#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1m s PRO 42 N 0.00 3.64 0.50 -0.78 0.04 -1.26 -4.68 135.00 132.45 3d1m s PRO 42 Ca 0.00 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 3d1m s PRO 42 Cb 0.00 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 3d1m s PRO 42 CO 0.00 -0.63 0.91 -0.51 0.04 0.00 0.00 177.00 176.81 3d1m s LEU 43 N -3.33 3.60 0.40 -3.56 1.02 -0.63 -4.93 118.68 111.25 3d1m s LEU 43 Ca 0.67 1.33 0.08 0.00 0.02 0.00 0.00 54.13 56.22 3d1m s LEU 43 Cb -0.25 -4.28 -0.04 0.00 0.02 0.00 0.00 46.19 41.64 3d1m s LEU 43 CO 0.30 -0.59 0.22 0.00 0.02 0.00 0.00 176.35 176.30 3d1m s ALA 44 N -2.69 3.69 0.17 4.21 0.00 -1.26 -4.23 121.76 121.64 3d1m s ALA 44 Ca 0.54 -1.99 -0.34 0.00 0.00 0.00 0.00 51.96 50.18 3d1m s ALA 44 Cb -0.10 -0.63 -0.14 0.00 0.00 0.00 0.00 23.12 22.25 3d1m s ALA 44 CO 0.38 -0.14 1.55 0.98 0.00 0.00 0.00 175.76 178.54 3d1m n TYR 45 N -1.30 2.24 -0.41 0.00 9.36 -1.26 -1.56 117.16 124.22 3d1m n TYR 45 Ca -0.00 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.52 3d1m n TYR 45 Cb 0.63 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.81 3d1m n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3d1m n LYS 46 N 3.23 0.00 -2.86 2.98 4.76 -0.22 -5.03 118.16 121.02 3d1m n LYS 46 Ca 0.16 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.24 3d1m n LYS 46 Cb 0.29 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 3d1m n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3d1m s GLN 47 N -0.21 4.46 0.08 1.97 0.74 -0.60 -4.80 119.66 121.28 3d1m s GLN 47 Ca 0.00 1.19 0.03 0.00 0.05 0.00 0.00 55.36 56.63 3d1m s GLN 47 Cb 0.00 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 3d1m s GLN 47 CO 0.00 0.26 -0.09 -0.59 -0.55 0.00 0.00 175.29 174.33 3d1m s PHE 48 N -1.68 0.89 -0.04 1.67 -0.71 -1.26 -0.93 117.98 115.93 3d1m s PHE 48 Ca 0.50 -0.67 -0.01 0.00 -1.04 0.00 0.00 56.93 55.72 3d1m s PHE 48 Cb -0.17 -0.51 0.03 0.00 -1.21 0.00 0.00 43.02 41.16 3d1m s PHE 48 CO 0.22 -0.07 0.03 0.42 -1.34 0.00 0.00 175.22 174.48 3d1m s ILE 49 N -2.38 0.07 0.67 -4.49 -1.09 -0.09 -3.28 121.20 110.60 3d1m s ILE 49 Ca 0.02 0.23 -0.16 0.00 -2.23 0.00 0.00 60.65 58.51 3d1m s ILE 49 Cb -0.03 -0.24 0.01 0.00 -1.58 0.00 0.00 42.46 40.62 3d1m s ILE 49 CO -0.01 0.16 1.17 -2.16 -1.23 0.00 0.00 174.94 172.88 3d1m s PRO 50 N 1.56 2.58 -1.30 2.79 0.04 -1.26 -1.24 135.00 138.17 3d1m s PRO 50 Ca -0.02 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 3d1m s PRO 50 Cb -0.13 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 3d1m s PRO 50 CO -0.03 -1.47 2.43 -1.71 0.04 0.00 0.00 177.00 176.26 3d1m n ASN 51 N -2.31 5.77 -4.03 6.66 5.15 -1.21 -4.75 115.26 120.54 3d1m n ASN 51 Ca 0.12 -2.59 -0.10 0.00 -0.60 0.00 0.00 54.58 51.41 3d1m n ASN 51 Cb 0.51 -1.41 -0.08 0.00 -0.53 0.00 0.00 39.78 38.27 3d1m n ASN 51 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d1m s VAL 52 N 3.12 0.05 0.52 3.44 -7.23 -1.26 -5.11 120.40 113.93 3d1m s VAL 52 Ca 0.55 -1.57 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 3d1m s VAL 52 Cb 0.15 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.97 3d1m s VAL 52 CO -0.04 -0.21 1.24 0.00 -0.31 0.00 0.00 175.10 175.79 3d1m s ALA 53 N -4.02 2.82 0.27 1.32 0.00 -1.26 -4.91 121.76 115.98 3d1m s ALA 53 Ca 0.23 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.29 3d1m s ALA 53 Cb 0.04 -3.46 0.58 0.00 0.00 0.00 0.00 23.12 20.27 3d1m s ALA 53 CO 0.04 -1.03 1.76 1.49 0.00 0.00 0.00 175.76 178.03 3d1m h GLU 54 N 1.56 0.62 -0.12 0.00 4.81 -1.96 -2.46 114.58 117.03 3d1m h GLU 54 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3d1m h GLU 54 Cb 1.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3d1m h GLU 54 CO 0.58 0.41 0.00 1.63 -0.73 0.00 0.00 179.01 180.90 3d1m n LYS 55 N -4.86 1.63 -1.42 1.92 5.02 -1.26 -0.53 118.16 118.65 3d1m n LYS 55 Ca 0.18 -0.93 -0.32 0.00 -2.02 0.00 0.00 58.31 55.22 3d1m n LYS 55 Cb 0.47 -1.40 0.08 0.00 -0.02 0.00 0.00 35.03 34.16 3d1m n LYS 55 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3d1m s THR 56 N -1.84 3.13 0.31 -0.18 -4.23 -0.93 -3.14 115.64 108.77 3d1m s THR 56 Ca 0.33 0.44 -0.00 0.00 -1.18 0.00 0.00 61.69 61.27 3d1m s THR 56 Cb 0.17 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 71.33 3d1m s THR 56 CO 0.27 -0.41 1.94 -0.07 -0.54 0.00 0.00 174.62 175.80 3d1m h LEU 57 N -0.68 0.82 -0.38 4.79 3.38 -1.89 -0.17 115.31 121.18 3d1m h LEU 57 Ca -0.45 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3d1m h LEU 57 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3d1m h LEU 57 CO 0.52 0.66 0.00 0.61 0.09 0.00 0.00 178.44 180.31 3d1m n GLY 58 N -1.25 -1.35 0.00 0.83 0.00 -1.26 -4.49 105.19 97.67 3d1m n GLY 58 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3d1m n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1m n ALA 59 N -1.71 0.00 1.07 4.61 0.00 -0.82 -4.93 120.51 118.72 3d1m n ALA 59 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3d1m n ALA 59 Cb 0.27 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.90 3d1m n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d1m n SER 60 N 0.00 0.94 -0.42 0.00 7.64 0.31 -4.66 113.62 117.43 3d1m n SER 60 Ca 0.00 -0.74 0.05 0.00 1.01 0.00 0.00 58.87 59.19 3d1m n SER 60 Cb 0.00 0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 3d1m n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d1m n GLY 61 N 1.45 -2.11 3.78 0.23 0.00 -0.14 -3.78 105.19 104.61 3d1m n GLY 61 Ca 0.07 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 3d1m n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d1m s ARG 62 N -1.21 2.83 0.41 1.61 3.00 -1.19 -4.30 118.95 120.10 3d1m s ARG 62 Ca 0.00 1.31 -0.26 0.00 0.00 0.00 0.00 55.73 56.78 3d1m s ARG 62 Cb 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 34.95 32.90 3d1m s ARG 62 CO 0.00 -1.21 1.26 -0.47 0.00 0.00 0.00 175.30 174.88 3d1m s TYR 63 N -2.46 2.89 -0.38 -0.53 5.04 -1.26 -4.90 117.35 115.74 3d1m s TYR 63 Ca 0.65 1.46 0.06 0.00 -2.44 0.00 0.00 57.07 56.80 3d1m s TYR 63 Cb -0.19 -3.58 -0.03 0.00 0.35 0.00 0.00 41.96 38.51 3d1m s TYR 63 CO 0.43 -1.85 0.35 0.39 -1.34 0.00 0.00 175.55 173.52 3d1m n GLU 64 N 0.09 3.89 0.00 4.97 1.02 -1.26 -5.10 120.64 124.25 3d1m n GLU 64 Ca 0.04 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3d1m n GLU 64 Cb 0.45 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3d1m n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d1m n GLY 65 N 0.94 3.53 3.68 0.62 0.00 -1.26 -5.07 105.19 107.63 3d1m n GLY 65 Ca 0.02 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 3d1m n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d1m n LYS 66 N -0.41 2.16 -3.59 1.61 4.81 -1.26 -4.71 118.16 116.76 3d1m n LYS 66 Ca 0.00 0.77 -0.39 0.00 -0.87 0.00 0.00 58.31 57.81 3d1m n LYS 66 Cb 0.00 -2.46 -0.11 0.00 0.02 0.00 0.00 35.03 32.48 3d1m n LYS 66 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3d1m s ILE 67 N 0.03 4.93 0.32 3.15 1.01 0.12 -5.01 121.20 125.74 3d1m s ILE 67 Ca 0.68 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 61.03 3d1m s ILE 67 Cb -0.62 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3d1m s ILE 67 CO 0.48 0.02 0.48 0.42 0.00 0.00 0.00 174.94 176.35 3d1m s THR 68 N 1.66 4.92 0.29 2.92 -4.23 -1.26 -4.84 115.64 115.11 3d1m s THR 68 Ca 0.05 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 3d1m s THR 68 Cb -0.17 -3.77 0.29 0.00 1.34 0.00 0.00 72.50 70.19 3d1m s THR 68 CO 0.08 -0.40 1.80 -0.09 -0.54 0.00 0.00 174.62 175.47 3d1m h ARG 69 N 0.89 0.82 -0.07 3.99 2.43 -1.98 -2.21 114.38 118.25 3d1m h ARG 69 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3d1m h ARG 69 Cb 1.23 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3d1m h ARG 69 CO 0.60 0.54 0.00 0.09 -1.51 0.00 0.00 179.97 179.69 3d1m n ASN 70 N -4.72 0.83 -4.91 -3.80 4.13 -1.26 -4.88 115.26 100.65 3d1m n ASN 70 Ca 0.21 -1.53 -0.27 0.00 1.68 0.00 0.00 54.58 54.67 3d1m n ASN 70 Cb 0.49 -0.05 -0.00 0.00 -1.54 0.00 0.00 39.78 38.68 3d1m n ASN 70 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3d1m s SER 71 N -1.62 6.27 0.29 6.41 1.04 -0.83 -5.00 113.70 120.25 3d1m s SER 71 Ca 0.32 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.67 3d1m s SER 71 Cb 0.16 -2.24 0.44 0.00 0.10 0.00 0.00 66.02 64.48 3d1m s SER 71 CO 0.25 -0.57 1.82 -0.33 0.98 0.00 0.00 173.24 175.39 3d1m h GLU 72 N 0.26 0.72 0.00 4.02 4.39 -1.92 -2.98 114.58 119.06 3d1m h GLU 72 Ca -0.47 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.06 3d1m h GLU 72 Cb 1.20 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3d1m h GLU 72 CO 0.62 0.70 -0.04 0.00 -1.16 0.00 0.00 179.01 179.12 3d1m h ARG 73 N 0.68 0.00 0.00 2.33 3.08 -1.95 -2.58 114.38 115.95 3d1m h ARG 73 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3d1m h ARG 73 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3d1m h ARG 73 CO 0.01 0.04 -0.06 0.35 -1.07 0.00 0.00 179.97 179.24 3d1m h PHE 74 N 0.00 0.00 0.00 3.04 3.57 -1.74 -1.73 116.94 120.07 3d1m h PHE 74 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3d1m h PHE 74 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3d1m h PHE 74 CO 0.00 0.06 0.00 0.87 -2.23 0.00 0.00 178.31 177.01 3d1m h LYS 75 N 0.00 0.00 0.00 1.11 1.57 -1.61 -1.91 116.57 115.73 3d1m h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d1m h LYS 75 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3d1m h LYS 75 CO 0.01 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.82 3d1m h GLU 76 N 0.00 0.00 -5.57 3.15 3.07 -1.48 -3.43 114.58 110.31 3d1m h GLU 76 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 3d1m h GLU 76 Cb 0.42 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.24 3d1m h GLU 76 CO 0.00 0.00 -0.30 -0.51 -1.40 0.00 0.00 179.01 176.80 3d1m s LEU 77 N -4.76 4.27 0.05 1.33 1.43 -0.72 -4.63 118.68 115.66 3d1m s LEU 77 Ca 0.05 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3d1m s LEU 77 Cb 0.10 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3d1m s LEU 77 CO 0.45 0.12 -0.10 0.42 0.23 0.00 0.00 176.35 177.48 3d1m s THR 78 N 0.28 0.75 0.24 5.49 -4.23 -1.22 -4.89 115.64 112.05 3d1m s THR 78 Ca 0.18 -1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.29 3d1m s THR 78 Cb -0.13 -0.77 -0.09 0.00 1.34 0.00 0.00 72.50 72.85 3d1m s THR 78 CO 0.05 -0.28 1.27 -2.16 -0.54 0.00 0.00 174.62 172.96 3d1m s PRO 79 N -1.53 4.42 -0.38 3.99 0.04 -1.26 -3.56 135.00 136.73 3d1m s PRO 79 Ca -0.06 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 3d1m s PRO 79 Cb -0.09 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.30 3d1m s PRO 79 CO 0.01 -0.15 0.88 1.21 0.04 0.00 0.00 177.00 178.98 3d1m s ASN 80 N -0.07 6.61 -0.25 6.66 3.84 0.60 -4.92 114.94 127.41 3d1m s ASN 80 Ca 0.53 0.45 0.13 0.00 0.21 0.00 0.00 52.86 54.17 3d1m s ASN 80 Cb -0.36 -2.44 0.60 0.00 -0.55 0.00 0.00 41.25 38.50 3d1m s ASN 80 CO 0.42 -0.84 1.56 -1.22 -2.79 0.00 0.00 177.10 174.23 3d1m n TYR 81 N 6.69 1.46 -1.67 0.43 4.01 -1.26 -4.82 117.16 122.00 3d1m n TYR 81 Ca 0.06 -1.12 -0.46 0.00 -0.16 0.00 0.00 57.90 56.21 3d1m n TYR 81 Cb 0.48 -0.47 -0.04 0.00 -0.31 0.00 0.00 39.34 39.00 3d1m n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3d1m n ASN 82 N -0.51 3.74 0.00 7.72 2.85 -1.26 -4.86 115.26 122.94 3d1m n ASN 82 Ca 0.30 0.91 0.08 0.00 -0.11 0.00 0.00 54.58 55.76 3d1m n ASN 82 Cb 1.08 -1.44 0.38 0.00 1.24 0.00 0.00 39.78 41.04 3d1m n ASN 82 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3d1m n PRO 83 N 7.14 0.09 -0.47 1.20 -0.04 -1.26 -2.32 135.00 139.34 3d1m n PRO 83 Ca 0.22 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.96 3d1m n PRO 83 Cb 0.35 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.62 3d1m n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d1m n ASP 84 N -1.42 4.02 -4.18 3.54 8.00 -1.26 -4.83 116.55 120.41 3d1m n ASP 84 Ca 0.05 -2.25 -0.30 0.00 0.71 0.00 0.00 54.79 53.01 3d1m n ASP 84 Cb 0.17 -0.51 -0.17 0.00 -0.02 0.00 0.00 41.12 40.60 3d1m n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d1m s ILE 85 N -1.55 1.80 -0.19 0.53 1.01 -0.98 -4.03 121.20 117.78 3d1m s ILE 85 Ca 0.45 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 60.03 3d1m s ILE 85 Cb 0.27 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 3d1m s ILE 85 CO 0.25 0.50 0.52 -0.63 0.00 0.00 0.00 174.94 175.58 3d1m s ILE 86 N 0.25 5.11 -0.25 2.92 1.01 -0.23 -4.91 121.20 125.09 3d1m s ILE 86 Ca -0.13 0.97 -0.07 0.00 0.00 0.00 0.00 60.65 61.42 3d1m s ILE 86 Cb -0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3d1m s ILE 86 CO 0.06 0.19 0.06 -0.36 0.00 0.00 0.00 174.94 174.89 3d1m s PHE 87 N 1.53 3.08 0.14 3.97 0.08 -1.26 0.56 117.98 126.08 3d1m s PHE 87 Ca 0.25 -0.56 -0.20 0.00 0.12 0.00 0.00 56.93 56.54 3d1m s PHE 87 Cb -0.15 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 3d1m s PHE 87 CO 0.10 -0.41 1.68 -0.22 -0.10 0.00 0.00 175.22 176.27 3d1m h LYS 88 N 8.23 -0.06 -6.48 0.44 3.64 -1.06 -3.46 116.57 117.82 3d1m h LYS 88 Ca -0.38 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.51 3d1m h LYS 88 Cb 1.17 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 3d1m h LYS 88 CO 0.59 -0.04 -0.84 -3.47 -2.27 0.00 0.00 179.45 173.41 3d1m n ASP 89 N -5.26 -1.95 0.33 4.20 2.03 -1.26 -4.83 116.55 109.80 3d1m n ASP 89 Ca -0.01 -0.95 0.21 0.00 0.52 0.00 0.00 54.79 54.56 3d1m n ASP 89 Cb 0.18 -3.25 1.12 0.00 -0.72 0.00 0.00 41.12 38.46 3d1m n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3d1m h GLU 90 N -1.80 0.00 0.00 -0.67 9.09 -1.89 -1.78 114.58 117.53 3d1m h GLU 90 Ca -0.61 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.79 3d1m h GLU 90 Cb 1.38 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.47 3d1m h GLU 90 CO 0.67 0.00 -0.06 0.93 0.05 0.00 0.00 179.01 180.60 3d1m h GLU 91 N 0.00 0.00 -6.36 1.06 3.07 -1.97 -3.47 114.58 106.91 3d1m h GLU 91 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 3d1m h GLU 91 Cb 0.04 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 3d1m h GLU 91 CO -0.00 0.06 -0.80 0.09 -1.40 0.00 0.00 179.01 176.95 3d1m n ASN 92 N -3.16 -3.15 0.00 1.42 3.02 -0.67 -4.85 115.26 107.87 3d1m n ASN 92 Ca 0.01 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 3d1m n ASN 92 Cb 0.37 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 3d1m n ASN 92 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d1m n THR 93 N -4.51 0.00 -1.00 3.41 -2.24 -1.26 -5.02 114.28 103.66 3d1m n THR 93 Ca -0.07 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3d1m n THR 93 Cb 0.57 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3d1m n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d1m n GLY 94 N 0.84 0.64 0.36 3.38 0.00 -1.26 -4.94 105.19 104.21 3d1m n GLY 94 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3d1m n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1m h ALA 95 N 0.00 1.54 0.00 4.61 0.00 -1.95 -2.14 119.26 121.31 3d1m h ALA 95 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3d1m h ALA 95 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3d1m h ALA 95 CO 0.00 0.13 -0.06 -0.44 0.00 0.00 0.00 179.25 178.87 3d1m h ASP 96 N 0.90 0.00 1.15 0.00 3.32 -1.93 -0.82 116.42 119.05 3d1m h ASP 96 Ca 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.54 3d1m h ASP 96 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3d1m h ASP 96 CO -0.30 0.06 -0.13 0.03 -1.72 0.00 0.00 179.24 177.17 3d1m h ARG 97 N 0.00 0.00 -6.37 3.56 3.08 -1.70 -3.32 114.38 109.64 3d1m h ARG 97 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3d1m h ARG 97 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3d1m h ARG 97 CO 0.01 0.13 0.33 -0.51 -1.07 0.00 0.00 179.97 178.86 3d1m s LEU 98 N -6.47 4.38 0.01 3.04 1.43 -0.31 -0.29 118.68 120.46 3d1m s LEU 98 Ca 0.02 1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 3d1m s LEU 98 Cb 0.09 -3.50 0.10 0.00 0.03 0.00 0.00 46.19 42.91 3d1m s LEU 98 CO 0.62 -0.22 1.02 0.00 0.23 0.00 0.00 176.35 178.00 3d1m s MET 99 N 0.87 0.79 0.87 1.70 0.23 -1.23 -2.15 119.30 120.38 3d1m s MET 99 Ca 0.49 -0.37 -0.12 0.00 -1.03 0.00 0.00 55.69 54.67 3d1m s MET 99 Cb -0.21 0.31 0.11 0.00 -1.53 0.00 0.00 34.83 33.52 3d1m s MET 99 CO 0.27 -0.35 1.10 0.95 -2.03 0.00 0.00 175.02 174.95 3d1m s THR 100 N -2.96 2.72 0.23 3.16 -4.23 -0.11 -3.46 115.64 110.99 3d1m s THR 100 Ca 0.09 0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.77 3d1m s THR 100 Cb -0.00 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 71.21 3d1m s THR 100 CO -0.04 -0.31 1.85 -0.61 -0.54 0.00 0.00 174.62 174.97 3d1m h GLN 101 N -1.41 0.89 -0.38 3.99 5.75 -1.92 -0.04 115.11 121.99 3d1m h GLN 101 Ca -0.49 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 57.88 3d1m h GLN 101 Cb 1.28 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 3d1m h GLN 101 CO 0.57 0.59 -0.07 -0.09 -2.65 0.00 0.00 178.83 177.18 3d1m h ARG 102 N 0.92 0.71 -0.38 1.69 2.43 -1.92 -0.99 114.38 116.84 3d1m h ARG 102 Ca 0.34 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3d1m h ARG 102 Cb 0.13 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3d1m h ARG 102 CO -0.16 0.85 0.18 0.00 -1.51 0.00 0.00 179.97 179.34 3d1m h LYS 104 N 0.38 0.14 -0.31 0.00 1.57 -0.70 -0.44 116.57 117.20 3d1m h LYS 104 Ca 0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3d1m h LYS 104 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3d1m h LYS 104 CO -0.12 0.09 0.20 -0.44 -0.57 0.00 0.00 179.45 178.61 3d1m h ASP 105 N 0.14 0.37 0.16 0.86 3.32 -0.61 0.13 116.42 120.79 3d1m h ASP 105 Ca 0.29 -0.04 -0.25 0.00 0.02 0.00 0.00 57.03 57.06 3d1m h ASP 105 Cb 0.46 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.93 3d1m h ASP 105 CO -0.46 0.30 -1.01 0.11 -1.72 0.00 0.00 179.24 176.46 3d1m h LYS 106 N 0.41 0.57 -0.56 3.56 1.79 -1.26 -2.69 116.57 118.40 3d1m h LYS 106 Ca 0.11 -0.62 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 3d1m h LYS 106 Cb -0.01 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 3d1m h LYS 106 CO -0.02 1.23 0.29 1.25 -1.08 0.00 0.00 179.45 181.12 3d1m h LEU 107 N 0.32 0.71 -0.95 2.94 5.85 -0.80 -1.26 115.31 122.12 3d1m h LEU 107 Ca -0.11 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3d1m h LEU 107 Cb 1.65 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 3d1m h LEU 107 CO 0.19 0.61 0.29 0.78 -0.34 0.00 0.00 178.44 179.97 3d1m h ASN 108 N 0.75 0.97 -0.46 1.25 2.35 -0.72 -0.11 115.58 119.62 3d1m h ASN 108 Ca 0.20 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3d1m h ASN 108 Cb 0.07 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3d1m h ASN 108 CO -0.03 0.86 0.14 0.00 -1.65 0.00 0.00 177.43 176.75 3d1m h ALA 109 N 1.28 0.60 -0.91 -0.83 0.00 -1.27 -2.85 119.26 115.28 3d1m h ALA 109 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3d1m h ALA 109 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3d1m h ALA 109 CO -0.02 0.26 0.54 1.25 0.00 0.00 0.00 179.25 181.28 3d1m h LEU 110 N 0.61 1.10 -0.97 0.00 5.85 -0.73 -2.31 115.31 118.86 3d1m h LEU 110 Ca 0.15 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3d1m h LEU 110 Cb 0.28 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 3d1m h LEU 110 CO -0.00 0.85 0.60 0.00 -0.34 0.00 0.00 178.44 179.55 3d1m h ALA 111 N 1.34 1.43 -0.14 1.25 0.00 -0.80 0.35 119.26 122.70 3d1m h ALA 111 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3d1m h ALA 111 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3d1m h ALA 111 CO -0.06 0.24 0.02 0.82 0.00 0.00 0.00 179.25 180.27 3d1m h ILE 112 N 0.99 1.21 -0.15 0.00 2.04 -1.30 -2.90 117.51 117.41 3d1m h ILE 112 Ca 0.47 -0.68 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 3d1m h ILE 112 Cb 0.42 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3d1m h ILE 112 CO -0.25 0.20 -0.46 0.77 0.00 0.00 0.00 178.15 178.41 3d1m h SER 113 N 0.01 0.39 -0.09 1.72 4.64 -0.88 -1.55 113.55 117.78 3d1m h SER 113 Ca 0.04 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3d1m h SER 113 Cb 0.29 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3d1m h SER 113 CO 0.00 0.80 -0.01 0.58 -0.87 0.00 0.00 176.83 177.33 3d1m h VAL 114 N 0.30 0.93 -0.15 0.95 2.07 -0.97 -0.33 116.25 119.04 3d1m h VAL 114 Ca 0.02 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 3d1m h VAL 114 Cb 0.93 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3d1m h VAL 114 CO 0.08 0.00 -0.20 0.24 0.02 0.00 0.00 177.57 177.71 3d1m h MET 115 N 0.02 0.26 -0.36 1.57 2.86 -1.28 -1.92 114.93 116.08 3d1m h MET 115 Ca 0.04 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3d1m h MET 115 Cb 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3d1m h MET 115 CO -0.08 0.45 -0.28 -0.91 1.06 0.00 0.00 176.91 177.15 3d1m h ASN 116 N 0.24 0.78 -0.22 1.22 2.35 -1.01 -3.28 115.58 115.67 3d1m h ASN 116 Ca 0.04 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.36 3d1m h ASN 116 Cb 0.49 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3d1m h ASN 116 CO 0.03 1.02 -0.36 -0.61 -1.65 0.00 0.00 177.43 175.86 3d1m h GLN 117 N 0.65 0.63 -2.96 0.81 5.75 -0.33 -3.41 115.11 116.26 3d1m h GLN 117 Ca 0.08 -0.39 -0.57 0.00 -0.15 0.00 0.00 58.65 57.62 3d1m h GLN 117 Cb 0.80 0.04 -0.40 0.00 1.07 0.00 0.00 27.48 28.99 3d1m h GLN 117 CO 0.07 1.00 -0.79 -1.58 -2.65 0.00 0.00 178.83 174.88 3d1m s TRP 118 N -4.13 1.03 0.33 3.99 0.51 -0.81 -5.11 118.94 114.75 3d1m s TRP 118 Ca -0.12 -1.54 -0.29 0.00 -2.12 0.00 0.00 56.10 52.02 3d1m s TRP 118 Cb 0.08 -1.26 -0.11 0.00 -0.81 0.00 0.00 33.47 31.37 3d1m s TRP 118 CO 0.83 -0.84 1.52 -2.14 -0.51 0.00 0.00 176.95 175.81 3d1m s PRO 119 N 1.42 4.14 0.00 4.98 0.02 -1.24 -1.35 135.00 142.98 3d1m s PRO 119 Ca 0.13 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3d1m s PRO 119 Cb -0.20 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3d1m s PRO 119 CO -0.18 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 3d1m n GLY 120 N 1.37 0.99 3.71 0.52 0.00 -1.26 -5.04 105.19 105.48 3d1m n GLY 120 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3d1m n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d1m s VAL 121 N -2.41 4.41 0.29 1.61 1.01 -0.46 -5.02 120.40 119.83 3d1m s VAL 121 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3d1m s VAL 121 Cb 0.00 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 3d1m s VAL 121 CO 0.00 0.53 -0.09 -0.54 0.00 0.00 0.00 175.10 175.00 3d1m s LYS 122 N -1.12 1.62 0.21 2.72 1.02 -1.26 -3.99 119.74 118.94 3d1m s LYS 122 Ca 0.16 -1.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.04 3d1m s LYS 122 Cb -0.11 -1.37 -0.08 0.00 -0.52 0.00 0.00 37.83 35.74 3d1m s LYS 122 CO 0.05 0.11 1.12 -1.17 -0.92 0.00 0.00 175.35 174.54 3d1m s LEU 123 N -3.48 4.50 -0.06 3.17 2.96 -1.26 0.18 118.68 124.70 3d1m s LEU 123 Ca 0.30 2.18 0.04 0.00 -0.22 0.00 0.00 54.13 56.43 3d1m s LEU 123 Cb 0.02 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 3d1m s LEU 123 CO 0.13 -0.22 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.16 3d1m s ARG 124 N -0.73 2.02 -0.23 1.98 3.52 0.05 -1.07 118.95 124.49 3d1m s ARG 124 Ca 0.48 -0.64 -0.08 0.00 -0.13 0.00 0.00 55.73 55.36 3d1m s ARG 124 Cb -0.31 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.36 3d1m s ARG 124 CO 0.37 0.21 0.08 0.08 -0.81 0.00 0.00 175.30 175.23 3d1m s VAL 125 N 0.17 4.51 -0.13 7.11 1.01 0.19 -0.79 120.40 132.47 3d1m s VAL 125 Ca -0.08 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3d1m s VAL 125 Cb -0.13 -3.09 -0.23 0.00 0.00 0.00 0.00 36.38 32.92 3d1m s VAL 125 CO 0.04 0.36 0.32 0.35 0.00 0.00 0.00 175.10 176.17 3d1m n THR 126 N 4.59 1.61 -3.79 3.92 -2.24 0.28 -0.47 114.28 118.17 3d1m n THR 126 Ca -0.16 -0.73 -0.16 0.00 -2.27 0.00 0.00 64.05 60.73 3d1m n THR 126 Cb 0.52 -1.21 -0.16 0.00 -2.10 0.00 0.00 70.33 67.37 3d1m n THR 126 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d1m s GLU 127 N -2.55 0.02 0.00 -0.78 0.41 -1.20 -4.63 118.70 109.97 3d1m s GLU 127 Ca -0.16 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 3d1m s GLU 127 Cb 0.07 -0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.11 3d1m s GLU 127 CO 0.77 -0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.78 3d1m n GLY 128 N 4.26 1.06 3.76 -1.39 0.00 -1.25 -0.92 105.19 110.71 3d1m n GLY 128 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3d1m n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3d1m s TRP 129 N 2.93 3.19 -0.02 1.61 -0.00 -0.91 -4.71 118.94 121.03 3d1m s TRP 129 Ca 0.00 1.46 0.06 0.00 -0.00 0.00 0.00 56.10 57.62 3d1m s TRP 129 Cb 0.00 -3.58 -0.01 0.00 -0.00 0.00 0.00 33.47 29.87 3d1m s TRP 129 CO 0.00 -1.57 -0.21 0.34 -0.00 0.00 0.00 176.95 175.52 3d1m s ASP 130 N -0.50 2.47 0.00 5.86 2.15 -0.65 -4.24 116.67 121.76 3d1m s ASP 130 Ca 0.49 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.08 3d1m s ASP 130 Cb -0.38 -0.33 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 3d1m s ASP 130 CO 0.49 0.25 0.58 -1.84 -0.17 0.00 0.00 175.17 174.48 3d1m n GLU 131 N 2.63 0.11 0.01 4.34 0.28 -1.26 -4.56 120.64 122.18 3d1m n GLU 131 Ca -0.16 -0.70 -0.16 0.00 -0.16 0.00 0.00 57.16 55.98 3d1m n GLU 131 Cb 0.53 -0.94 -0.05 0.00 1.43 0.00 0.00 31.44 32.40 3d1m n GLU 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3d1m h ASP 132 N 0.00 0.81 0.00 -1.84 3.32 -2.01 -3.48 116.42 113.22 3d1m h ASP 132 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3d1m h ASP 132 Cb 0.20 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3d1m h ASP 132 CO 0.00 1.35 0.00 0.61 -1.72 0.00 0.00 179.24 179.48 3d1m n GLY 133 N 0.77 1.13 0.03 2.75 0.00 -1.26 -4.98 105.19 103.63 3d1m n GLY 133 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3d1m n GLY 133 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3d1m n HIS 134 N -1.56 0.00 -2.49 1.61 1.44 -1.26 -4.86 115.22 108.11 3d1m n HIS 134 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 3d1m n HIS 134 Cb 0.00 -0.33 -0.04 0.00 0.12 0.00 0.00 29.99 29.74 3d1m n HIS 134 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3d1m s HIS 135 N -2.83 3.41 0.65 -1.40 3.76 -1.26 -5.03 115.29 112.60 3d1m s HIS 135 Ca 0.18 1.50 -0.18 0.00 -0.15 0.00 0.00 55.06 56.41 3d1m s HIS 135 Cb 0.19 -2.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 3d1m s HIS 135 CO 0.56 -0.32 1.24 0.43 -0.85 0.00 0.00 174.74 175.80 3d1m n SER 136 N -1.37 1.83 -4.59 1.40 7.64 -1.26 -4.89 113.62 112.37 3d1m n SER 136 Ca 0.07 0.81 -0.45 0.00 1.01 0.00 0.00 58.87 60.30 3d1m n SER 136 Cb 0.54 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 3d1m n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d1m n GLU 137 N -1.87 1.36 -1.01 1.43 4.71 -1.26 -1.21 120.64 122.79 3d1m n GLU 137 Ca 0.16 0.48 -0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3d1m n GLU 137 Cb 0.48 -1.90 -0.00 0.00 -1.01 0.00 0.00 31.44 29.01 3d1m n GLU 137 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3d1m n GLU 138 N 1.03 -0.33 -1.94 3.49 1.02 -1.26 -5.00 120.64 117.65 3d1m n GLU 138 Ca 0.11 0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.98 3d1m n GLU 138 Cb 0.30 -3.45 -0.03 0.00 -0.02 0.00 0.00 31.44 28.25 3d1m n GLU 138 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3d1m s SER 139 N -2.11 6.58 0.33 1.62 0.15 -0.35 -4.81 113.70 115.11 3d1m s SER 139 Ca 0.00 2.67 0.24 0.00 0.70 0.00 0.00 55.95 59.56 3d1m s SER 139 Cb 0.00 -2.61 1.20 0.00 -1.71 0.00 0.00 66.02 62.90 3d1m s SER 139 CO 0.00 -0.79 1.72 -0.07 1.20 0.00 0.00 173.24 175.30 3d1m h LEU 140 N 5.98 0.00 -1.82 3.45 3.38 -1.94 -1.81 115.31 122.54 3d1m h LEU 140 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3d1m h LEU 140 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3d1m h LEU 140 CO 0.85 0.00 0.02 0.45 0.09 0.00 0.00 178.44 179.85 3d1m h HIS 141 N 0.00 0.13 0.00 1.13 3.86 -1.85 -1.59 115.15 116.83 3d1m h HIS 141 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3d1m h HIS 141 Cb 0.11 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3d1m h HIS 141 CO 0.00 0.12 0.00 0.66 0.86 0.00 0.00 177.93 179.57 3d1m n TYR 142 N -4.47 0.00 0.04 2.45 4.01 -0.68 -1.63 117.16 116.87 3d1m n TYR 142 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 3d1m n TYR 142 Cb 0.12 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 38.94 3d1m n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3d1m n GLU 143 N -1.23 1.19 -1.46 -0.72 1.02 -0.64 -0.70 120.64 118.09 3d1m n GLU 143 Ca 0.13 -1.16 -0.08 0.00 -0.02 0.00 0.00 57.16 56.03 3d1m n GLU 143 Cb 0.18 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3d1m n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d1m n GLY 144 N -0.03 0.80 0.50 0.62 0.00 -1.15 -4.72 105.19 101.20 3d1m n GLY 144 Ca 0.02 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.47 3d1m n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d1m n ARG 145 N -2.53 1.26 -3.99 1.61 1.74 -0.93 -0.93 116.66 112.89 3d1m n ARG 145 Ca -0.09 -1.43 -0.11 0.00 -0.77 0.00 0.00 57.85 55.46 3d1m n ARG 145 Cb 0.35 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.44 3d1m n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d1m s ALA 146 N -0.94 0.20 0.02 7.54 0.00 -1.21 -1.21 121.76 126.17 3d1m s ALA 146 Ca 0.16 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.65 3d1m s ALA 146 Cb 0.10 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3d1m s ALA 146 CO 0.14 -0.10 -0.15 0.14 0.00 0.00 0.00 175.76 175.80 3d1m s VAL 147 N -1.15 1.18 -0.12 0.00 -7.23 -0.07 -4.33 120.40 108.67 3d1m s VAL 147 Ca -0.11 -0.89 -0.09 0.00 -1.81 0.00 0.00 61.98 59.08 3d1m s VAL 147 Cb -0.08 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 3d1m s VAL 147 CO -0.01 0.13 0.19 -1.81 -0.31 0.00 0.00 175.10 173.30 3d1m s ASP 148 N -0.86 6.42 0.05 4.85 1.01 -0.10 -1.07 116.67 126.97 3d1m s ASP 148 Ca 0.04 0.50 0.01 0.00 0.71 0.00 0.00 52.55 53.81 3d1m s ASP 148 Cb -0.07 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 3d1m s ASP 148 CO 0.01 0.32 -0.06 0.27 0.21 0.00 0.00 175.17 175.92 3d1m s ILE 149 N -0.63 0.44 0.33 0.77 -4.36 0.22 -0.56 121.20 117.41 3d1m s ILE 149 Ca 0.15 -1.28 0.04 0.00 -0.26 0.00 0.00 60.65 59.30 3d1m s ILE 149 Cb -0.13 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.72 3d1m s ILE 149 CO 0.04 -0.57 0.18 0.42 0.24 0.00 0.00 174.94 175.26 3d1m s THR 150 N -2.10 0.29 0.51 8.37 -4.23 0.03 -1.06 115.64 117.46 3d1m s THR 150 Ca -0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 3d1m s THR 150 Cb -0.05 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 3d1m s THR 150 CO -0.02 0.00 0.91 0.42 -0.54 0.00 0.00 174.62 175.39 3d1m s THR 151 N -3.49 4.70 0.58 3.99 -4.23 -1.26 -0.77 115.64 115.16 3d1m s THR 151 Ca 0.34 0.82 0.28 0.00 -1.18 0.00 0.00 61.69 61.95 3d1m s THR 151 Cb 0.04 -3.79 0.35 0.00 1.34 0.00 0.00 72.50 70.44 3d1m s THR 151 CO 0.19 -0.80 2.21 0.77 -0.54 0.00 0.00 174.62 176.46 3d1m h SER 152 N 0.56 0.00 -0.01 3.99 4.64 -0.57 -1.50 113.55 120.65 3d1m h SER 152 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3d1m h SER 152 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3d1m h SER 152 CO 0.62 0.00 -0.01 -0.90 -0.87 0.00 0.00 176.83 175.67 3d1m n ASP 153 N -3.94 1.73 -2.30 4.97 5.68 -1.26 -4.94 116.55 116.49 3d1m n ASP 153 Ca -0.02 -1.56 -0.15 0.00 -0.50 0.00 0.00 54.79 52.56 3d1m n ASP 153 Cb 0.13 0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.10 3d1m n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3d1m n ARG 154 N 0.34 -1.98 -2.57 0.11 3.00 -0.57 -4.92 116.66 110.07 3d1m n ARG 154 Ca 0.18 0.73 -0.42 0.00 -0.01 0.00 0.00 57.85 58.34 3d1m n ARG 154 Cb 0.39 -5.31 -0.03 0.00 0.00 0.00 0.00 32.46 27.52 3d1m n ARG 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3d1m s ASP 155 N -2.06 6.35 0.48 0.55 2.15 -1.26 -4.87 116.67 118.00 3d1m s ASP 155 Ca 0.00 -0.09 0.32 0.00 0.43 0.00 0.00 52.55 53.21 3d1m s ASP 155 Cb 0.00 -2.56 1.32 0.00 -0.30 0.00 0.00 42.92 41.39 3d1m s ASP 155 CO 0.00 -1.61 1.93 0.03 -0.17 0.00 0.00 175.17 175.35 3d1m h ARG 156 N 9.73 0.00 0.00 4.34 3.08 -1.93 -0.90 114.38 128.70 3d1m h ARG 156 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3d1m h ARG 156 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3d1m h ARG 156 CO 1.22 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 180.55 3d1m n SER 157 N -2.86 0.50 -0.01 7.04 7.64 -1.26 -1.71 113.62 122.95 3d1m n SER 157 Ca 0.01 0.66 0.11 0.00 1.01 0.00 0.00 58.87 60.66 3d1m n SER 157 Cb 0.27 -0.75 0.07 0.00 -1.01 0.00 0.00 64.21 62.78 3d1m n SER 157 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3d1m n LYS 158 N -2.09 0.02 0.01 1.43 5.02 -0.34 -4.58 118.16 117.63 3d1m n LYS 158 Ca 0.01 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 3d1m n LYS 158 Cb 0.14 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.83 3d1m n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3d1m h TYR 159 N 0.04 0.55 -0.76 2.13 -1.99 -1.45 0.20 116.97 115.70 3d1m h TYR 159 Ca 0.00 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.55 3d1m h TYR 159 Cb 0.50 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 3d1m h TYR 159 CO 0.00 0.73 0.26 0.78 -0.00 0.00 0.00 178.16 179.93 3d1m h GLY 160 N 1.04 1.25 1.48 3.88 0.00 -1.78 -0.05 103.07 108.89 3d1m h GLY 160 Ca 0.06 -0.71 -0.22 0.00 0.00 0.00 0.00 47.33 46.46 3d1m h GLY 160 CO 0.06 0.67 -0.87 1.98 0.00 0.00 0.00 176.54 178.38 3d1m h MET 161 N 1.12 0.48 -0.87 4.80 1.85 -1.74 -1.53 114.93 119.04 3d1m h MET 161 Ca 0.25 -0.46 0.07 0.00 -0.61 0.00 0.00 59.70 58.94 3d1m h MET 161 Cb 0.27 0.12 -0.06 0.00 0.43 0.00 0.00 31.60 32.36 3d1m h MET 161 CO -0.01 1.10 0.54 1.25 -0.40 0.00 0.00 176.91 179.39 3d1m h LEU 162 N 0.30 0.84 -0.29 3.39 5.85 -0.54 0.22 115.31 125.08 3d1m h LEU 162 Ca -0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3d1m h LEU 162 Cb 1.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 3d1m h LEU 162 CO 0.16 0.53 0.14 0.00 -0.34 0.00 0.00 178.44 178.93 3d1m h ALA 163 N 1.42 0.37 -0.61 1.25 0.00 -0.86 -0.59 119.26 120.24 3d1m h ALA 163 Ca 0.38 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3d1m h ALA 163 Cb 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3d1m h ALA 163 CO -0.18 -0.08 0.34 -0.09 0.00 0.00 0.00 179.25 179.24 3d1m h ARG 164 N 0.34 0.63 -0.55 0.00 9.65 -0.79 -1.58 114.38 122.07 3d1m h ARG 164 Ca 0.10 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3d1m h ARG 164 Cb 0.10 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3d1m h ARG 164 CO -0.01 0.41 0.30 -0.07 2.80 0.00 0.00 179.97 183.40 3d1m h LEU 165 N 0.65 0.67 -0.79 3.80 3.38 -0.13 -1.12 115.31 121.76 3d1m h LEU 165 Ca 0.26 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 3d1m h LEU 165 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3d1m h LEU 165 CO -0.15 0.54 0.16 0.00 0.09 0.00 0.00 178.44 179.08 3d1m h ALA 166 N 1.57 1.01 -0.35 1.53 0.00 -0.34 -0.31 119.26 122.37 3d1m h ALA 166 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3d1m h ALA 166 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d1m h ALA 166 CO -0.03 0.64 0.21 0.28 0.00 0.00 0.00 179.25 180.35 3d1m h VAL 167 N 1.01 1.13 0.00 0.00 2.07 -0.72 -2.67 116.25 117.07 3d1m h VAL 167 Ca 0.21 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3d1m h VAL 167 Cb 0.36 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3d1m h VAL 167 CO 0.00 0.13 -0.27 -0.33 0.02 0.00 0.00 177.57 177.12 3d1m h GLU 168 N 0.45 0.00 0.00 1.57 5.08 -0.83 -1.28 114.58 119.58 3d1m h GLU 168 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3d1m h GLU 168 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3d1m h GLU 168 CO -0.02 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 3d1m n ALA 169 N -2.40 1.94 -0.09 3.43 0.00 -0.16 -4.91 120.51 118.31 3d1m n ALA 169 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3d1m n ALA 169 Cb 0.34 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3d1m n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1m n GLY 170 N 0.56 0.95 3.67 0.00 0.00 -0.48 -4.64 105.19 105.26 3d1m n GLY 170 Ca 0.05 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3d1m n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d1m n PHE 171 N -2.09 2.16 0.21 1.61 3.72 -1.03 -4.89 117.46 117.15 3d1m n PHE 171 Ca 0.00 0.46 0.07 0.00 -0.05 0.00 0.00 57.45 57.93 3d1m n PHE 171 Cb 0.00 -2.45 0.43 0.00 -0.94 0.00 0.00 39.48 36.52 3d1m n PHE 171 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3d1m h ASP 172 N 3.90 0.00 -3.74 4.37 3.32 -1.49 -3.44 116.42 119.34 3d1m h ASP 172 Ca -0.45 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.44 3d1m h ASP 172 Cb 1.28 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.57 3d1m h ASP 172 CO 0.73 0.31 -0.41 0.86 -1.72 0.00 0.00 179.24 179.02 3d1m s TRP 173 N -3.81 -0.32 -0.03 4.55 -0.00 -0.95 -4.28 118.94 114.10 3d1m s TRP 173 Ca -0.01 0.76 0.01 0.00 -0.00 0.00 0.00 56.10 56.86 3d1m s TRP 173 Cb 0.12 0.10 0.02 0.00 -0.00 0.00 0.00 33.47 33.71 3d1m s TRP 173 CO 0.67 -0.16 -0.01 0.08 -0.00 0.00 0.00 176.95 177.52 3d1m s VAL 174 N 0.35 0.27 -0.05 5.86 1.01 -0.38 -0.85 120.40 126.62 3d1m s VAL 174 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3d1m s VAL 174 Cb -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3d1m s VAL 174 CO -0.01 0.16 0.02 -0.47 0.00 0.00 0.00 175.10 174.80 3d1m s TYR 175 N 0.93 0.33 -1.38 5.22 5.04 0.48 -0.92 117.35 127.06 3d1m s TYR 175 Ca -0.10 0.04 -0.16 0.00 -2.44 0.00 0.00 57.07 54.40 3d1m s TYR 175 Cb -0.13 -0.55 0.06 0.00 0.35 0.00 0.00 41.96 41.68 3d1m s TYR 175 CO -0.01 -0.21 1.97 0.98 -1.34 0.00 0.00 175.55 176.94 3d1m n TYR 176 N 4.83 4.13 -0.04 4.97 4.19 -0.11 -0.81 117.16 134.31 3d1m n TYR 176 Ca -0.13 -2.91 -0.07 0.00 3.31 0.00 0.00 57.90 58.10 3d1m n TYR 176 Cb 0.50 -2.60 0.11 0.00 0.49 0.00 0.00 39.34 37.84 3d1m n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3d1m h GLU 177 N 6.82 0.66 -4.15 2.98 4.81 -1.85 -0.58 114.58 123.28 3d1m h GLU 177 Ca 0.51 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3d1m h GLU 177 Cb 0.76 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.98 3d1m h GLU 177 CO 1.66 0.88 -0.61 0.45 -0.73 0.00 0.00 179.01 180.67 3d1m s SER 178 N -6.80 0.41 0.41 1.04 0.15 -1.13 -4.83 113.70 102.94 3d1m s SER 178 Ca -0.08 -0.93 0.29 0.00 0.70 0.00 0.00 55.95 55.93 3d1m s SER 178 Cb 0.13 0.23 1.39 0.00 -1.71 0.00 0.00 66.02 66.06 3d1m s SER 178 CO 0.83 -0.63 1.88 0.11 1.20 0.00 0.00 173.24 176.62 3d1m h LYS 179 N 3.06 0.00 -0.00 5.44 1.57 -2.02 -3.07 116.57 121.55 3d1m h LYS 179 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3d1m h LYS 179 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3d1m h LYS 179 CO 0.64 0.00 -0.95 0.00 -0.57 0.00 0.00 179.45 178.56 3d1m n ALA 180 N -1.90 4.66 -3.57 3.86 0.00 -1.26 -4.96 120.51 117.34 3d1m n ALA 180 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 53.44 52.79 3d1m n ALA 180 Cb 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 3d1m n ALA 180 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3d1m s HIS 181 N -3.00 -0.30 -0.08 0.00 -3.43 -1.16 -4.85 115.29 102.46 3d1m s HIS 181 Ca 0.08 0.10 -0.01 0.00 -0.80 0.00 0.00 55.06 54.43 3d1m s HIS 181 Cb 0.16 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.85 3d1m s HIS 181 CO 0.85 -0.68 -0.01 0.42 -2.00 0.00 0.00 174.74 173.32 3d1m s ILE 182 N -3.27 4.21 -0.19 -5.38 -1.09 -0.22 -2.84 121.20 112.42 3d1m s ILE 182 Ca 0.07 -0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 58.13 3d1m s ILE 182 Cb -0.01 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 3d1m s ILE 182 CO -0.06 0.60 0.05 -2.28 -1.23 0.00 0.00 174.94 172.03 3d1m s HIS 183 N -0.86 3.21 -0.05 3.97 5.65 0.01 -0.61 115.29 126.60 3d1m s HIS 183 Ca 0.13 -0.02 0.02 0.00 0.25 0.00 0.00 55.06 55.44 3d1m s HIS 183 Cb -0.11 -2.09 0.01 0.00 -1.18 0.00 0.00 32.58 29.21 3d1m s HIS 183 CO 0.02 0.07 -0.11 0.00 -0.65 0.00 0.00 174.74 174.07 3d1m s SER 185 N 0.55 1.29 0.14 0.00 1.04 -0.03 -0.89 113.70 115.80 3d1m s SER 185 Ca -0.11 -1.28 0.04 0.00 0.48 0.00 0.00 55.95 55.08 3d1m s SER 185 Cb -0.14 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3d1m s SER 185 CO 0.03 -0.64 -0.10 0.68 0.98 0.00 0.00 173.24 174.19 3d1m s VAL 186 N -3.67 1.10 0.79 5.02 -7.23 -0.35 -1.22 120.40 114.85 3d1m s VAL 186 Ca 0.31 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 3d1m s VAL 186 Cb 0.07 -1.78 0.07 0.00 0.56 0.00 0.00 36.38 35.31 3d1m s VAL 186 CO 0.09 -0.73 1.16 -0.54 -0.31 0.00 0.00 175.10 174.77 3d1m s LYS 187 N -3.64 1.85 0.00 4.82 1.02 -1.25 -4.85 119.74 117.70 3d1m s LYS 187 Ca 0.15 1.56 0.06 0.00 0.02 0.00 0.00 55.97 57.76 3d1m s LYS 187 Cb 0.02 -1.82 0.33 0.00 -0.52 0.00 0.00 37.83 35.85 3d1m s LYS 187 CO -0.00 -2.01 0.80 0.00 -0.92 0.00 0.00 175.35 173.22