.26 -0.40 -2.05 115.58 114.85 3cwy h ASN 64 Ca -0.02 -0.45 -0.31 0.00 -0.56 0.00 0.00 56.30 54.95 3cwy h ASN 64 Cb 1.31 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 38.39 3cwy h ASN 64 CO 0.15 1.35 -1.77 -0.09 -1.06 0.00 0.00 177.43 176.01 3cwy h ARG 65 N 0.07 0.09 0.00 0.81 9.65 0.35 -3.42 114.38 121.93 3cwy h ARG 65 Ca -0.14 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3cwy h ARG 65 Cb 1.97 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.61 3cwy h ARG 65 CO 0.20 0.73 0.00 0.28 2.80 0.00 0.00 179.97 183.98 3cwy n VAL 66 N -3.19 1.08 -0.25 0.20 0.31 -0.66 -4.73 118.33 111.09 3cwy n VAL 66 Ca -0.21 0.36 0.05 0.00 -0.01 0.00 0.00 64.34 64.53 3cwy n VAL 66 Cb 1.05 -1.49 0.18 0.00 -0.91 0.00 0.00 33.84 32.67 3cwy n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3cwy h LEU 67 N 0.00 0.25 -0.27 7.52 4.07 -1.04 -1.42 115.31 124.41 3cwy h LEU 67 Ca 0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3cwy h LEU 67 Cb 0.00 0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3cwy h LEU 67 CO 0.00 0.09 0.00 0.11 -1.08 0.00 0.00 178.44 177.56 3cwy h LYS 68 N 0.42 0.00 -0.73 1.13 1.57 -1.61 -2.84 116.57 114.51 3cwy h LYS 68 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3cwy h LYS 68 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3cwy h LYS 68 CO -0.41 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.10 3cwy n LYS 69 N -2.43 2.70 -2.89 3.15 5.02 -0.55 -4.88 118.16 118.29 3cwy n LYS 69 Ca 0.04 -2.64 -0.42 0.00 -2.02 0.00 0.00 58.31 53.27 3cwy n LYS 69 Cb 0.39 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3cwy n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3cwy s ILE 70 N -1.02 4.64 0.18 -0.18 1.01 -1.08 -4.94 121.20 119.82 3cwy s ILE 70 Ca 0.49 0.94 -0.16 0.00 0.00 0.00 0.00 60.65 61.92 3cwy s ILE 70 Cb 0.25 -4.29 0.15 0.00 0.01 0.00 0.00 42.46 38.59 3cwy s ILE 70 CO 0.33 -0.54 1.64 0.11 0.00 0.00 0.00 174.94 176.48 3cwy h LYS 71 N 8.59 -0.04 -2.23 2.79 1.57 -1.89 -3.23 116.57 122.13 3cwy h LYS 71 Ca -0.24 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.95 3cwy h LYS 71 Cb 1.09 0.01 -0.42 0.00 0.08 0.00 0.00 32.23 32.99 3cwy h LYS 71 CO 0.95 -0.03 -0.62 -3.47 -0.57 0.00 0.00 179.45 175.72 3cwy n ASP 72 N -5.38 4.02 -0.33 0.86 2.03 -1.26 -4.93 116.55 111.57 3cwy n ASP 72 Ca 0.04 -3.54 0.36 0.00 0.52 0.00 0.00 54.79 52.18 3cwy n ASP 72 Cb 0.28 -0.63 0.72 0.00 -0.72 0.00 0.00 41.12 40.78 3cwy n ASP 72 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3cwy h LEU 73 N 3.69 0.00 -0.49 -2.67 5.85 -1.92 0.27 115.31 120.05 3cwy h LEU 73 Ca 0.17 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3cwy h LEU 73 Cb 0.60 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3cwy h LEU 73 CO 0.83 0.00 -0.39 0.50 -0.34 0.00 0.00 178.44 179.04 3cwy h LYS 74 N 0.00 0.00 -0.46 1.25 3.64 -1.93 -3.22 116.57 115.85 3cwy h LYS 74 Ca 0.58 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 60.10 3cwy h LYS 74 Cb 2.51 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.32 3cwy h LYS 74 CO -0.01 0.39 0.44 1.25 -2.27 0.00 0.00 179.45 179.26 3cwy h HIS 75 N 0.00 0.00 -0.42 1.91 2.76 -0.88 -2.23 115.15 116.29 3cwy h HIS 75 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3cwy h HIS 75 Cb 1.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.07 3cwy h HIS 75 CO 0.00 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.29 3cwy n TYR 76 N -3.86 0.78 -3.71 5.26 4.02 -1.21 -4.74 117.16 113.70 3cwy n TYR 76 Ca 0.08 -0.60 -0.25 0.00 -0.01 0.00 0.00 57.90 57.13 3cwy n TYR 76 Cb 0.64 -0.12 0.03 0.00 -0.02 0.00 0.00 39.34 39.87 3cwy n TYR 76 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3cwy n ASP 77 N 0.51 -2.76 -3.18 7.72 10.43 -0.84 -0.53 116.55 127.90 3cwy n ASP 77 Ca 0.17 -0.91 -0.16 0.00 2.57 0.00 0.00 54.79 56.46 3cwy n ASP 77 Cb 0.62 -3.74 0.16 0.00 1.84 0.00 0.00 41.12 40.00 3cwy n ASP 77 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 3cwy n PRO 78 N -4.18 -2.99 0.00 -0.24 -0.04 -1.26 -4.53 135.00 121.76 3cwy n PRO 78 Ca -0.22 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 3cwy n PRO 78 Cb 0.65 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 3cwy n PRO 78 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3cwy n ILE 80 N -4.45 0.00 -3.75 0.52 5.41 -1.26 -4.98 119.36 110.85 3cwy n ILE 80 Ca 0.07 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.50 3cwy n ILE 80 Cb 0.32 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.20 3cwy n ILE 80 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3cwy s GLU 81 N -0.13 3.57 -0.01 0.38 2.02 -0.60 -3.48 118.70 120.45 3cwy s GLU 81 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 3cwy s GLU 81 Cb 0.00 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 3cwy s GLU 81 CO 0.00 0.54 0.08 0.21 0.02 0.00 0.00 175.26 176.11 3cwy s LYS 82 N -2.41 3.06 -0.15 1.61 2.20 0.19 -1.25 119.74 123.00 3cwy s LYS 82 Ca 0.36 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 3cwy s LYS 82 Cb -0.13 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 3cwy s LYS 82 CO 0.23 0.65 -0.02 0.42 -0.36 0.00 0.00 175.35 176.28 3cwy s ILE 83 N -1.17 4.09 0.00 5.43 1.01 0.78 0.38 121.20 131.72 3cwy s ILE 83 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3cwy s ILE 83 Cb -0.12 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3cwy s ILE 83 CO 0.13 0.50 0.00 2.22 0.00 0.00 0.00 174.94 177.79 3cwy n PHE 84 N 3.35 0.00 -2.44 3.97 -1.74 -1.26 -2.72 117.46 116.62 3cwy n PHE 84 Ca -0.17 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.70 3cwy n PHE 84 Cb 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 3cwy n PHE 84 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3cwy n ASP 85 N 0.00 -6.49 -0.15 5.98 4.64 -1.13 -4.73 116.55 114.68 3cwy n ASP 85 Ca 0.00 0.85 0.00 0.00 -1.38 0.00 0.00 54.79 54.26 3cwy n ASP 85 Cb 0.00 -4.26 0.00 0.00 -1.04 0.00 0.00 41.12 35.82 3cwy n ASP 85 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3cwy n GLU 86 N 0.23 0.00 0.00 -0.67 4.07 -1.26 -4.88 120.64 118.13 3cwy n GLU 86 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3cwy n GLU 86 Cb 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.50 3cwy n GLU 86 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3cwy n LYS 87 N 0.00 0.00 -0.64 5.31 3.00 -1.26 -5.07 118.16 119.50 3cwy n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3cwy n LYS 87 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.23 3cwy n LYS 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cwy n GLY 88 N -1.37 1.02 3.01 3.14 0.00 -1.26 -5.14 105.19 104.58 3cwy n GLY 88 Ca 0.00 -1.99 0.01 0.00 0.00 0.00 0.00 46.02 44.05 3cwy n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cwy s LYS 89 N -1.95 0.54 -0.06 1.61 2.20 -1.26 -2.82 119.74 118.00 3cwy s LYS 89 Ca 0.00 -0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.38 3cwy s LYS 89 Cb 0.00 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.40 3cwy s LYS 89 CO 0.00 -0.78 0.09 -0.85 -0.36 0.00 0.00 175.35 173.45 3cwy n GLU 90 N 4.07 -2.12 -0.44 4.03 0.28 -1.26 -4.90 120.64 120.30 3cwy n GLU 90 Ca 0.09 1.86 -0.28 0.00 -0.16 0.00 0.00 57.16 58.66 3cwy n GLU 90 Cb 0.60 -2.72 0.24 0.00 1.43 0.00 0.00 31.44 30.99 3cwy n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3cwy n GLY 92 N 0.77 -2.82 2.94 -1.84 0.00 -1.10 -4.99 105.19 98.15 3cwy n GLY 92 Ca -0.15 -1.22 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 3cwy n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cwy s LEU 93 N -5.20 1.69 -0.29 0.99 2.96 0.32 -0.16 118.68 118.99 3cwy s LEU 93 Ca 0.61 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 3cwy s LEU 93 Cb -0.16 -0.40 0.08 0.00 0.50 0.00 0.00 46.19 46.21 3cwy s LEU 93 CO 0.58 0.02 -0.03 0.21 -1.32 0.00 0.00 176.35 175.81 3cwy s ASN 94 N 0.34 4.56 -0.09 3.68 2.47 -0.38 -0.23 114.94 125.30 3cwy s ASN 94 Ca -0.04 -1.73 -0.00 0.00 0.42 0.00 0.00 52.86 51.51 3cwy s ASN 94 Cb -0.08 -1.56 -0.03 0.00 -1.45 0.00 0.00 41.25 38.13 3cwy s ASN 94 CO -0.00 -0.28 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.35 3cwy s VAL 95 N 1.03 3.71 -0.09 -5.21 1.01 0.14 -1.56 120.40 119.43 3cwy s VAL 95 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3cwy s VAL 95 Cb -0.19 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3cwy s VAL 95 CO -0.07 0.58 -0.03 -0.70 0.00 0.00 0.00 175.10 174.88 3cwy s GLU 96 N -0.56 1.02 -0.07 2.72 2.12 -1.26 -0.49 118.70 122.18 3cwy s GLU 96 Ca 0.08 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.37 3cwy s GLU 96 Cb -0.12 -1.23 -0.02 0.00 0.26 0.00 0.00 34.13 33.02 3cwy s GLU 96 CO 0.02 -0.27 -0.12 0.42 -0.54 0.00 0.00 175.26 174.76 3cwy s ILE 97 N 1.79 3.22 -0.33 -3.70 -1.09 0.13 -4.33 121.20 116.89 3cwy s ILE 97 Ca 0.04 -0.65 -0.21 0.00 -2.23 0.00 0.00 60.65 57.60 3cwy s ILE 97 Cb -0.13 -2.29 -0.00 0.00 -1.58 0.00 0.00 42.46 38.46 3cwy s ILE 97 CO -0.06 0.58 0.69 -1.10 -1.23 0.00 0.00 174.94 173.81 3cwy s GLN 98 N -0.52 3.81 0.29 2.79 -1.52 0.31 -0.07 119.66 124.75 3cwy s GLN 98 Ca 0.07 0.26 0.16 0.00 -1.95 0.00 0.00 55.36 53.90 3cwy s GLN 98 Cb -0.12 -3.77 0.18 0.00 -0.22 0.00 0.00 33.01 29.09 3cwy s GLN 98 CO 0.02 -0.70 1.50 0.82 -0.25 0.00 0.00 175.29 176.68 3cwy h ILE 99 N 5.64 0.89 -3.21 1.08 2.04 -0.58 -3.34 117.51 120.02 3cwy h ILE 99 Ca -0.26 -2.12 -0.64 0.00 1.00 0.00 0.00 64.86 62.85 3cwy h ILE 99 Cb 1.11 2.34 -0.41 0.00 -0.74 0.00 0.00 36.82 39.12 3cwy h ILE 99 CO 0.85 0.48 -0.53 0.21 0.00 0.00 0.00 178.15 179.16 3cwy s ASN 100 N -6.45 4.83 0.00 1.72 3.84 -1.15 -4.94 114.94 112.79 3cwy s ASN 100 Ca 0.03 -3.58 0.12 0.00 0.21 0.00 0.00 52.86 49.64 3cwy s ASN 100 Cb 0.08 -1.68 0.65 0.00 -0.55 0.00 0.00 41.25 39.76 3cwy s ASN 100 CO 0.73 -0.14 1.21 -0.81 -2.79 0.00 0.00 177.10 175.30 3cwy n PRO 101 N 2.37 0.27 0.08 0.43 -0.04 -1.25 -1.82 135.00 135.03 3cwy n PRO 101 Ca 0.15 0.09 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 3cwy n PRO 101 Cb 0.35 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 3cwy n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cwy h GLU 102 N 0.00 0.00 -3.31 0.54 4.39 -1.94 -3.40 114.58 110.86 3cwy h GLU 102 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 3cwy h GLU 102 Cb 0.05 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.30 3cwy h GLU 102 CO 0.00 0.89 -0.73 0.08 -1.16 0.00 0.00 179.01 178.10 3cwy s VAL 103 N -2.85 1.51 0.17 3.13 1.01 -0.76 -5.09 120.40 117.52 3cwy s VAL 103 Ca 0.01 -2.38 -0.33 0.00 0.00 0.00 0.00 61.98 59.28 3cwy s VAL 103 Cb 0.10 -2.08 -0.15 0.00 0.00 0.00 0.00 36.38 34.25 3cwy s VAL 103 CO 0.80 -0.81 1.30 1.17 0.00 0.00 0.00 175.10 177.56 3cwy n LYS 104 N 3.83 1.49 -1.07 2.72 4.81 -1.26 -0.97 118.16 127.72 3cwy n LYS 104 Ca 0.06 0.53 -0.02 0.00 -0.87 0.00 0.00 58.31 58.00 3cwy n LYS 104 Cb 0.36 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 33.28 3cwy n LYS 104 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3cwy n ASP 105 N 2.28 -4.71 0.08 3.14 10.43 -1.26 -4.86 116.55 121.65 3cwy n ASP 105 Ca 0.15 0.06 -0.13 0.00 2.57 0.00 0.00 54.79 57.43 3cwy n ASP 105 Cb 0.26 -2.41 -0.06 0.00 1.84 0.00 0.00 41.12 40.75 3cwy n ASP 105 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 3cwy h PHE 106 N 0.00 0.55 -2.18 1.24 3.57 -1.32 -3.42 116.94 115.38 3cwy h PHE 106 Ca -0.05 -0.32 -0.34 0.00 3.53 0.00 0.00 57.97 60.79 3cwy h PHE 106 Cb 0.63 -0.06 -0.34 0.00 2.79 0.00 0.00 35.95 38.98 3cwy h PHE 106 CO 0.37 1.15 -0.65 0.12 -2.23 0.00 0.00 178.31 177.07 3cwy s PHE 107 N -3.16 -0.42 0.23 0.41 5.36 -1.25 -0.50 117.98 118.65 3cwy s PHE 107 Ca -0.05 -0.23 0.10 0.00 -0.96 0.00 0.00 56.93 55.79 3cwy s PHE 107 Cb 0.09 -0.49 -0.05 0.00 -0.34 0.00 0.00 43.02 42.23 3cwy s PHE 107 CO 0.86 -0.92 -0.19 0.95 -1.46 0.00 0.00 175.22 174.47 3cwy s THR 108 N 2.33 2.13 -0.13 0.12 -4.23 -0.25 0.15 115.64 115.76 3cwy s THR 108 Ca 0.10 -2.21 0.02 0.00 -1.18 0.00 0.00 61.69 58.41 3cwy s THR 108 Cb -0.14 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3cwy s THR 108 CO -0.33 -0.40 -0.19 0.12 -0.54 0.00 0.00 174.62 173.28 3cwy s PHE 109 N -2.44 2.38 0.06 3.99 5.36 0.90 -1.48 117.98 126.75 3cwy s PHE 109 Ca 0.24 -1.19 0.09 0.00 -0.96 0.00 0.00 56.93 55.11 3cwy s PHE 109 Cb -0.04 -1.66 -0.03 0.00 -0.34 0.00 0.00 43.02 40.95 3cwy s PHE 109 CO 0.10 -0.57 -0.24 0.15 -1.46 0.00 0.00 175.22 173.20 3cwy s LYS 110 N 0.93 1.81 -0.04 10.12 1.02 -0.64 0.17 119.74 133.11 3cwy s LYS 110 Ca -0.06 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 3cwy s LYS 110 Cb -0.15 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3cwy s LYS 110 CO -0.03 0.51 0.01 0.45 -0.92 0.00 0.00 175.35 175.38 3cwy s SER 111 N -1.43 0.95 -0.27 2.83 0.15 0.36 -1.34 113.70 114.94 3cwy s SER 111 Ca 0.13 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.70 3cwy s SER 111 Cb -0.10 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 63.94 3cwy s SER 111 CO 0.04 -0.16 0.06 -0.63 1.20 0.00 0.00 173.24 173.75 3cwy s ILE 112 N 1.58 3.99 -0.08 6.45 1.01 -0.42 -0.69 121.20 133.04 3cwy s ILE 112 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3cwy s ILE 112 Cb -0.13 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3cwy s ILE 112 CO -0.03 0.19 -0.07 -0.44 0.00 0.00 0.00 174.94 174.59 3cwy s SER 113 N 1.53 4.60 0.20 3.58 0.01 0.68 -0.61 113.70 123.70 3cwy s SER 113 Ca 0.04 -0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 3cwy s SER 113 Cb -0.16 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 3cwy s SER 113 CO 0.02 0.33 0.11 0.42 0.41 0.00 0.00 173.24 174.52 3cwy s THR 114 N -0.59 0.15 0.00 1.44 -4.23 0.29 -0.52 115.64 112.19 3cwy s THR 114 Ca 0.09 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3cwy s THR 114 Cb -0.12 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3cwy s THR 114 CO 0.02 -0.09 0.00 0.41 -0.54 0.00 0.00 174.62 174.42 3cwy n THR 115 N -0.28 0.00 -0.05 3.99 -1.04 -1.26 -3.17 114.28 112.47 3cwy n THR 115 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3cwy n THR 115 Cb 0.66 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.12 3cwy n THR 115 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3cwy n ASN 116 N -0.90 1.87 -4.97 8.00 4.13 -1.26 -5.07 115.26 117.05 3cwy n ASN 116 Ca 0.00 0.05 -0.20 0.00 1.68 0.00 0.00 54.58 56.11 3cwy n ASN 116 Cb 0.00 -0.25 0.03 0.00 -1.54 0.00 0.00 39.78 38.02 3cwy n ASN 116 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3cwy s LYS 117 N -2.20 2.56 -0.06 3.52 -2.85 -1.19 -5.14 119.74 114.38 3cwy s LYS 117 Ca -0.15 -0.93 -0.04 0.00 -1.00 0.00 0.00 55.97 53.85 3cwy s LYS 117 Cb 0.05 -2.55 0.02 0.00 -2.06 0.00 0.00 37.83 33.29 3cwy s LYS 117 CO 0.21 -0.65 0.14 -1.14 0.10 0.00 0.00 175.35 174.01 3cwy s GLN 118 N -4.68 0.14 0.02 1.78 0.74 -1.26 -0.54 119.66 115.85 3cwy s GLN 118 Ca 0.57 0.25 0.08 0.00 0.05 0.00 0.00 55.36 56.32 3cwy s GLN 118 Cb -0.10 -0.01 -0.02 0.00 1.10 0.00 0.00 33.01 33.97 3cwy s GLN 118 CO 0.37 -0.07 -0.25 1.03 -0.55 0.00 0.00 175.29 175.82 3cwy s ARG 119 N 0.46 1.81 0.02 1.67 0.52 0.23 -4.85 118.95 118.81 3cwy s ARG 119 Ca -0.03 -1.01 0.07 0.00 -0.52 0.00 0.00 55.73 54.24 3cwy s ARG 119 Cb -0.05 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 3cwy s ARG 119 CO -0.02 0.50 -0.20 0.00 0.02 0.00 0.00 175.30 175.60 3cwy s PHE 121 N -0.85 0.36 -0.00 0.00 0.40 -0.45 0.11 117.98 117.54 3cwy s PHE 121 Ca 0.13 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 3cwy s PHE 121 Cb -0.10 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 3cwy s PHE 121 CO 0.03 -0.08 -0.21 -0.51 0.70 0.00 0.00 175.22 175.15 3cwy s LEU 122 N -0.91 2.07 -0.13 -0.37 1.43 0.41 -1.62 118.68 119.56 3cwy s LEU 122 Ca -0.07 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3cwy s LEU 122 Cb -0.06 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.09 3cwy s LEU 122 CO -0.00 0.24 -0.15 -0.44 0.23 0.00 0.00 176.35 176.23 3cwy s SER 123 N -0.66 2.65 -0.18 2.29 0.01 -0.55 -1.03 113.70 116.24 3cwy s SER 123 Ca 0.08 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 3cwy s SER 123 Cb -0.08 -1.18 0.04 0.00 0.21 0.00 0.00 66.02 65.01 3cwy s SER 123 CO -0.00 -0.01 -0.07 -0.22 0.41 0.00 0.00 173.24 173.35 3cwy s LEU 124 N 1.23 1.81 -1.22 2.44 2.96 -0.70 -1.09 118.68 124.10 3cwy s LEU 124 Ca -0.01 -0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 3cwy s LEU 124 Cb -0.14 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 3cwy s LEU 124 CO -0.06 -0.17 0.86 0.54 -1.32 0.00 0.00 176.35 176.19 3cwy n ARG 125 N 4.82 -5.06 0.00 1.98 1.74 0.34 -2.11 116.66 118.37 3cwy n ARG 125 Ca -0.13 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 3cwy n ARG 125 Cb 0.47 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 3cwy n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cwy n GLY 126 N -1.35 2.95 3.61 -0.13 0.00 -1.26 -5.00 105.19 104.01 3cwy n GLY 126 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3cwy n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cwy s GLU 127 N -0.18 3.98 -0.07 1.61 2.12 -0.90 -5.06 118.70 120.20 3cwy s GLU 127 Ca 0.00 0.40 -0.07 0.00 0.36 0.00 0.00 54.97 55.66 3cwy s GLU 127 Cb 0.00 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 3cwy s GLU 127 CO 0.00 -0.52 0.19 0.99 -0.54 0.00 0.00 175.26 175.38 3cwy s THR 128 N 2.58 5.43 -0.06 -1.70 2.01 -1.26 -1.73 115.64 120.92 3cwy s THR 128 Ca 0.26 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 3cwy s THR 128 Cb -0.15 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3cwy s THR 128 CO 0.11 0.52 0.14 -0.13 -0.69 0.00 0.00 174.62 174.57 3cwy s ARG 129 N -1.32 0.10 0.55 4.92 0.52 -0.19 -5.00 118.95 118.53 3cwy s ARG 129 Ca 0.20 0.33 -0.18 0.00 -0.52 0.00 0.00 55.73 55.56 3cwy s ARG 129 Cb -0.13 -0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 3cwy s ARG 129 CO 0.09 -0.13 1.06 -2.00 0.02 0.00 0.00 175.30 174.34 3cwy s GLU 130 N 0.94 3.46 0.01 3.54 2.12 -1.26 -0.45 118.70 127.05 3cwy s GLU 130 Ca -0.07 1.33 0.01 0.00 0.36 0.00 0.00 54.97 56.59 3cwy s GLU 130 Cb -0.09 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 3cwy s GLU 130 CO -0.05 -0.71 -0.03 -1.50 -0.54 0.00 0.00 175.26 172.43 3cwy s ILE 131 N -2.18 0.18 -0.13 -3.70 1.10 0.29 -4.82 121.20 111.94 3cwy s ILE 131 Ca 0.66 -0.39 -0.36 0.00 -0.51 0.00 0.00 60.65 60.06 3cwy s ILE 131 Cb -0.17 -0.22 -0.13 0.00 0.15 0.00 0.00 42.46 42.09 3cwy s ILE 131 CO 0.30 -0.13 1.82 -0.11 -2.11 0.00 0.00 174.94 174.70 3cwy n LEU 132 N 2.52 3.11 -4.56 8.50 7.94 -1.26 -3.54 117.00 129.70 3cwy n LEU 132 Ca -0.16 1.01 -0.39 0.00 -1.11 0.00 0.00 56.01 55.35 3cwy n LEU 132 Cb 0.58 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 3cwy n LEU 132 CO 0.24 -0.19 1.61 0.00 -1.11 0.00 0.00 177.39 177.95 3cwy s ASP 134 N 7.84 0.71 0.44 0.00 3.84 -1.26 -5.03 116.67 123.20 3cwy s ASP 134 Ca 0.73 -1.43 0.21 0.00 -0.00 0.00 0.00 52.55 52.06 3cwy s ASP 134 Cb -0.15 0.55 1.18 0.00 -1.38 0.00 0.00 42.92 43.11 3cwy s ASP 134 CO 0.25 -1.09 1.84 -0.55 -0.00 0.00 0.00 175.17 175.61 3cwy h ASN 135 N 2.29 0.33 -0.87 2.11 -1.07 -1.98 -0.35 115.58 116.03 3cwy h ASN 135 Ca -0.29 0.04 0.04 0.00 0.07 0.00 0.00 56.30 56.16 3cwy h ASN 135 Cb 1.24 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 37.43 3cwy h ASN 135 CO 0.42 0.11 0.56 0.11 0.07 0.00 0.00 177.43 178.69 3cwy h LYS 136 N 0.32 1.05 -0.04 4.14 1.57 -1.96 -1.38 116.57 120.26 3cwy h LYS 136 Ca 0.50 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.98 3cwy h LYS 136 Cb 1.41 -0.24 0.02 0.00 0.08 0.00 0.00 32.23 33.50 3cwy h LYS 136 CO -0.17 0.69 -0.91 1.25 -0.57 0.00 0.00 179.45 179.74 3cwy h LEU 137 N 1.08 0.87 -0.62 2.94 5.85 -1.43 -3.20 115.31 120.81 3cwy h LEU 137 Ca 0.35 -0.71 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3cwy h LEU 137 Cb 0.02 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3cwy h LEU 137 CO -0.12 1.46 0.35 1.88 -0.34 0.00 0.00 178.44 181.66 3cwy h TYR 138 N 0.37 0.64 0.00 1.25 0.05 -1.07 0.34 116.97 118.54 3cwy h TYR 138 Ca -0.10 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3cwy h TYR 138 Cb 1.56 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 39.10 3cwy h TYR 138 CO 0.10 0.32 0.00 0.09 -1.05 0.00 0.00 178.16 177.63 3cwy n ASN 139 N -4.80 1.24 0.00 3.88 5.03 -0.53 -0.76 115.26 119.32 3cwy n ASN 139 Ca 0.07 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.52 3cwy n ASN 139 Cb 0.14 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 3cwy n ASN 139 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3cwy n LEU 141 N 0.62 0.00 0.05 3.41 4.77 0.12 -0.36 117.00 125.60 3cwy n LEU 141 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3cwy n LEU 141 Cb 0.22 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3cwy n LEU 141 CO 0.00 0.00 0.18 -0.07 -1.33 0.00 0.00 177.39 176.17 3cwy h LEU 142 N 0.00 0.69 -0.94 2.23 3.38 -1.20 0.41 115.31 119.87 3cwy h LEU 142 Ca 0.00 -0.53 0.28 0.00 0.09 0.00 0.00 57.88 57.72 3cwy h LEU 142 Cb 0.00 -0.21 -0.15 0.00 0.09 0.00 0.00 40.66 40.39 3cwy h LEU 142 CO 0.00 1.32 0.37 0.00 0.09 0.00 0.00 178.44 180.22 3cwy h ALA 143 N 0.64 1.58 0.00 1.53 0.00 -0.94 0.88 119.26 122.94 3cwy h ALA 143 Ca -0.09 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3cwy h ALA 143 Cb 1.56 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3cwy h ALA 143 CO 0.17 -0.52 -0.04 0.28 0.00 0.00 0.00 179.25 179.13 3cwy h VAL 144 N 0.25 0.99 -0.77 0.00 2.07 -1.73 -3.29 116.25 113.76 3cwy h VAL 144 Ca 0.64 -1.75 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3cwy h VAL 144 Cb 1.38 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 3cwy h VAL 144 CO -0.65 0.33 0.51 -0.26 0.02 0.00 0.00 177.57 177.52 3cwy h PHE 145 N -1.00 0.92 -0.50 1.57 0.05 -0.20 -2.86 116.94 114.92 3cwy h PHE 145 Ca -0.01 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.80 3cwy h PHE 145 Cb 0.58 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.22 3cwy h PHE 145 CO 0.15 0.54 0.00 0.09 -0.18 0.00 0.00 178.31 178.91 3cwy n ASN 146 N -4.45 3.34 -0.35 2.17 5.03 0.30 -4.11 115.26 117.19 3cwy n ASN 146 Ca 0.10 -2.20 0.04 0.00 0.87 0.00 0.00 54.58 53.38 3cwy n ASN 146 Cb 0.10 -0.44 0.06 0.00 -1.02 0.00 0.00 39.78 38.48 3cwy n ASN 146 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3cwy n SER 147 N 0.89 2.06 -4.75 6.41 3.41 -1.08 -4.97 113.62 115.59 3cwy n SER 147 Ca 0.19 -1.62 -0.41 0.00 -0.26 0.00 0.00 58.87 56.76 3cwy n SER 147 Cb 0.60 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3cwy n SER 147 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3cwy s TYR 148 N -0.79 2.76 0.00 7.33 6.14 -1.26 -4.12 117.35 127.42 3cwy s TYR 148 Ca 0.12 0.82 0.00 0.00 0.64 0.00 0.00 57.07 58.65 3cwy s TYR 148 Cb 0.07 -4.05 0.00 0.00 0.42 0.00 0.00 41.96 38.40 3cwy s TYR 148 CO 0.10 -3.49 0.00 -3.47 0.64 0.00 0.00 175.55 169.33 3cwy n ASP 149 N 2.09 0.00 0.32 4.32 2.03 -1.26 -5.04 116.55 119.01 3cwy n ASP 149 Ca 0.08 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.59 3cwy n ASP 149 Cb 0.38 0.00 1.07 0.00 -0.72 0.00 0.00 41.12 41.85 3cwy n ASP 149 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3cwy h PRO 150 N 0.00 0.00 -0.00 -0.67 0.13 -1.99 0.98 132.00 130.44 3cwy h PRO 150 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3cwy h PRO 150 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3cwy h PRO 150 CO 0.00 0.00 -0.21 0.09 -0.23 0.00 0.00 178.00 177.65 3cwy n ASN 151 N -3.15 0.50 -3.15 1.44 3.02 -1.26 -4.00 115.26 108.66 3cwy n ASN 151 Ca -0.02 -0.38 -0.19 0.00 -0.03 0.00 0.00 54.58 53.95 3cwy n ASN 151 Cb 0.17 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3cwy n ASN 151 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3cwy n ASP 152 N -1.12 0.37 -0.12 6.41 2.03 0.34 -4.94 116.55 119.53 3cwy n ASP 152 Ca 0.11 -2.97 0.06 0.00 0.52 0.00 0.00 54.79 52.51 3cwy n ASP 152 Cb 0.31 -0.42 0.39 0.00 -0.72 0.00 0.00 41.12 40.68 3cwy n ASP 152 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3cwy h LEU 153 N 3.31 0.58 -0.09 -2.67 3.38 -1.62 -2.99 115.31 115.19 3cwy h LEU 153 Ca 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3cwy h LEU 153 Cb 0.95 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3cwy h LEU 153 CO 0.46 0.39 0.05 0.25 0.09 0.00 0.00 178.44 179.68 3cwy h LEU 154 N 0.66 0.12 0.15 1.67 5.85 -1.92 0.13 115.31 121.97 3cwy h LEU 154 Ca 0.26 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3cwy h LEU 154 Cb 0.18 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3cwy h LEU 154 CO -0.07 0.19 -0.11 0.50 -0.34 0.00 0.00 178.44 178.60 3cwy h LYS 155 N 0.05 -0.25 0.12 1.25 3.64 -1.90 -1.07 116.57 118.41 3cwy h LYS 155 Ca 0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3cwy h LYS 155 Cb 0.10 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3cwy h LYS 155 CO -0.00 -0.17 -0.44 1.25 -2.27 0.00 0.00 179.45 177.81 3cwy h HIS 156 N -0.26 -1.25 -0.63 1.91 2.76 -1.42 0.20 115.15 116.46 3cwy h HIS 156 Ca -0.01 0.03 0.18 0.00 -2.20 0.00 0.00 60.37 58.38 3cwy h HIS 156 Cb 0.23 0.53 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 3cwy h HIS 156 CO -0.10 -0.54 0.46 0.82 -1.30 0.00 0.00 177.93 177.27 3cwy h ILE 157 N -0.68 0.68 -0.36 6.26 1.08 -0.97 0.12 117.51 123.64 3cwy h ILE 157 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3cwy h ILE 157 Cb 0.70 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 3cwy h ILE 157 CO -0.25 0.00 0.21 -1.28 -0.69 0.00 0.00 178.15 176.14 3cwy h SER 158 N 0.00 0.45 0.04 1.72 0.87 0.40 -1.91 113.55 115.12 3cwy h SER 158 Ca 0.30 -0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.61 3cwy h SER 158 Cb 1.21 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3cwy h SER 158 CO -0.00 0.39 -0.64 0.71 -0.53 0.00 0.00 176.83 176.76 3cwy h THR 159 N 0.47 1.33 -0.18 2.23 1.35 -0.19 -2.26 112.91 115.66 3cwy h THR 159 Ca 0.13 -1.92 0.05 0.00 -0.55 0.00 0.00 66.41 64.11 3cwy h THR 159 Cb 0.04 1.89 -0.05 0.00 -1.73 0.00 0.00 68.15 68.30 3cwy h THR 159 CO -0.02 0.60 -0.12 0.58 -0.25 0.00 0.00 175.52 176.30 3cwy h VAL 160 N 0.42 0.64 0.00 6.82 2.07 -1.22 -1.73 116.25 123.26 3cwy h VAL 160 Ca -0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 3cwy h VAL 160 Cb 1.21 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3cwy h VAL 160 CO 0.12 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 177.12 3cwy h GLU 161 N -0.12 0.00 -0.15 1.57 4.39 -1.31 -2.47 114.58 116.49 3cwy h GLU 161 Ca 0.11 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 3cwy h GLU 161 Cb 0.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3cwy h GLU 161 CO -0.25 0.26 -0.46 1.03 -1.16 0.00 0.00 179.01 178.43 3cwy h SER 162 N 0.00 0.39 0.06 1.42 0.87 -0.81 -2.66 113.55 112.82 3cwy h SER 162 Ca -0.00 -0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.20 3cwy h SER 162 Cb 0.52 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3cwy h SER 162 CO 0.03 0.79 -0.65 0.25 -0.53 0.00 0.00 176.83 176.73 3cwy h LEU 163 N 0.29 0.65 -0.84 2.23 5.85 -0.89 -1.54 115.31 121.06 3cwy h LEU 163 Ca 0.02 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 3cwy h LEU 163 Cb 0.92 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3cwy h LEU 163 CO 0.08 1.12 0.27 0.11 -0.34 0.00 0.00 178.44 179.68 3cwy h LYS 164 N 0.41 1.13 0.35 1.25 1.57 -1.40 0.47 116.57 120.34 3cwy h LYS 164 Ca -0.01 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3cwy h LYS 164 Cb 1.22 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 3cwy h LYS 164 CO 0.12 0.93 -0.40 -0.22 -0.57 0.00 0.00 179.45 179.32 3cwy h LYS 165 N 1.09 -0.76 -0.71 3.15 1.63 -1.35 -1.49 116.57 118.14 3cwy h LYS 165 Ca 0.25 0.05 0.16 0.00 -0.85 0.00 0.00 60.65 60.25 3cwy h LYS 165 Cb 0.25 0.17 -0.12 0.00 -0.60 0.00 0.00 32.23 31.94 3cwy h LYS 165 CO -0.01 -0.50 0.06 0.82 -3.45 0.00 0.00 179.45 176.36 3cwy h ILE 166 N -0.78 0.44 -0.04 2.00 5.03 -0.54 -2.88 117.51 120.74 3cwy h ILE 166 Ca -0.02 -0.05 0.01 0.00 -0.12 0.00 0.00 64.86 64.67 3cwy h ILE 166 Cb 0.72 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 34.76 3cwy h ILE 166 CO -0.09 0.03 -0.07 0.15 -0.68 0.00 0.00 178.15 177.49 3cwy h PHE 167 N 0.16 -0.21 0.00 1.37 3.57 0.11 0.62 116.94 122.56 3cwy h PHE 167 Ca 0.39 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.90 3cwy h PHE 167 Cb 0.67 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.50 3cwy h PHE 167 CO -0.35 -0.06 0.38 0.66 -2.23 0.00 0.00 178.31 176.70 3cwy n TYR 168 N -2.99 0.05 0.79 0.41 4.01 -0.93 -1.25 117.16 117.25 3cwy n TYR 168 Ca -0.01 0.03 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3cwy n TYR 168 Cb 0.04 -0.20 0.20 0.00 -0.31 0.00 0.00 39.34 39.07 3cwy n TYR 168 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3cwy n THR 169 N -1.32 0.15 -2.32 -0.72 -1.04 0.22 -4.94 114.28 104.31 3cwy n THR 169 Ca -0.00 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 3cwy n THR 169 Cb 0.38 0.09 -0.03 0.00 -1.82 0.00 0.00 70.33 68.95 3cwy n THR 169 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3cwy s ILE 170 N -3.09 3.83 0.02 12.58 1.01 -0.38 -5.01 121.20 130.17 3cwy s ILE 170 Ca 0.08 1.27 0.09 0.00 0.00 0.00 0.00 60.65 62.09 3cwy s ILE 170 Cb 0.16 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3cwy s ILE 170 CO 0.72 0.06 -0.25 0.42 0.00 0.00 0.00 174.94 175.88 3cwy s THR 171 N 1.58 2.04 -0.35 2.92 -4.23 -1.26 -5.11 115.64 111.22 3cwy s THR 171 Ca 0.61 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.74 3cwy s THR 171 Cb -0.31 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.81 3cwy s THR 171 CO 0.28 0.42 0.21 0.00 -0.54 0.00 0.00 174.62 174.99 3cwy s GLU 173 N 1.64 1.11 0.41 0.00 2.02 -1.26 -5.16 118.70 117.46 3cwy s GLU 173 Ca 0.04 -1.25 0.07 0.00 0.02 0.00 0.00 54.97 53.86 3cwy s GLU 173 Cb -0.18 -1.16 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 3cwy s GLU 173 CO 0.08 0.24 0.04 0.00 0.02 0.00 0.00 175.26 175.65 3cwy s ALA 174 N -1.78 3.25 -0.17 5.21 0.00 -1.26 -5.14 121.76 121.88 3cwy s ALA 174 Ca 0.09 -2.25 -0.12 0.00 0.00 0.00 0.00 51.96 49.68 3cwy s ALA 174 Cb -0.07 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 3cwy s ALA 174 CO 0.04 -0.12 0.23 0.08 0.00 0.00 0.00 175.76 175.99 3cwy s VAL 175 N -2.68 5.35 -2.99 0.00 1.01 -1.26 -5.33 120.40 114.50 3cwy s VAL 175 Ca 0.36 0.41 0.24 0.00 0.00 0.00 0.00 61.98 62.99 3cwy s VAL 175 Cb 0.08 -3.56 0.19 0.00 0.00 0.00 0.00 36.38 33.09 3cwy s VAL 175 CO 0.19 0.43 1.26 -1.22 0.00 0.00 0.00 175.10 175.75