#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swg s ARG 53 N 0.00 3.46 0.05 4.33 0.52 -1.26 -4.26 118.95 121.78 1swg s ARG 53 Ca 0.00 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 1swg s ARG 53 Cb 0.00 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.37 1swg s ARG 53 CO 0.00 0.66 -0.11 0.71 0.02 0.00 0.00 175.30 176.58 1swg s TYR 54 N -1.36 0.94 0.28 -0.53 1.51 0.86 -4.82 117.35 114.24 1swg s TYR 54 Ca 0.29 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 1swg s TYR 54 Cb -0.13 -0.55 -0.10 0.00 -0.11 0.00 0.00 41.96 41.08 1swg s TYR 54 CO 0.20 -0.01 1.19 0.08 -1.11 0.00 0.00 175.55 175.90 1swg s VAL 55 N -1.15 3.23 0.17 0.71 1.01 -1.26 0.71 120.40 123.81 1swg s VAL 55 Ca -0.04 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.23 1swg s VAL 55 Cb -0.09 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1swg s VAL 55 CO 0.01 0.27 -0.20 -1.48 0.00 0.00 0.00 175.10 173.70 1swg s LEU 56 N -1.37 2.42 -0.01 3.92 0.05 -0.34 -4.30 118.68 119.05 1swg s LEU 56 Ca 0.47 -0.85 -0.13 0.00 0.05 0.00 0.00 54.13 53.68 1swg s LEU 56 Cb -0.35 -0.95 0.02 0.00 -2.05 0.00 0.00 46.19 42.86 1swg s LEU 56 CO 0.44 0.03 0.27 0.28 -0.55 0.00 0.00 176.35 176.82 1swg s THR 57 N -1.83 0.06 0.00 5.48 -1.32 -0.87 -2.75 115.64 114.41 1swg s THR 57 Ca 0.16 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1swg s THR 57 Cb -0.07 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1swg s THR 57 CO 0.07 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 1swg n GLY 58 N 1.39 2.30 3.14 6.08 0.00 0.26 -1.19 105.19 117.18 1swg n GLY 58 Ca -0.21 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1swg n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swg s ARG 59 N -0.17 0.62 0.08 1.61 1.81 -0.65 -1.19 118.95 121.07 1swg s ARG 59 Ca 0.00 -0.71 -0.09 0.00 -1.72 0.00 0.00 55.73 53.20 1swg s ARG 59 Cb 0.00 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.75 1swg s ARG 59 CO 0.00 -0.16 0.20 1.52 -0.68 0.00 0.00 175.30 176.18 1swg s TYR 60 N -2.59 0.12 -0.50 -0.53 1.13 0.38 -1.39 117.35 113.96 1swg s TYR 60 Ca -0.05 -0.52 -0.28 0.00 -1.41 0.00 0.00 57.07 54.81 1swg s TYR 60 Cb -0.01 -0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1swg s TYR 60 CO -0.04 -0.54 1.37 0.34 -2.51 0.00 0.00 175.55 174.17 1swg s ASP 61 N -2.76 6.27 0.00 -0.18 2.15 -0.54 -4.51 116.67 117.10 1swg s ASP 61 Ca 0.04 0.47 0.31 0.00 0.43 0.00 0.00 52.55 53.80 1swg s ASP 61 Cb 0.04 -2.54 1.62 0.00 -0.30 0.00 0.00 42.92 41.74 1swg s ASP 61 CO -0.10 -1.55 2.07 -1.54 -0.17 0.00 0.00 175.17 173.88 1swg n SER 62 N 9.06 0.32 -3.17 -0.34 3.41 -1.26 -4.02 113.62 117.62 1swg n SER 62 Ca 0.13 -0.93 -0.21 0.00 -0.26 0.00 0.00 58.87 57.61 1swg n SER 62 Cb 0.49 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1swg n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swg n ALA 63 N -0.83 2.15 -1.09 7.33 0.00 -1.26 -5.04 120.51 121.77 1swg n ALA 63 Ca 0.21 -3.33 -0.30 0.00 0.00 0.00 0.00 53.44 50.01 1swg n ALA 63 Cb 0.19 -0.87 0.14 0.00 0.00 0.00 0.00 19.45 18.91 1swg n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swg s PRO 64 N -1.58 1.30 0.89 0.00 0.04 -1.26 -5.00 135.00 129.39 1swg s PRO 64 Ca 0.37 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 1swg s PRO 64 Cb 0.24 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 33.11 1swg s PRO 64 CO -0.10 -2.27 1.14 0.00 0.04 0.00 0.00 177.00 175.82 1swg s ALA 65 N -2.85 1.59 -0.45 8.56 0.00 -1.26 -4.93 121.76 122.41 1swg s ALA 65 Ca 0.64 0.57 0.10 0.00 0.00 0.00 0.00 51.96 53.27 1swg s ALA 65 Cb -0.19 -3.43 0.27 0.00 0.00 0.00 0.00 23.12 19.77 1swg s ALA 65 CO 0.57 -2.62 1.21 0.25 0.00 0.00 0.00 175.76 175.18 1swg n THR 66 N -4.09 1.35 0.66 0.00 -2.24 -1.26 -4.61 114.28 104.10 1swg n THR 66 Ca 0.12 -1.31 0.04 0.00 -2.27 0.00 0.00 64.05 60.62 1swg n THR 66 Cb 0.52 0.27 0.14 0.00 -2.10 0.00 0.00 70.33 69.16 1swg n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swg n ASP 67 N -0.16 2.22 0.00 3.42 5.75 -1.26 -4.84 116.55 121.67 1swg n ASP 67 Ca 0.11 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1swg n ASP 67 Cb 0.50 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1swg n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swg n GLY 68 N 0.61 0.66 3.77 6.12 0.00 -1.26 -5.07 105.19 110.02 1swg n GLY 68 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1swg n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 69 N -2.78 5.07 0.95 1.61 0.01 -1.26 -5.04 113.70 112.26 1swg s SER 69 Ca 0.00 1.99 -0.16 0.00 1.31 0.00 0.00 55.95 59.09 1swg s SER 69 Cb 0.00 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.87 1swg s SER 69 CO 0.00 -1.66 1.31 -0.83 0.41 0.00 0.00 173.24 172.47 1swg s GLY 70 N -2.64 1.76 -0.33 3.44 0.00 -1.26 -4.81 107.32 103.48 1swg s GLY 70 Ca 0.66 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1swg s GLY 70 CO 0.42 -0.41 0.21 -1.59 0.00 0.00 0.00 173.10 171.74 1swg s THR 71 N -3.86 5.11 0.29 0.90 2.01 0.11 -4.74 115.64 115.46 1swg s THR 71 Ca 0.73 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1swg s THR 71 Cb -0.04 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.77 1swg s THR 71 CO 0.53 0.04 1.33 0.00 -0.69 0.00 0.00 174.62 175.83 1swg s ALA 72 N 1.70 3.53 0.23 7.40 0.00 -1.26 -0.67 121.76 132.69 1swg s ALA 72 Ca 0.06 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1swg s ALA 72 Cb -0.17 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1swg s ALA 72 CO 0.09 -0.63 0.58 -0.48 0.00 0.00 0.00 175.76 175.32 1swg s LEU 73 N -1.16 0.01 0.01 0.00 2.34 0.12 -1.46 118.68 118.54 1swg s LEU 73 Ca 0.53 -0.62 -0.28 0.00 0.06 0.00 0.00 54.13 53.82 1swg s LEU 73 Cb -0.39 2.24 0.08 0.00 -0.56 0.00 0.00 46.19 47.56 1swg s LEU 73 CO 0.48 -1.17 0.72 -0.83 -1.06 0.00 0.00 176.35 174.50 1swg s GLY 74 N -2.92 -0.54 0.13 -3.48 0.00 -0.49 -0.79 107.32 99.24 1swg s GLY 74 Ca 0.13 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 1swg s GLY 74 CO 0.03 0.60 0.42 0.66 0.00 0.00 0.00 173.10 174.82 1swg s TRP 75 N -2.34 -0.21 -0.03 1.90 -2.14 -0.46 -1.63 118.94 114.03 1swg s TRP 75 Ca -0.03 -0.10 0.06 0.00 2.66 0.00 0.00 56.10 58.69 1swg s TRP 75 Cb -0.01 0.29 -0.01 0.00 -3.10 0.00 0.00 33.47 30.64 1swg s TRP 75 CO -0.02 -0.73 -0.21 0.99 -2.66 0.00 0.00 176.95 174.32 1swg s THR 76 N -3.81 1.72 -0.16 0.66 2.01 -0.33 -0.92 115.64 114.81 1swg s THR 76 Ca 0.03 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1swg s THR 76 Cb 0.01 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1swg s THR 76 CO -0.11 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.46 1swg s VAL 77 N -0.36 2.62 -0.19 3.82 1.01 -0.43 -2.05 120.40 124.83 1swg s VAL 77 Ca 0.04 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1swg s VAL 77 Cb -0.10 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1swg s VAL 77 CO 0.00 0.51 0.38 0.00 0.00 0.00 0.00 175.10 175.99 1swg s ALA 78 N 0.89 3.56 -0.87 5.51 0.00 -1.26 -0.01 121.76 129.57 1swg s ALA 78 Ca -0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 1swg s ALA 78 Cb -0.15 -2.59 -0.16 0.00 0.00 0.00 0.00 23.12 20.22 1swg s ALA 78 CO -0.01 -0.23 3.24 0.91 0.00 0.00 0.00 175.76 179.66 1swg n TRP 79 N 4.32 1.34 -4.34 0.00 7.02 0.26 -4.74 117.44 121.30 1swg n TRP 79 Ca -0.09 -2.36 -0.22 0.00 -1.02 0.00 0.00 57.50 53.81 1swg n TRP 79 Cb 0.51 -2.06 -0.16 0.00 -2.42 0.00 0.00 31.31 27.18 1swg n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swg s LYS 80 N 1.47 1.23 0.00 -0.99 2.20 -1.26 -1.07 119.74 121.32 1swg s LYS 80 Ca 0.68 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1swg s LYS 80 Cb 0.25 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.45 1swg s LYS 80 CO -0.04 -0.04 0.00 0.27 -0.36 0.00 0.00 175.35 175.18 1swg n ASN 81 N 3.98 0.44 0.22 1.43 0.23 0.37 -4.76 115.26 117.17 1swg n ASN 81 Ca -0.23 -0.54 0.05 0.00 -0.53 0.00 0.00 54.58 53.33 1swg n ASN 81 Cb 0.51 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.70 1swg n ASN 81 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1swg h ASN 82 N 0.00 0.00 0.00 0.53 -0.00 -2.01 -3.28 115.58 110.82 1swg h ASN 82 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1swg h ASN 82 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1swg h ASN 82 CO 0.00 0.20 -1.83 -1.22 -0.00 0.00 0.00 177.43 174.58 1swg n TYR 83 N -4.30 0.00 -3.69 0.67 4.02 -1.26 -5.03 117.16 107.57 1swg n TYR 83 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 1swg n TYR 83 Cb 0.26 -0.42 -0.06 0.00 -0.02 0.00 0.00 39.34 39.10 1swg n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1swg s ARG 84 N -3.23 0.96 -0.24 -0.72 0.52 -1.24 -5.10 118.95 109.89 1swg s ARG 84 Ca -0.07 -0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1swg s ARG 84 Cb 0.11 0.42 0.13 0.00 0.52 0.00 0.00 34.95 36.14 1swg s ARG 84 CO 0.75 -0.35 0.40 1.21 0.02 0.00 0.00 175.30 177.33 1swg s ASN 85 N -2.51 0.07 0.00 0.23 3.84 -1.26 -0.48 114.94 114.84 1swg s ASN 85 Ca 0.00 0.35 0.22 0.00 0.21 0.00 0.00 52.86 53.64 1swg s ASN 85 Cb 0.01 1.22 0.78 0.00 -0.55 0.00 0.00 41.25 42.71 1swg s ASN 85 CO -0.08 -0.29 1.57 0.00 -2.79 0.00 0.00 177.10 175.51 1swg n ALA 86 N 5.37 2.52 -3.67 1.71 0.00 -0.23 -4.95 120.51 121.26 1swg n ALA 86 Ca -0.04 -0.52 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 1swg n ALA 86 Cb 0.50 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.89 1swg n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swg n HIS 87 N 0.33 -2.01 -3.62 0.00 8.25 -1.26 -4.80 115.22 112.12 1swg n HIS 87 Ca 0.17 0.56 -0.06 0.00 -0.26 0.00 0.00 57.72 58.12 1swg n HIS 87 Cb 0.34 -3.33 -0.02 0.00 1.12 0.00 0.00 29.99 28.11 1swg n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swg s SER 88 N -3.32 -0.29 -0.08 0.41 1.04 -1.26 -0.55 113.70 109.64 1swg s SER 88 Ca 0.33 -0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.49 1swg s SER 88 Cb -0.13 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1swg s SER 88 CO 0.87 -0.79 0.22 0.00 0.98 0.00 0.00 173.24 174.52 1swg s ALA 89 N -3.27 -0.55 -0.06 5.32 0.00 -0.37 -0.57 121.76 122.27 1swg s ALA 89 Ca 0.08 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1swg s ALA 89 Cb -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1swg s ALA 89 CO -0.04 -0.11 -0.06 0.99 0.00 0.00 0.00 175.76 176.54 1swg s THR 90 N 0.21 3.80 -0.07 0.00 2.01 0.99 -1.41 115.64 121.17 1swg s THR 90 Ca -0.01 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.58 1swg s THR 90 Cb -0.02 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1swg s THR 90 CO -0.00 0.58 -0.24 0.42 -0.69 0.00 0.00 174.62 174.69 1swg s THR 91 N -0.84 2.11 -0.20 -0.82 -4.23 -0.19 -1.31 115.64 110.15 1swg s THR 91 Ca 0.13 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1swg s THR 91 Cb -0.11 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1swg s THR 91 CO 0.02 0.57 0.05 0.26 -0.54 0.00 0.00 174.62 174.98 1swg s TRP 92 N 0.01 3.15 -0.12 3.99 0.51 -0.10 -1.46 118.94 124.92 1swg s TRP 92 Ca -0.09 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 53.75 1swg s TRP 92 Cb -0.15 -2.12 -0.01 0.00 -0.81 0.00 0.00 33.47 30.38 1swg s TRP 92 CO 0.05 -0.07 -0.19 0.45 -0.51 0.00 0.00 176.95 176.69 1swg s SER 93 N 0.84 3.51 0.00 2.95 0.15 0.33 -1.36 113.70 120.12 1swg s SER 93 Ca 0.03 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1swg s SER 93 Cb -0.14 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1swg s SER 93 CO 0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1swg n GLY 94 N 3.58 1.56 3.05 9.45 0.00 0.03 -1.45 105.19 121.41 1swg n GLY 94 Ca -0.19 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1swg n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swg s GLN 95 N 1.43 0.33 -0.04 1.61 -2.07 -0.70 -0.71 119.66 119.51 1swg s GLN 95 Ca 0.00 -0.22 -0.23 0.00 -1.82 0.00 0.00 55.36 53.09 1swg s GLN 95 Cb 0.00 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1swg s GLN 95 CO 0.00 -0.07 0.68 -0.47 -1.32 0.00 0.00 175.29 174.11 1swg s TYR 96 N -0.86 3.62 -0.30 9.60 5.04 0.15 -1.33 117.35 133.28 1swg s TYR 96 Ca -0.09 1.25 0.03 0.00 -2.44 0.00 0.00 57.07 55.82 1swg s TYR 96 Cb -0.05 -2.75 0.08 0.00 0.35 0.00 0.00 41.96 39.58 1swg s TYR 96 CO 0.01 0.17 -0.02 0.08 -1.34 0.00 0.00 175.55 174.44 1swg s VAL 97 N 0.47 2.17 0.86 3.14 1.01 0.92 -0.71 120.40 128.27 1swg s VAL 97 Ca 0.36 -1.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 1swg s VAL 97 Cb -0.18 -2.45 0.11 0.00 0.00 0.00 0.00 36.38 33.86 1swg s VAL 97 CO 0.18 -0.33 1.19 -0.83 0.00 0.00 0.00 175.10 175.31 1swg s GLY 98 N 1.02 1.61 0.00 4.51 0.00 -1.26 -1.20 107.32 112.01 1swg s GLY 98 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1swg s GLY 98 CO -0.07 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.49 1swg n GLY 99 N -3.08 0.27 0.26 0.20 0.00 -1.26 -4.79 105.19 96.79 1swg n GLY 99 Ca 0.09 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1swg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg h ALA 100 N 0.00 0.93 -3.25 4.61 0.00 -2.07 -3.21 119.26 116.28 1swg h ALA 100 Ca 0.00 0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.37 1swg h ALA 100 Cb 0.00 0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.44 1swg h ALA 100 CO 0.00 -0.18 -0.64 -2.00 0.00 0.00 0.00 179.25 176.42 1swg s GLU 101 N -6.06 1.93 0.54 0.00 2.12 -1.26 -5.10 118.70 110.87 1swg s GLU 101 Ca -0.13 -2.64 -0.22 0.00 0.36 0.00 0.00 54.97 52.35 1swg s GLU 101 Cb 0.19 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 1swg s GLU 101 CO 0.76 -1.15 1.34 0.00 -0.54 0.00 0.00 175.26 175.66 1swg n ALA 102 N 2.98 1.50 -3.00 6.30 0.00 -1.22 -4.94 120.51 122.14 1swg n ALA 102 Ca 0.09 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 1swg n ALA 102 Cb 0.33 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.33 1swg n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swg s ARG 103 N -2.85 0.27 -0.22 0.00 1.81 -0.34 -4.22 118.95 113.40 1swg s ARG 103 Ca 0.71 -0.32 0.02 0.00 -1.72 0.00 0.00 55.73 54.42 1swg s ARG 103 Cb -0.42 0.11 0.04 0.00 -0.45 0.00 0.00 34.95 34.23 1swg s ARG 103 CO 0.49 -0.05 -0.14 0.42 -0.68 0.00 0.00 175.30 175.35 1swg s ILE 104 N -0.93 1.99 -0.24 1.52 1.01 -0.62 -0.06 121.20 123.87 1swg s ILE 104 Ca -0.10 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.20 1swg s ILE 104 Cb -0.06 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1swg s ILE 104 CO 0.00 0.20 0.13 0.20 0.00 0.00 0.00 174.94 175.47 1swg s ASN 105 N 1.24 5.81 0.11 3.58 0.01 -0.44 0.04 114.94 125.28 1swg s ASN 105 Ca -0.03 0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.16 1swg s ASN 105 Cb -0.17 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1swg s ASN 105 CO -0.08 0.04 -0.08 0.42 -1.51 0.00 0.00 177.10 175.89 1swg s THR 106 N 1.21 0.81 0.08 1.60 -4.23 0.16 -1.73 115.64 113.54 1swg s THR 106 Ca 0.06 -1.92 0.09 0.00 -1.18 0.00 0.00 61.69 58.75 1swg s THR 106 Cb -0.14 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.00 1swg s THR 106 CO 0.05 -0.81 -0.23 -1.10 -0.54 0.00 0.00 174.62 171.98 1swg s GLN 107 N -3.68 1.74 0.07 3.99 -0.21 -0.53 -2.05 119.66 118.99 1swg s GLN 107 Ca 0.12 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.35 1swg s GLN 107 Cb 0.04 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1swg s GLN 107 CO -0.03 0.50 -0.06 1.67 -2.12 0.00 0.00 175.29 175.25 1swg s TRP 108 N -0.96 0.69 -0.11 0.91 1.48 -0.04 -0.51 118.94 120.41 1swg s TRP 108 Ca 0.14 -0.82 0.01 0.00 -1.06 0.00 0.00 56.10 54.37 1swg s TRP 108 Cb -0.10 -0.43 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1swg s TRP 108 CO 0.05 -0.19 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.13 1swg s LEU 109 N -2.53 1.46 -0.32 -4.66 1.43 -0.54 -1.33 118.68 112.20 1swg s LEU 109 Ca 0.03 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1swg s LEU 109 Cb 0.01 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1swg s LEU 109 CO -0.04 -0.05 0.05 -0.22 0.23 0.00 0.00 176.35 176.32 1swg s LEU 110 N 1.30 4.15 -0.22 1.79 2.96 0.68 -1.02 118.68 128.31 1swg s LEU 110 Ca -0.02 -1.27 -0.08 0.00 -0.22 0.00 0.00 54.13 52.55 1swg s LEU 110 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1swg s LEU 110 CO -0.05 -0.30 0.08 -0.89 -1.32 0.00 0.00 176.35 173.87 1swg s THR 111 N 1.30 4.66 0.08 3.68 2.01 -0.50 -0.17 115.64 126.70 1swg s THR 111 Ca -0.03 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1swg s THR 111 Cb -0.20 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1swg s THR 111 CO 0.00 0.39 0.31 -0.44 -0.69 0.00 0.00 174.62 174.19 1swg s SER 112 N 0.99 6.47 0.13 3.53 0.01 -0.07 -1.23 113.70 123.54 1swg s SER 112 Ca 0.04 0.52 -0.31 0.00 1.31 0.00 0.00 55.95 57.52 1swg s SER 112 Cb -0.14 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 63.94 1swg s SER 112 CO 0.03 0.15 1.35 -0.83 0.41 0.00 0.00 173.24 174.35 1swg s GLY 113 N -2.18 2.14 0.17 3.44 0.00 0.29 -4.85 107.32 106.33 1swg s GLY 113 Ca 0.35 1.10 0.01 0.00 0.00 0.00 0.00 44.72 46.18 1swg s GLY 113 CO 0.22 2.24 0.02 -0.51 0.00 0.00 0.00 173.10 175.07 1swg s THR 114 N 0.82 0.58 0.78 0.90 -4.23 -1.26 -4.98 115.64 108.24 1swg s THR 114 Ca 0.62 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1swg s THR 114 Cb -0.36 -2.13 0.06 0.00 1.34 0.00 0.00 72.50 71.40 1swg s THR 114 CO 0.32 -0.45 1.09 0.42 -0.54 0.00 0.00 174.62 175.46 1swg s THR 115 N -3.73 3.28 0.38 3.99 -4.23 -1.26 -4.86 115.64 109.21 1swg s THR 115 Ca 0.25 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1swg s THR 115 Cb 0.06 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 71.03 1swg s THR 115 CO 0.04 -0.54 2.03 -0.33 -0.54 0.00 0.00 174.62 175.28 1swg h GLU 116 N -1.03 0.68 0.00 3.99 4.39 -2.01 -0.62 114.58 119.98 1swg h GLU 116 Ca -0.46 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1swg h GLU 116 Cb 1.25 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1swg h GLU 116 CO 0.58 0.45 -0.06 0.00 -1.16 0.00 0.00 179.01 178.82 1swg h ALA 117 N 1.67 1.58 -0.37 3.43 0.00 -2.06 -2.40 119.26 121.11 1swg h ALA 117 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1swg h ALA 117 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1swg h ALA 117 CO -0.05 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1swg n ASN 118 N -4.00 3.00 0.27 0.00 3.02 -0.30 -4.59 115.26 112.66 1swg n ASN 118 Ca -0.03 -1.94 0.12 0.00 -0.03 0.00 0.00 54.58 52.70 1swg n ASN 118 Cb 0.15 -0.25 0.75 0.00 -0.61 0.00 0.00 39.78 39.82 1swg n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swg h ALA 119 N 2.51 1.56 0.00 5.41 0.00 -0.86 -1.41 119.26 126.47 1swg h ALA 119 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1swg h ALA 119 Cb 0.76 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1swg h ALA 119 CO 0.00 0.08 -0.05 0.11 0.00 0.00 0.00 179.25 179.40 1swg h TRP 120 N 0.00 0.00 -0.16 0.00 5.08 -1.81 -2.43 115.95 116.63 1swg h TRP 120 Ca -0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 1swg h TRP 120 Cb 0.15 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.23 1swg h TRP 120 CO 0.00 0.05 -0.52 0.36 -1.28 0.00 0.00 178.44 177.05 1swg n LYS 121 N -3.47 1.96 0.21 0.12 2.85 -0.54 -4.67 118.16 114.63 1swg n LYS 121 Ca -0.02 -3.45 0.12 0.00 -1.05 0.00 0.00 58.31 53.91 1swg n LYS 121 Cb 0.16 -1.75 0.17 0.00 -0.65 0.00 0.00 35.03 32.97 1swg n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swg h SER 122 N 1.21 0.00 -3.13 -5.58 4.64 -1.39 -3.46 113.55 105.84 1swg h SER 122 Ca 0.08 -0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.80 1swg h SER 122 Cb 1.14 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.87 1swg h SER 122 CO 0.17 0.00 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.40 1swg s THR 123 N -3.21 1.57 0.18 2.95 2.01 -1.26 -0.89 115.64 116.99 1swg s THR 123 Ca 0.07 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 1swg s THR 123 Cb 0.05 -1.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.02 1swg s THR 123 CO 0.67 0.46 0.52 -0.76 -0.69 0.00 0.00 174.62 174.82 1swg s LEU 124 N 1.45 4.25 0.04 4.42 1.43 0.76 -4.89 118.68 126.13 1swg s LEU 124 Ca 0.04 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.16 1swg s LEU 124 Cb -0.13 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1swg s LEU 124 CO -0.10 0.02 -0.22 0.54 0.23 0.00 0.00 176.35 176.82 1swg s VAL 125 N -1.64 1.78 0.00 -1.59 0.11 -1.26 -0.23 120.40 117.57 1swg s VAL 125 Ca 0.42 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1swg s VAL 125 Cb -0.13 -1.54 0.00 0.00 -1.53 0.00 0.00 36.38 33.19 1swg s VAL 125 CO 0.20 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1swg n GLY 126 N 1.90 2.01 3.07 6.54 0.00 -0.44 -4.98 105.19 113.29 1swg n GLY 126 Ca -0.17 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1swg n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swg s HIS 127 N -6.42 -0.33 -0.00 1.61 -3.43 -1.26 -0.86 115.29 104.59 1swg s HIS 127 Ca 0.00 0.78 0.07 0.00 -0.80 0.00 0.00 55.06 55.12 1swg s HIS 127 Cb 0.00 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 1swg s HIS 127 CO 0.00 -0.22 -0.24 -0.51 -2.00 0.00 0.00 174.74 171.77 1swg s ASP 128 N 1.11 2.77 -0.14 7.38 1.01 -0.87 -4.98 116.67 122.95 1swg s ASP 128 Ca -0.08 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.74 1swg s ASP 128 Cb -0.09 -0.29 0.00 0.00 1.01 0.00 0.00 42.92 43.55 1swg s ASP 128 CO -0.07 0.27 -0.19 -0.89 0.21 0.00 0.00 175.17 174.49 1swg s THR 129 N -0.61 2.34 -0.07 -1.27 2.01 -1.26 -0.67 115.64 116.11 1swg s THR 129 Ca 0.09 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1swg s THR 129 Cb -0.09 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1swg s THR 129 CO -0.00 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.08 1swg s PHE 130 N 0.72 3.08 -0.01 4.92 0.40 0.11 -3.37 117.98 123.82 1swg s PHE 130 Ca -0.08 0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1swg s PHE 130 Cb -0.16 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1swg s PHE 130 CO 0.01 0.43 -0.16 0.99 0.70 0.00 0.00 175.22 177.18 1swg s THR 131 N -0.89 2.90 0.00 0.64 2.01 -0.28 -1.60 115.64 118.43 1swg s THR 131 Ca 0.14 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1swg s THR 131 Cb -0.11 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1swg s THR 131 CO 0.03 0.50 0.00 1.17 -0.69 0.00 0.00 174.62 175.62 1swg n LYS 132 N 2.03 3.39 0.02 4.92 4.81 -1.26 0.21 118.16 132.28 1swg n LYS 132 Ca -0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.16 1swg n LYS 132 Cb 0.52 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.50 1swg n LYS 132 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1swg h GLY 16 N 0.00 0.05 1.03 3.14 0.00 -2.03 -3.47 103.07 101.80 1swg h GLY 16 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1swg h GLY 16 CO 0.00 0.02 -0.31 -2.22 0.00 0.00 0.00 176.54 174.03 1swg h ILE 17 N 0.02 1.29 -2.56 2.60 2.04 -1.97 -3.44 117.51 115.49 1swg h ILE 17 Ca 0.01 -1.48 -0.55 0.00 1.00 0.00 0.00 64.86 63.84 1swg h ILE 17 Cb 0.03 1.48 0.06 0.00 -0.74 0.00 0.00 36.82 37.66 1swg h ILE 17 CO -0.00 0.48 0.91 0.41 0.00 0.00 0.00 178.15 179.95 1swg n THR 18 N -4.19 0.12 -2.97 -0.27 -1.04 -1.26 -4.81 114.28 99.86 1swg n THR 18 Ca -0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1swg n THR 18 Cb 0.50 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1swg n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swg n GLY 19 N 3.55 -0.18 3.32 3.41 0.00 -0.46 -5.00 105.19 109.82 1swg n GLY 19 Ca 0.16 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1swg n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swg s THR 20 N -2.97 2.80 0.23 2.61 2.01 -1.26 -0.45 115.64 118.60 1swg s THR 20 Ca 0.00 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.36 1swg s THR 20 Cb 0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1swg s THR 20 CO 0.00 0.52 -0.18 0.26 -0.69 0.00 0.00 174.62 174.53 1swg s TRP 21 N 0.51 2.04 0.03 4.92 0.52 0.13 -4.45 118.94 122.64 1swg s TRP 21 Ca -0.10 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.60 1swg s TRP 21 Cb -0.16 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1swg s TRP 21 CO 0.04 0.53 -0.06 1.52 0.02 0.00 0.00 176.95 179.01 1swg s TYR 22 N -2.50 0.48 0.21 -1.98 -0.85 0.13 -0.97 117.35 111.87 1swg s TYR 22 Ca 0.25 -0.46 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 1swg s TYR 22 Cb -0.04 -0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.02 1swg s TYR 22 CO 0.11 -0.11 0.19 0.27 -1.52 0.00 0.00 175.55 174.48 1swg n ASN 23 N 1.68 1.47 0.02 -0.18 0.23 -0.86 -1.12 115.26 116.50 1swg n ASN 23 Ca -0.22 -1.69 0.05 0.00 -0.53 0.00 0.00 54.58 52.19 1swg n ASN 23 Cb 0.55 -0.05 0.23 0.00 -2.08 0.00 0.00 39.78 38.43 1swg n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swg n GLN 24 N -1.10 0.02 0.00 -3.83 0.00 -1.22 -0.69 117.38 110.57 1swg n GLN 24 Ca 0.01 0.38 0.11 0.00 0.00 0.00 0.00 57.00 57.49 1swg n GLN 24 Cb 0.24 -1.56 -0.01 0.00 0.00 0.00 0.00 30.24 28.91 1swg n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swg n LEU 25 N -1.60 1.22 0.00 2.61 4.77 -1.26 -4.96 117.00 117.78 1swg n LEU 25 Ca 0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1swg n LEU 25 Cb 0.11 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1swg n LEU 25 CO 0.09 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1swg n GLY 26 N 1.47 0.66 3.75 -0.72 0.00 0.14 -4.66 105.19 105.82 1swg n GLY 26 Ca 0.06 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1swg n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swg s SER 27 N -2.22 4.71 -0.18 1.61 0.01 -1.26 -4.46 113.70 111.92 1swg s SER 27 Ca 0.00 2.18 -0.01 0.00 1.31 0.00 0.00 55.95 59.43 1swg s SER 27 Cb 0.00 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1swg s SER 27 CO 0.00 -1.91 -0.12 -0.89 0.41 0.00 0.00 173.24 170.74 1swg s THR 28 N -2.12 2.85 -0.25 1.44 2.01 0.61 -2.03 115.64 118.15 1swg s THR 28 Ca 0.71 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1swg s THR 28 Cb -0.25 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.05 1swg s THR 28 CO 0.42 0.49 -0.07 0.12 -0.69 0.00 0.00 174.62 174.89 1swg s PHE 29 N 1.12 3.10 -0.25 4.92 5.36 -0.15 -0.90 117.98 131.18 1swg s PHE 29 Ca 0.01 -1.73 -0.03 0.00 -0.96 0.00 0.00 56.93 54.21 1swg s PHE 29 Cb -0.14 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.52 1swg s PHE 29 CO -0.04 -0.77 -0.03 0.42 -1.46 0.00 0.00 175.22 173.34 1swg s ILE 30 N 1.28 3.19 0.03 3.12 1.01 -0.57 0.20 121.20 129.46 1swg s ILE 30 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.84 1swg s ILE 30 Cb -0.17 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1swg s ILE 30 CO -0.05 0.26 -0.04 0.54 0.00 0.00 0.00 174.94 175.64 1swg s VAL 31 N 1.40 0.24 -0.14 2.92 0.11 0.40 -1.57 120.40 123.77 1swg s VAL 31 Ca 0.02 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 1swg s VAL 31 Cb -0.16 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1swg s VAL 31 CO -0.03 -0.51 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.16 1swg s THR 32 N -1.66 1.72 -0.34 5.04 2.01 0.12 -1.36 115.64 121.17 1swg s THR 32 Ca -0.12 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 1swg s THR 32 Cb -0.08 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1swg s THR 32 CO -0.01 0.48 0.39 0.00 -0.69 0.00 0.00 174.62 174.79 1swg s ALA 33 N 1.12 3.50 0.53 7.40 0.00 -1.26 -2.24 121.76 130.81 1swg s ALA 33 Ca -0.02 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 1swg s ALA 33 Cb -0.14 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1swg s ALA 33 CO -0.06 -1.06 0.90 0.20 0.00 0.00 0.00 175.76 175.75 1swg s GLY 34 N 1.73 1.71 0.47 0.00 0.00 0.39 -4.87 107.32 106.75 1swg s GLY 34 Ca 0.13 -0.21 0.31 0.00 0.00 0.00 0.00 44.72 44.96 1swg s GLY 34 CO 0.12 0.02 1.93 0.00 0.00 0.00 0.00 173.10 175.16 1swg h ALA 35 N 0.27 1.00 -0.00 3.20 0.00 -1.98 -2.25 119.26 119.51 1swg h ALA 35 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1swg h ALA 35 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1swg h ALA 35 CO 0.62 0.00 -0.03 -0.40 0.00 0.00 0.00 179.25 179.45 1swg n ASP 36 N -2.83 0.06 0.00 0.00 5.68 -1.26 -4.86 116.55 113.33 1swg n ASP 36 Ca 0.01 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1swg n ASP 36 Cb 0.26 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1swg n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swg n GLY 37 N 1.36 0.62 3.77 6.12 0.00 -0.84 -4.94 105.19 111.27 1swg n GLY 37 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1swg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swg s ALA 38 N -2.00 3.29 -0.12 4.61 0.00 -1.25 -0.47 121.76 125.82 1swg s ALA 38 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1swg s ALA 38 Cb 0.00 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1swg s ALA 38 CO 0.00 0.21 -0.15 -0.51 0.00 0.00 0.00 175.76 175.30 1swg s LEU 39 N -1.63 2.58 -0.01 0.00 1.02 -0.34 -0.46 118.68 119.85 1swg s LEU 39 Ca 0.45 -0.38 -0.04 0.00 0.02 0.00 0.00 54.13 54.18 1swg s LEU 39 Cb -0.22 -1.57 -0.00 0.00 0.02 0.00 0.00 46.19 44.42 1swg s LEU 39 CO 0.27 0.17 0.08 0.42 0.02 0.00 0.00 176.35 177.30 1swg s THR 40 N 0.33 0.06 -3.63 5.49 -4.23 -0.95 -0.57 115.64 112.13 1swg s THR 40 Ca -0.12 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1swg s THR 40 Cb -0.16 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.40 1swg s THR 40 CO 0.06 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1swg n GLY 41 N 2.06 -0.53 3.05 3.99 0.00 -1.11 0.12 105.19 112.78 1swg n GLY 41 Ca -0.19 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1swg n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swg s THR 42 N -3.29 0.61 -0.05 2.61 -4.23 -0.61 -1.20 115.64 109.48 1swg s THR 42 Ca 0.00 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1swg s THR 42 Cb 0.00 -0.62 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 1swg s THR 42 CO 0.00 -0.22 -0.23 -0.47 -0.54 0.00 0.00 174.62 173.17 1swg s TYR 43 N -1.03 2.20 -0.15 3.99 6.14 0.22 -1.51 117.35 127.20 1swg s TYR 43 Ca -0.05 -0.62 -0.01 0.00 0.64 0.00 0.00 57.07 57.03 1swg s TYR 43 Cb -0.08 -1.44 0.04 0.00 0.42 0.00 0.00 41.96 40.90 1swg s TYR 43 CO 0.00 -0.18 -0.04 -2.00 0.64 0.00 0.00 175.55 173.98 1swg s GLU 44 N -0.16 1.23 -0.02 4.97 2.12 -0.08 -0.10 118.70 126.67 1swg s GLU 44 Ca -0.02 -0.40 -0.24 0.00 0.36 0.00 0.00 54.97 54.67 1swg s GLU 44 Cb -0.13 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 1swg s GLU 44 CO 0.03 -0.43 0.73 0.45 -0.54 0.00 0.00 175.26 175.50 1swg s SER 45 N 1.71 7.08 0.00 -1.70 0.15 -1.26 -0.28 113.70 119.40 1swg s SER 45 Ca 0.01 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1swg s SER 45 Cb -0.15 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1swg s SER 45 CO -0.07 -0.06 0.24 0.00 1.20 0.00 0.00 173.24 174.54