#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h53 s ARG 45 N 0.00 4.46 0.01 0.00 0.52 -1.26 -4.87 118.95 117.81 2h53 s ARG 45 Ca 0.00 1.68 0.03 0.00 -0.52 0.00 0.00 55.73 56.92 2h53 s ARG 45 Cb 0.00 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 2h53 s ARG 45 CO 0.00 -0.22 -0.11 -1.64 0.02 0.00 0.00 175.30 173.36 2h53 s MET 46 N 1.11 0.81 0.13 3.54 -1.94 -1.25 -0.94 119.30 120.75 2h53 s MET 46 Ca 0.57 -0.47 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 2h53 s MET 46 Cb -0.27 -0.77 -0.04 0.00 2.01 0.00 0.00 34.83 35.76 2h53 s MET 46 CO 0.28 0.20 0.05 -0.51 -0.01 0.00 0.00 175.02 175.04 2h53 s ASP 47 N -0.53 5.19 -0.28 3.03 1.01 -0.21 -4.92 116.67 119.97 2h53 s ASP 47 Ca 0.02 -0.19 -0.02 0.00 0.71 0.00 0.00 52.55 53.08 2h53 s ASP 47 Cb -0.05 -1.27 0.09 0.00 1.01 0.00 0.00 42.92 42.70 2h53 s ASP 47 CO 0.00 0.12 0.09 0.86 0.21 0.00 0.00 175.17 176.45 2h53 s TRP 48 N -1.55 1.27 0.21 4.23 -0.00 -1.26 -1.43 118.94 120.41 2h53 s TRP 48 Ca 0.28 -1.34 0.09 0.00 -0.00 0.00 0.00 56.10 55.13 2h53 s TRP 48 Cb -0.11 -1.38 -0.04 0.00 -0.00 0.00 0.00 33.47 31.94 2h53 s TRP 48 CO 0.20 -0.80 -0.04 0.15 -0.00 0.00 0.00 176.95 176.46 2h53 s LYS 49 N 1.77 2.22 -0.10 5.86 1.02 -0.04 -4.98 119.74 125.50 2h53 s LYS 49 Ca 0.07 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 54.78 2h53 s LYS 49 Cb -0.17 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2h53 s LYS 49 CO -0.23 0.41 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.45 2h53 s GLU 50 N -3.18 2.24 0.36 1.68 2.12 -1.26 0.45 118.70 121.11 2h53 s GLU 50 Ca 0.28 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 55.10 2h53 s GLU 50 Cb -0.08 -1.84 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 2h53 s GLU 50 CO 0.18 0.01 0.30 0.95 -0.54 0.00 0.00 175.26 176.15 2h53 s THR 51 N 0.78 3.20 0.55 -1.70 -4.23 0.15 -4.98 115.64 109.41 2h53 s THR 51 Ca -0.11 -1.41 0.22 0.00 -1.18 0.00 0.00 61.69 59.21 2h53 s THR 51 Cb -0.16 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.89 2h53 s THR 51 CO 0.02 -0.12 2.17 -0.65 -0.54 0.00 0.00 174.62 175.49 2h53 h PRO 52 N 1.23 0.00 0.01 3.99 0.11 -2.04 -2.91 132.00 132.40 2h53 h PRO 52 Ca -0.44 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.36 2h53 h PRO 52 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 2h53 h PRO 52 CO 0.59 0.00 -1.84 0.39 -0.21 0.00 0.00 178.00 176.93 2h53 n GLU 53 N -4.27 0.65 -3.68 1.05 4.71 -1.26 -4.91 120.64 112.93 2h53 n GLU 53 Ca -0.02 0.25 -0.06 0.00 -0.01 0.00 0.00 57.16 57.33 2h53 n GLU 53 Cb 0.14 -1.75 -0.02 0.00 -1.01 0.00 0.00 31.44 28.81 2h53 n GLU 53 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2h53 s ALA 54 N -2.58 -1.61 -0.17 0.62 0.00 -1.10 -0.89 121.76 116.04 2h53 s ALA 54 Ca -0.08 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 2h53 s ALA 54 Cb 0.08 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2h53 s ALA 54 CO 0.82 -0.94 0.46 -1.01 0.00 0.00 0.00 175.76 175.09 2h53 s HIS 55 N -3.41 3.42 -0.14 0.00 3.76 -0.44 0.35 115.29 118.83 2h53 s HIS 55 Ca 0.09 0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 2h53 s HIS 55 Cb -0.02 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.07 2h53 s HIS 55 CO -0.01 0.03 -0.11 0.08 -0.85 0.00 0.00 174.74 173.88 2h53 s VAL 56 N 1.17 3.26 -0.07 -0.90 1.01 0.17 -0.91 120.40 124.13 2h53 s VAL 56 Ca 0.23 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.65 2h53 s VAL 56 Cb -0.15 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2h53 s VAL 56 CO 0.09 0.51 -0.13 -0.36 0.00 0.00 0.00 175.10 175.22 2h53 s PHE 57 N 0.40 2.76 0.06 5.22 0.40 0.05 -0.86 117.98 126.02 2h53 s PHE 57 Ca -0.09 -0.20 0.09 0.00 -0.60 0.00 0.00 56.93 56.13 2h53 s PHE 57 Cb -0.15 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 2h53 s PHE 57 CO 0.05 0.15 -0.24 0.15 0.70 0.00 0.00 175.22 176.03 2h53 s LYS 58 N -0.57 1.52 -0.08 0.44 -0.14 -0.52 -0.54 119.74 119.85 2h53 s LYS 58 Ca 0.08 -1.07 -0.03 0.00 -1.36 0.00 0.00 55.97 53.59 2h53 s LYS 58 Cb -0.11 -1.72 0.04 0.00 -1.68 0.00 0.00 37.83 34.36 2h53 s LYS 58 CO 0.01 0.43 0.17 0.00 -0.76 0.00 0.00 175.35 175.20 2h53 s ALA 59 N -0.86 -0.30 -0.25 5.17 0.00 0.21 -1.04 121.76 124.69 2h53 s ALA 59 Ca 0.10 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 2h53 s ALA 59 Cb -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.46 2h53 s ALA 59 CO 0.03 -0.25 1.13 -0.51 0.00 0.00 0.00 175.76 176.16 2h53 s ASP 60 N 1.43 6.97 -0.38 0.00 1.01 -0.11 -0.27 116.67 125.32 2h53 s ASP 60 Ca -0.07 1.34 0.13 0.00 0.71 0.00 0.00 52.55 54.66 2h53 s ASP 60 Cb -0.12 -2.54 0.40 0.00 1.01 0.00 0.00 42.92 41.67 2h53 s ASP 60 CO -0.06 -0.80 0.86 0.18 0.21 0.00 0.00 175.17 175.56 2h53 n LEU 61 N 6.70 1.73 -4.70 1.23 4.77 0.27 -4.24 117.00 122.75 2h53 n LEU 61 Ca 0.13 -4.61 -0.41 0.00 -0.03 0.00 0.00 56.01 51.09 2h53 n LEU 61 Cb 0.46 0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2h53 n LEU 61 CO 0.56 2.02 0.89 -0.81 -1.33 0.00 0.00 177.39 178.72 2h53 n PRO 62 N 0.04 1.93 -1.50 3.23 -0.04 -1.18 -2.53 135.00 134.95 2h53 n PRO 62 Ca 0.21 0.69 -0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2h53 n PRO 62 Cb 0.69 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 2h53 n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h53 n GLY 63 N 0.81 1.09 3.24 0.55 0.00 -1.26 -5.01 105.19 104.61 2h53 n GLY 63 Ca 0.07 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2h53 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h53 s VAL 64 N -2.48 2.65 0.36 1.61 1.01 -1.05 -4.80 120.40 117.69 2h53 s VAL 64 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2h53 s VAL 64 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 2h53 s VAL 64 CO 0.00 0.51 0.83 -0.54 0.00 0.00 0.00 175.10 175.89 2h53 s LYS 65 N 1.01 4.13 0.25 2.72 1.02 -1.26 -4.93 119.74 122.68 2h53 s LYS 65 Ca -0.01 0.88 0.13 0.00 0.02 0.00 0.00 55.97 56.99 2h53 s LYS 65 Cb -0.15 -2.38 0.71 0.00 -0.52 0.00 0.00 37.83 35.50 2h53 s LYS 65 CO -0.03 0.10 1.33 0.36 -0.92 0.00 0.00 175.35 176.19 2h53 n LYS 66 N -0.36 0.09 0.00 1.68 2.85 -1.26 -0.01 118.16 121.14 2h53 n LYS 66 Ca 0.04 0.55 0.13 0.00 -1.05 0.00 0.00 58.31 57.99 2h53 n LYS 66 Cb 0.53 -1.94 0.50 0.00 -0.65 0.00 0.00 35.03 33.47 2h53 n LYS 66 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2h53 n GLU 67 N -1.97 0.13 0.00 -1.58 4.71 -1.26 -3.46 120.64 117.21 2h53 n GLU 67 Ca -0.01 -0.04 0.08 0.00 -0.01 0.00 0.00 57.16 57.18 2h53 n GLU 67 Cb 0.17 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.14 2h53 n GLU 67 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2h53 n GLU 68 N -1.40 1.47 -4.54 3.49 1.02 0.98 -4.96 120.64 116.70 2h53 n GLU 68 Ca 0.08 -1.18 -0.32 0.00 -0.02 0.00 0.00 57.16 55.71 2h53 n GLU 68 Cb 0.32 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 2h53 n GLU 68 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2h53 s VAL 69 N -1.58 3.55 -0.06 2.62 1.01 -1.22 -2.37 120.40 122.36 2h53 s VAL 69 Ca 0.16 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2h53 s VAL 69 Cb 0.13 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2h53 s VAL 69 CO 0.29 0.45 -0.12 -0.75 0.00 0.00 0.00 175.10 174.97 2h53 s LYS 70 N -1.23 1.58 -0.20 2.72 2.20 0.15 -4.97 119.74 119.99 2h53 s LYS 70 Ca 0.15 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 2h53 s LYS 70 Cb -0.11 -1.34 0.03 0.00 -1.51 0.00 0.00 37.83 34.91 2h53 s LYS 70 CO 0.05 0.06 -0.17 0.08 -0.36 0.00 0.00 175.35 175.02 2h53 s VAL 71 N 0.54 2.02 0.30 4.02 1.01 -1.26 -1.74 120.40 125.30 2h53 s VAL 71 Ca -0.12 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.80 2h53 s VAL 71 Cb -0.14 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2h53 s VAL 71 CO 0.03 0.36 0.22 -1.61 0.00 0.00 0.00 175.10 174.09 2h53 s GLU 72 N 1.26 1.61 -0.24 2.72 2.02 -0.25 -4.99 118.70 120.83 2h53 s GLU 72 Ca 0.01 -1.92 -0.01 0.00 0.02 0.00 0.00 54.97 53.07 2h53 s GLU 72 Cb -0.15 0.19 0.07 0.00 0.10 0.00 0.00 34.13 34.34 2h53 s GLU 72 CO -0.10 -0.55 0.01 0.08 0.02 0.00 0.00 175.26 174.72 2h53 s VAL 73 N -3.63 1.09 0.42 2.63 1.01 -1.26 -0.07 120.40 120.59 2h53 s VAL 73 Ca 0.39 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2h53 s VAL 73 Cb 0.04 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2h53 s VAL 73 CO 0.22 -0.28 0.60 -1.61 0.00 0.00 0.00 175.10 174.03 2h53 s GLU 74 N 1.58 3.02 -0.15 2.72 2.02 0.77 -4.42 118.70 124.23 2h53 s GLU 74 Ca -0.00 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.24 2h53 s GLU 74 Cb -0.18 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2h53 s GLU 74 CO -0.11 -0.20 0.00 -0.25 0.02 0.00 0.00 175.26 174.73 2h53 n ASP 75 N -1.94 -0.98 0.00 -0.19 8.00 -1.26 -0.97 116.55 119.21 2h53 n ASP 75 Ca 0.02 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2h53 n ASP 75 Cb 0.58 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2h53 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h53 n GLY 76 N -0.33 2.56 1.08 0.44 0.00 -1.26 -4.64 105.19 103.04 2h53 n GLY 76 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2h53 n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2h53 n ASN 77 N 0.86 0.35 -4.11 1.61 6.94 -0.69 -4.98 115.26 115.24 2h53 n ASN 77 Ca 0.00 -1.92 -0.33 0.00 -0.02 0.00 0.00 54.58 52.31 2h53 n ASN 77 Cb 0.00 -0.16 -0.15 0.00 -2.36 0.00 0.00 39.78 37.12 2h53 n ASN 77 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2h53 s VAL 78 N 0.00 2.46 0.01 3.53 1.01 -0.15 0.10 120.40 127.36 2h53 s VAL 78 Ca 0.17 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 2h53 s VAL 78 Cb 0.20 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2h53 s VAL 78 CO -0.09 -0.03 1.35 -0.22 0.00 0.00 0.00 175.10 176.12 2h53 s LEU 79 N 1.16 4.32 -0.20 3.92 2.96 0.96 -0.17 118.68 131.63 2h53 s LEU 79 Ca -0.07 2.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.94 2h53 s LEU 79 Cb -0.20 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.97 2h53 s LEU 79 CO -0.04 -0.67 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.51 2h53 s VAL 80 N 2.10 1.79 -0.25 1.68 1.01 0.90 -1.45 120.40 126.18 2h53 s VAL 80 Ca 0.62 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2h53 s VAL 80 Cb -0.31 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2h53 s VAL 80 CO 0.27 0.20 0.02 -0.69 0.00 0.00 0.00 175.10 174.90 2h53 s VAL 81 N 1.34 3.73 0.15 2.92 1.01 0.70 -1.10 120.40 129.16 2h53 s VAL 81 Ca -0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 2h53 s VAL 81 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2h53 s VAL 81 CO -0.09 0.27 0.28 -0.94 0.00 0.00 0.00 175.10 174.62 2h53 s SER 82 N 1.50 0.04 0.00 3.32 1.04 -0.71 0.29 113.70 119.18 2h53 s SER 82 Ca 0.04 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2h53 s SER 82 Cb -0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2h53 s SER 82 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2h53 n GLY 83 N -0.19 -0.99 2.96 7.32 0.00 -1.00 0.35 105.19 113.64 2h53 n GLY 83 Ca -0.09 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 2h53 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h53 s GLU 84 N -1.19 0.36 -0.88 1.61 2.12 -1.00 -1.55 118.70 118.18 2h53 s GLU 84 Ca 0.00 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 2h53 s GLU 84 Cb 0.00 -0.29 0.22 0.00 0.26 0.00 0.00 34.13 34.32 2h53 s GLU 84 CO 0.00 0.07 0.80 0.50 -0.54 0.00 0.00 175.26 176.10 2h53 s ARG 85 N -0.41 3.51 0.12 4.30 3.00 0.20 -4.89 118.95 124.79 2h53 s ARG 85 Ca -0.01 -2.83 -0.35 0.00 -1.00 0.00 0.00 55.73 51.53 2h53 s ARG 85 Cb -0.03 -4.24 -0.16 0.00 0.00 0.00 0.00 34.95 30.51 2h53 s ARG 85 CO -0.00 -1.25 1.37 2.41 0.00 0.00 0.00 175.30 177.83 2h53 n THR 86 N 3.23 0.14 -2.81 4.11 -1.04 -1.26 -0.94 114.28 115.72 2h53 n THR 86 Ca 0.17 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.73 2h53 n THR 86 Cb 0.41 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 2h53 n THR 86 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2h53 s LYS 87 N 0.43 4.50 -1.38 -2.82 2.47 -1.26 -4.88 119.74 116.80 2h53 s LYS 87 Ca 0.81 1.25 -0.10 0.00 -1.56 0.00 0.00 55.97 56.38 2h53 s LYS 87 Cb -0.87 -3.47 0.09 0.00 -1.46 0.00 0.00 37.83 32.12 2h53 s LYS 87 CO 0.46 -0.06 2.22 -1.91 0.16 0.00 0.00 175.35 176.22 2h53 n GLU 88 N 4.05 3.69 -0.33 4.03 4.07 -1.26 -4.84 120.64 130.05 2h53 n GLU 88 Ca 0.04 -3.13 0.14 0.00 -0.06 0.00 0.00 57.16 54.15 2h53 n GLU 88 Cb 0.51 -2.92 0.28 0.00 -0.06 0.00 0.00 31.44 29.25 2h53 n GLU 88 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2h53 h LYS 89 N 5.43 0.04 0.00 5.31 1.57 -2.03 -3.46 116.57 123.42 2h53 h LYS 89 Ca 0.57 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2h53 h LYS 89 Cb 0.51 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2h53 h LYS 89 CO 1.67 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 180.97 2h53 n GLU 90 N -5.44 0.00 -4.11 3.15 1.02 -1.26 -4.90 120.64 109.09 2h53 n GLU 90 Ca 0.22 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.13 2h53 n GLU 90 Cb 0.73 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.08 2h53 n GLU 90 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2h53 s ASP 91 N -4.00 4.63 0.00 1.62 -4.77 -1.26 -5.03 116.67 107.86 2h53 s ASP 91 Ca 0.00 -0.81 0.24 0.00 -3.30 0.00 0.00 52.55 48.68 2h53 s ASP 91 Cb 0.00 -0.69 1.07 0.00 -1.09 0.00 0.00 42.92 42.21 2h53 s ASP 91 CO 0.00 -0.32 1.77 0.29 0.70 0.00 0.00 175.17 177.61 2h53 n LYS 92 N -1.14 0.11 0.22 2.11 5.02 -1.26 -2.68 118.16 120.53 2h53 n LYS 92 Ca -0.03 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.42 2h53 n LYS 92 Cb 0.62 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.62 2h53 n LYS 92 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2h53 h ASN 93 N 0.00 0.00 -4.20 4.39 2.35 -2.00 -3.44 115.58 112.68 2h53 h ASN 93 Ca 0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 2h53 h ASN 93 Cb 0.34 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.84 2h53 h ASN 93 CO 0.00 0.27 0.30 -1.81 -1.65 0.00 0.00 177.43 174.53 2h53 s ASP 94 N -6.51 4.07 -0.06 5.81 1.11 -1.09 -5.08 116.67 114.92 2h53 s ASP 94 Ca -0.02 1.44 -0.02 0.00 0.18 0.00 0.00 52.55 54.13 2h53 s ASP 94 Cb 0.13 -2.16 0.04 0.00 1.07 0.00 0.00 42.92 42.00 2h53 s ASP 94 CO 0.66 -2.26 0.11 -0.75 1.18 0.00 0.00 175.17 174.12 2h53 s LYS 95 N -5.03 0.04 -0.27 8.23 2.20 -1.26 -5.06 119.74 118.58 2h53 s LYS 95 Ca 0.62 0.36 -0.10 0.00 -0.36 0.00 0.00 55.97 56.48 2h53 s LYS 95 Cb -0.16 -0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 35.87 2h53 s LYS 95 CO 0.56 -0.20 0.17 -1.58 -0.36 0.00 0.00 175.35 173.93 2h53 s TRP 96 N 1.41 3.21 -0.10 4.03 0.52 -1.26 -4.94 118.94 121.81 2h53 s TRP 96 Ca -0.06 0.06 0.21 0.00 0.02 0.00 0.00 56.10 56.33 2h53 s TRP 96 Cb -0.12 -2.35 -0.24 0.00 -1.15 0.00 0.00 33.47 29.61 2h53 s TRP 96 CO -0.05 -0.16 0.57 0.72 0.02 0.00 0.00 176.95 178.05 2h53 n HIS 97 N 4.96 0.29 -3.64 -1.98 8.25 -1.26 -4.96 115.22 116.88 2h53 n HIS 97 Ca -0.14 0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 2h53 n HIS 97 Cb 0.52 -0.72 -0.07 0.00 1.12 0.00 0.00 29.99 30.84 2h53 n HIS 97 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2h53 s ARG 98 N -3.30 0.80 -0.19 -0.41 6.06 -1.26 -5.14 118.95 115.51 2h53 s ARG 98 Ca -0.06 0.97 -0.04 0.00 -2.50 0.00 0.00 55.73 54.09 2h53 s ARG 98 Cb 0.12 0.38 0.08 0.00 0.06 0.00 0.00 34.95 35.59 2h53 s ARG 98 CO 0.87 -0.10 0.19 0.08 -2.50 0.00 0.00 175.30 173.84 2h53 s VAL 99 N 0.41 -0.28 0.00 7.11 1.01 -1.26 -4.98 120.40 122.42 2h53 s VAL 99 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2h53 s VAL 99 Cb -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2h53 s VAL 99 CO 0.00 -0.20 0.00 -0.62 0.00 0.00 0.00 175.10 174.28 2h53 n GLU 100 N 5.31 1.82 -2.63 2.72 1.02 -1.26 -5.05 120.64 122.58 2h53 n GLU 100 Ca -0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.68 2h53 n GLU 100 Cb 0.49 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 2h53 n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2h53 s ARG 101 N -1.41 4.71 0.53 3.49 0.52 -1.26 -5.04 118.95 120.49 2h53 s ARG 101 Ca 0.00 1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 56.79 2h53 s ARG 101 Cb 0.00 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.20 2h53 s ARG 101 CO 0.00 0.28 0.79 -1.54 0.02 0.00 0.00 175.30 174.85 2h53 s SER 102 N -0.61 5.67 0.21 0.23 1.04 -1.26 -5.11 113.70 113.87 2h53 s SER 102 Ca 0.45 0.48 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 2h53 s SER 102 Cb -0.28 -1.57 -0.00 0.00 0.10 0.00 0.00 66.02 64.27 2h53 s SER 102 CO 0.34 -0.92 0.40 -0.94 0.98 0.00 0.00 173.24 173.10 2h53 s SER 103 N -4.28 -0.06 0.00 7.02 1.04 -1.26 -5.00 113.70 111.17 2h53 s SER 103 Ca 0.52 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2h53 s SER 103 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2h53 s SER 103 CO 0.42 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2h53 n GLY 104 N -0.31 0.14 3.85 7.32 0.00 -0.11 -4.91 105.19 111.16 2h53 n GLY 104 Ca -0.04 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 2h53 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h53 s LYS 105 N 0.00 4.00 0.02 1.61 1.02 -1.26 0.62 119.74 125.74 2h53 s LYS 105 Ca 0.00 0.65 0.01 0.00 0.02 0.00 0.00 55.97 56.65 2h53 s LYS 105 Cb 0.00 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2h53 s LYS 105 CO 0.00 0.18 -0.05 -0.59 -0.92 0.00 0.00 175.35 173.97 2h53 s PHE 106 N -1.95 0.45 -0.06 3.18 -0.12 -0.60 -4.94 117.98 113.94 2h53 s PHE 106 Ca 0.53 -0.31 -0.02 0.00 -0.05 0.00 0.00 56.93 57.08 2h53 s PHE 106 Cb -0.11 -0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.04 2h53 s PHE 106 CO 0.18 -0.07 0.11 0.08 -0.05 0.00 0.00 175.22 175.48 2h53 s VAL 107 N -0.81 -0.09 -0.03 -2.49 1.01 -1.26 -2.37 120.40 114.36 2h53 s VAL 107 Ca -0.06 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2h53 s VAL 107 Cb -0.06 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2h53 s VAL 107 CO -0.00 0.10 -0.05 -0.13 0.00 0.00 0.00 175.10 175.02 2h53 s ARG 108 N 1.39 0.74 -0.06 2.72 1.81 0.15 -4.95 118.95 120.74 2h53 s ARG 108 Ca -0.06 -0.12 0.03 0.00 -1.72 0.00 0.00 55.73 53.85 2h53 s ARG 108 Cb -0.12 -0.75 0.01 0.00 -0.45 0.00 0.00 34.95 33.64 2h53 s ARG 108 CO -0.05 -0.03 -0.13 1.03 -0.68 0.00 0.00 175.30 175.44 2h53 s ARG 109 N 0.69 1.67 0.01 3.54 0.52 -1.26 -0.21 118.95 123.92 2h53 s ARG 109 Ca -0.09 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2h53 s ARG 109 Cb -0.12 -1.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.93 2h53 s ARG 109 CO 0.00 0.08 -0.15 -0.06 0.02 0.00 0.00 175.30 175.19 2h53 s PHE 110 N 0.50 1.35 -0.38 -0.53 0.40 -0.53 -4.97 117.98 113.83 2h53 s PHE 110 Ca -0.12 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.72 2h53 s PHE 110 Cb -0.14 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.56 2h53 s PHE 110 CO 0.03 0.01 0.53 0.50 0.70 0.00 0.00 175.22 177.00 2h53 s ARG 111 N -0.74 3.49 0.92 0.44 3.52 -1.26 -0.03 118.95 125.29 2h53 s ARG 111 Ca 0.04 -0.27 -0.14 0.00 -0.13 0.00 0.00 55.73 55.23 2h53 s ARG 111 Cb -0.07 -3.86 0.16 0.00 -1.56 0.00 0.00 34.95 29.62 2h53 s ARG 111 CO 0.00 -0.74 1.25 -0.51 -0.81 0.00 0.00 175.30 174.49 2h53 s LEU 112 N 2.46 2.47 0.38 -0.88 1.43 0.11 -4.97 118.68 119.68 2h53 s LEU 112 Ca 0.19 0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 2h53 s LEU 112 Cb -0.15 -2.74 -0.09 0.00 0.03 0.00 0.00 46.19 43.24 2h53 s LEU 112 CO 0.14 -2.50 1.06 -0.76 0.23 0.00 0.00 176.35 174.53 2h53 s LEU 113 N -5.85 4.21 0.11 1.79 1.43 -1.26 -4.87 118.68 114.24 2h53 s LEU 113 Ca 0.69 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.94 2h53 s LEU 113 Cb -0.08 -4.09 0.36 0.00 0.03 0.00 0.00 46.19 42.41 2h53 s LEU 113 CO 0.52 -0.45 1.17 -0.62 0.23 0.00 0.00 176.35 177.20 2h53 n GLU 114 N 0.14 0.04 -3.27 1.70 -0.58 -1.26 -2.58 120.64 114.83 2h53 n GLU 114 Ca 0.04 0.51 -0.25 0.00 -0.42 0.00 0.00 57.16 57.04 2h53 n GLU 114 Cb 0.49 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 2h53 n GLU 114 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2h53 n ASP 115 N -1.71 2.00 -4.28 1.62 5.75 -1.26 -5.08 116.55 113.59 2h53 n ASP 115 Ca -0.00 -3.09 -0.26 0.00 -0.01 0.00 0.00 54.79 51.42 2h53 n ASP 115 Cb 0.06 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.37 2h53 n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2h53 s ALA 116 N -1.97 1.85 -0.41 2.12 0.00 -1.07 -4.94 121.76 117.35 2h53 s ALA 116 Ca 0.38 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 2h53 s ALA 116 Cb 0.18 -0.33 -0.16 0.00 0.00 0.00 0.00 23.12 22.81 2h53 s ALA 116 CO -0.07 0.41 1.66 1.63 0.00 0.00 0.00 175.76 179.39 2h53 n LYS 117 N 1.56 0.86 -0.14 0.00 4.76 -0.82 -4.66 118.16 119.74 2h53 n LYS 117 Ca -0.18 -1.23 0.27 0.00 -2.87 0.00 0.00 58.31 54.31 2h53 n LYS 117 Cb 0.53 -2.50 0.72 0.00 -1.84 0.00 0.00 35.03 31.94 2h53 n LYS 117 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2h53 h VAL 118 N 4.31 0.51 -0.00 -0.18 2.07 -1.94 0.58 116.25 121.59 2h53 h VAL 118 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2h53 h VAL 118 Cb 0.42 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2h53 h VAL 118 CO 1.67 0.00 -0.22 -0.62 0.02 0.00 0.00 177.57 178.42 2h53 n GLU 119 N -4.15 0.57 -0.33 1.57 4.71 -1.26 -3.89 120.64 117.86 2h53 n GLU 119 Ca 0.17 -0.27 0.08 0.00 -0.01 0.00 0.00 57.16 57.13 2h53 n GLU 119 Cb 0.92 -1.49 0.21 0.00 -1.01 0.00 0.00 31.44 30.07 2h53 n GLU 119 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2h53 n GLU 120 N -0.98 2.66 -2.46 3.49 1.02 0.20 -5.01 120.64 119.56 2h53 n GLU 120 Ca 0.12 -2.62 -0.42 0.00 -0.02 0.00 0.00 57.16 54.21 2h53 n GLU 120 Cb 0.32 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 2h53 n GLU 120 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2h53 s VAL 121 N -2.48 4.21 0.22 2.62 1.01 -1.16 -4.49 120.40 120.33 2h53 s VAL 121 Ca 0.36 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.98 2h53 s VAL 121 Cb 0.28 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2h53 s VAL 121 CO 0.09 0.07 0.08 -0.54 0.00 0.00 0.00 175.10 174.80 2h53 s LYS 122 N 1.54 2.62 -0.11 2.72 3.01 -0.80 -4.94 119.74 123.79 2h53 s LYS 122 Ca 0.57 -1.14 -0.04 0.00 -1.01 0.00 0.00 55.97 54.35 2h53 s LYS 122 Cb -0.27 -2.41 0.06 0.00 -1.01 0.00 0.00 37.83 34.20 2h53 s LYS 122 CO 0.26 0.42 0.19 0.00 0.51 0.00 0.00 175.35 176.73 2h53 s ALA 123 N -2.03 -0.26 0.12 5.17 0.00 -1.26 -1.02 121.76 122.48 2h53 s ALA 123 Ca 0.31 0.62 0.11 0.00 0.00 0.00 0.00 51.96 53.00 2h53 s ALA 123 Cb -0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2h53 s ALA 123 CO 0.22 -0.64 -0.26 0.20 0.00 0.00 0.00 175.76 175.27 2h53 s GLY 124 N 2.33 1.57 -0.11 0.00 0.00 0.78 -4.96 107.32 106.92 2h53 s GLY 124 Ca 0.03 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 2h53 s GLY 124 CO -0.07 -1.41 -0.01 -2.27 0.00 0.00 0.00 173.10 169.34 2h53 s LEU 125 N -1.96 0.94 -0.17 0.66 2.96 -1.26 0.07 118.68 119.92 2h53 s LEU 125 Ca 0.14 -0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 2h53 s LEU 125 Cb -0.10 -0.61 0.05 0.00 0.50 0.00 0.00 46.19 46.03 2h53 s LEU 125 CO 0.06 -0.20 0.43 -0.70 -1.32 0.00 0.00 176.35 174.62 2h53 s GLU 126 N 1.86 0.48 -1.45 1.98 2.12 -0.75 -4.94 118.70 118.00 2h53 s GLU 126 Ca 0.03 0.67 -0.08 0.00 0.36 0.00 0.00 54.97 55.96 2h53 s GLU 126 Cb -0.14 0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.48 2h53 s GLU 126 CO -0.07 -0.09 0.79 0.09 -0.54 0.00 0.00 175.26 175.44 2h53 n ASN 127 N 3.26 -2.77 -0.06 -1.70 3.02 -1.26 -1.40 115.26 114.36 2h53 n ASN 127 Ca -0.16 -0.85 -0.01 0.00 -0.03 0.00 0.00 54.58 53.53 2h53 n ASN 127 Cb 0.57 -3.72 -0.00 0.00 -0.61 0.00 0.00 39.78 36.01 2h53 n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h53 n GLY 128 N -1.67 0.30 3.10 7.41 0.00 -1.26 -4.94 105.19 108.14 2h53 n GLY 128 Ca -0.12 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2h53 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h53 s VAL 129 N -1.52 1.74 -0.06 1.61 1.01 -0.49 0.96 120.40 123.65 2h53 s VAL 129 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 2h53 s VAL 129 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2h53 s VAL 129 CO 0.00 0.49 0.36 -0.22 0.00 0.00 0.00 175.10 175.72 2h53 s LEU 130 N 0.92 4.40 -0.10 3.92 2.96 0.63 -1.80 118.68 129.61 2h53 s LEU 130 Ca -0.07 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 2h53 s LEU 130 Cb -0.15 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.07 2h53 s LEU 130 CO -0.02 0.26 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.27 2h53 s THR 131 N -0.61 1.21 -0.14 3.68 2.01 0.11 -0.62 115.64 121.29 2h53 s THR 131 Ca 0.21 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.76 2h53 s THR 131 Cb -0.15 -1.15 -0.00 0.00 0.01 0.00 0.00 72.50 71.20 2h53 s THR 131 CO 0.10 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 2h53 s VAL 132 N 1.18 2.59 -0.33 3.82 1.01 0.30 -0.16 120.40 128.81 2h53 s VAL 132 Ca -0.04 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2h53 s VAL 132 Cb -0.14 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2h53 s VAL 132 CO -0.03 0.53 0.07 -0.89 0.00 0.00 0.00 175.10 174.78 2h53 s THR 133 N 0.67 3.52 -0.50 3.92 2.01 -0.19 -0.77 115.64 124.30 2h53 s THR 133 Ca -0.08 -1.22 -0.13 0.00 0.31 0.00 0.00 61.69 60.57 2h53 s THR 133 Cb -0.16 -3.00 0.12 0.00 0.01 0.00 0.00 72.50 69.47 2h53 s THR 133 CO 0.02 -0.16 0.42 -0.69 -0.69 0.00 0.00 174.62 173.52 2h53 s VAL 134 N 1.35 4.72 0.35 3.82 1.01 -0.09 -1.90 120.40 129.66 2h53 s VAL 134 Ca -0.03 -1.61 -0.28 0.00 0.00 0.00 0.00 61.98 60.07 2h53 s VAL 134 Cb -0.20 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 2h53 s VAL 134 CO 0.02 -0.80 1.26 -2.65 0.00 0.00 0.00 175.10 172.93 2h53 n PRO 135 N 5.08 2.05 0.00 2.72 -0.02 -1.26 -1.32 135.00 142.24 2h53 n PRO 135 Ca -0.11 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2h53 n PRO 135 Cb 0.41 -2.30 0.45 0.00 -0.02 0.00 0.00 33.50 32.04 2h53 n PRO 135 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11