#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pul s TRP 19 N 0.00 2.90 0.79 1.20 -2.14 -1.26 -5.03 118.94 115.41 1pul s TRP 19 Ca 0.00 1.43 -0.12 0.00 2.66 0.00 0.00 56.10 60.07 1pul s TRP 19 Cb 0.00 -3.64 0.07 0.00 -3.10 0.00 0.00 33.47 26.80 1pul s TRP 19 CO 0.00 -1.95 1.14 0.34 -2.66 0.00 0.00 176.95 173.82 1pul s ASP 20 N -0.72 4.62 0.30 -2.66 2.15 -1.26 -4.63 116.67 114.46 1pul s ASP 20 Ca 0.55 0.96 0.06 0.00 0.43 0.00 0.00 52.55 54.55 1pul s ASP 20 Cb -0.38 -1.58 0.74 0.00 -0.30 0.00 0.00 42.92 41.41 1pul s ASP 20 CO 0.49 -1.85 1.76 -0.78 -0.17 0.00 0.00 175.17 174.61 1pul h ASP 21 N -1.01 0.70 0.19 -0.34 3.58 -1.95 0.48 116.42 118.07 1pul h ASP 21 Ca -0.46 0.11 -0.32 0.00 0.42 0.00 0.00 57.03 56.77 1pul h ASP 21 Cb 1.30 -0.01 0.02 0.00 1.72 0.00 0.00 39.33 42.36 1pul h ASP 21 CO 0.64 0.22 -1.52 0.00 -2.88 0.00 0.00 179.24 175.70 1pul h ALA 22 N 1.66 0.03 -0.68 -0.78 0.00 -2.01 -3.37 119.26 114.11 1pul h ALA 22 Ca 0.58 -1.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1pul h ALA 22 Cb 0.94 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1pul h ALA 22 CO -0.41 0.82 0.13 0.22 0.00 0.00 0.00 179.25 180.01 1pul h ASP 23 N 0.00 1.05 -0.98 0.00 1.82 -1.68 0.12 116.42 116.76 1pul h ASP 23 Ca -0.29 -0.24 0.14 0.00 -0.39 0.00 0.00 57.03 56.25 1pul h ASP 23 Cb 2.02 -0.28 -0.09 0.00 0.68 0.00 0.00 39.33 41.67 1pul h ASP 23 CO 0.19 1.02 0.61 1.62 -1.61 0.00 0.00 179.24 181.08 1pul h VAL 24 N 1.04 0.85 0.02 2.25 3.04 -0.23 0.51 116.25 123.73 1pul h VAL 24 Ca 0.21 -0.30 -0.17 0.00 -1.01 0.00 0.00 66.70 65.43 1pul h VAL 24 Cb 0.41 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.58 1pul h VAL 24 CO 0.01 0.16 -0.93 0.11 -1.01 0.00 0.00 177.57 175.91 1pul h LYS 25 N 0.87 0.03 -0.91 4.17 1.79 -1.67 -3.37 116.57 117.49 1pul h LYS 25 Ca 0.50 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.92 1pul h LYS 25 Cb 0.64 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.26 1pul h LYS 25 CO -0.27 1.03 0.60 0.87 -1.08 0.00 0.00 179.45 180.60 1pul h LYS 26 N -0.90 1.19 -0.96 3.15 6.56 -0.43 0.19 116.57 125.37 1pul h LYS 26 Ca -0.24 -0.07 0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1pul h LYS 26 Cb 1.28 -0.27 -0.08 0.00 -0.57 0.00 0.00 32.23 32.59 1pul h LYS 26 CO -0.11 0.79 0.61 -0.09 -2.06 0.00 0.00 179.45 178.58 1pul h ARG 27 N 1.23 0.74 0.01 3.15 2.43 -0.18 0.65 114.38 122.41 1pul h ARG 27 Ca 0.33 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 1pul h ARG 27 Cb -0.14 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1pul h ARG 27 CO -0.07 0.49 -0.58 -1.49 -1.51 0.00 0.00 179.97 176.80 1pul h TRP 28 N 0.76 0.56 -0.31 2.20 6.55 -1.17 -3.35 115.95 121.20 1pul h TRP 28 Ca 0.50 -0.32 -0.02 0.00 0.95 0.00 0.00 58.89 60.01 1pul h TRP 28 Cb 0.77 -0.06 -0.01 0.00 -0.86 0.00 0.00 29.16 28.99 1pul h TRP 28 CO -0.00 1.14 0.12 -0.44 -1.05 0.00 0.00 178.44 178.21 1pul h ASP 29 N -0.17 0.43 0.46 -3.49 3.32 0.39 -2.97 116.42 114.38 1pul h ASP 29 Ca -0.08 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1pul h ASP 29 Cb 1.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1pul h ASP 29 CO 0.11 0.49 -0.33 0.00 -1.72 0.00 0.00 179.24 177.79 1pul h ALA 30 N 0.97 -0.78 0.00 3.45 0.00 0.12 0.40 119.26 123.41 1pul h ALA 30 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pul h ALA 30 Cb 0.19 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pul h ALA 30 CO -0.01 -0.96 -0.01 0.74 0.00 0.00 0.00 179.25 179.01 1pul h PHE 31 N -0.77 0.00 -0.07 0.00 -1.00 -1.69 -1.02 116.94 112.39 1pul h PHE 31 Ca -0.05 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.57 1pul h PHE 31 Cb 0.65 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.22 1pul h PHE 31 CO -0.14 0.01 -0.59 1.15 -1.61 0.00 0.00 178.31 177.13 1pul h THR 32 N 0.00 1.37 -0.78 -1.55 2.02 -1.15 0.18 112.91 113.00 1pul h THR 32 Ca -0.00 -1.93 -0.05 0.00 0.77 0.00 0.00 66.41 65.20 1pul h THR 32 Cb 0.02 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1pul h THR 32 CO 0.00 0.58 0.30 0.50 0.37 0.00 0.00 175.52 177.27 1pul h LYS 33 N 0.12 1.18 0.07 6.66 3.64 0.95 -3.14 116.57 126.05 1pul h LYS 33 Ca -0.05 -0.22 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 1pul h LYS 33 Cb 1.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1pul h LYS 33 CO 0.12 0.96 -0.77 0.74 -2.27 0.00 0.00 179.45 178.24 1pul h PHE 34 N 1.14 0.26 -0.04 1.91 0.04 -1.32 -3.49 116.94 115.44 1pul h PHE 34 Ca 0.26 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1pul h PHE 34 Cb 0.24 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1pul h PHE 34 CO 0.02 1.30 0.00 0.41 -0.60 0.00 0.00 178.31 179.44 1pul n GLY 35 N 1.63 0.91 3.51 -1.45 0.00 0.51 -5.07 105.19 105.24 1pul n GLY 35 Ca -0.18 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1pul n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pul s ALA 36 N -1.87 3.32 -0.18 4.61 0.00 -0.46 -4.86 121.76 122.33 1pul s ALA 36 Ca 0.00 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.82 1pul s ALA 36 Cb 0.00 -3.40 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 1pul s ALA 36 CO 0.00 -1.92 0.30 0.00 0.00 0.00 0.00 175.76 174.14 1pul n ALA 37 N 6.49 2.72 -2.22 0.00 0.00 -1.26 -4.52 120.51 121.71 1pul n ALA 37 Ca -0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 1pul n ALA 37 Cb 0.48 -0.37 0.02 0.00 0.00 0.00 0.00 19.45 19.58 1pul n ALA 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pul n THR 38 N -1.65 2.73 -3.75 0.00 -1.04 -1.26 -4.48 114.28 104.82 1pul n THR 38 Ca -0.01 -4.57 -0.13 0.00 -2.04 0.00 0.00 64.05 57.31 1pul n THR 38 Cb 0.24 -1.24 -0.14 0.00 -1.82 0.00 0.00 70.33 67.37 1pul n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pul s ALA 39 N -3.68 -0.41 -1.03 2.41 0.00 -1.26 -4.89 121.76 112.91 1pul s ALA 39 Ca 0.50 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1pul s ALA 39 Cb 0.42 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1pul s ALA 39 CO -0.19 -0.16 0.79 2.41 0.00 0.00 0.00 175.76 178.61 1pul n THR 40 N 3.99 -2.05 -2.06 0.00 -1.04 -1.26 -4.59 114.28 107.26 1pul n THR 40 Ca -0.24 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.36 1pul n THR 40 Cb 0.53 -3.23 -0.03 0.00 -1.82 0.00 0.00 70.33 65.78 1pul n THR 40 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1pul s GLU 41 N -5.85 3.20 0.33 -2.82 1.03 -1.26 -4.58 118.70 108.74 1pul s GLU 41 Ca 0.39 1.15 -0.16 0.00 0.03 0.00 0.00 54.97 56.38 1pul s GLU 41 Cb -0.17 -4.22 -0.09 0.00 -0.80 0.00 0.00 34.13 28.85 1pul s GLU 41 CO 0.48 -2.03 0.75 1.41 -1.33 0.00 0.00 175.26 174.55 1pul s MET 42 N 5.89 4.03 0.39 -4.83 1.75 -0.00 -4.71 119.30 121.81 1pul s MET 42 Ca 0.74 0.71 -0.10 0.00 -1.25 0.00 0.00 55.69 55.79 1pul s MET 42 Cb -0.19 -2.41 -0.06 0.00 2.84 0.00 0.00 34.83 35.01 1pul s MET 42 CO 0.30 0.14 0.74 0.95 -0.65 0.00 0.00 175.02 176.50 1pul s THR 43 N -2.00 4.82 0.38 10.11 -4.23 -1.26 -0.34 115.64 123.12 1pul s THR 43 Ca 0.55 0.53 0.10 0.00 -1.18 0.00 0.00 61.69 61.69 1pul s THR 43 Cb -0.10 -3.73 0.32 0.00 1.34 0.00 0.00 72.50 70.33 1pul s THR 43 CO 0.17 -0.50 1.90 1.23 -0.54 0.00 0.00 174.62 176.89 1pul h GLY 44 N 1.30 1.01 0.92 3.99 0.00 -1.35 0.67 103.07 109.60 1pul h GLY 44 Ca -0.47 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.59 1pul h GLY 44 CO 0.64 0.11 0.03 1.70 0.00 0.00 0.00 176.54 179.02 1pul h LYS 45 N 0.63 0.07 -0.05 4.80 3.64 -1.94 0.81 116.57 124.53 1pul h LYS 45 Ca 0.39 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.62 1pul h LYS 45 Cb 0.64 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1pul h LYS 45 CO -0.16 0.13 -0.61 -0.91 -2.27 0.00 0.00 179.45 175.63 1pul h ASN 46 N -0.02 0.22 -0.17 4.20 2.35 -1.78 -2.34 115.58 118.05 1pul h ASN 46 Ca 0.02 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1pul h ASN 46 Cb 0.09 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1pul h ASN 46 CO -0.00 0.78 -0.08 0.15 -1.65 0.00 0.00 177.43 176.63 1pul h PHE 47 N 0.14 0.41 -0.59 1.19 3.57 -0.68 -0.11 116.94 120.88 1pul h PHE 47 Ca -0.01 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 1pul h PHE 47 Cb 1.12 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1pul h PHE 47 CO 0.02 0.66 0.35 0.22 -2.23 0.00 0.00 178.31 177.33 1pul h ASP 48 N 0.03 0.70 0.06 0.41 1.82 -0.82 0.67 116.42 119.29 1pul h ASP 48 Ca 0.04 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1pul h ASP 48 Cb 0.56 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1pul h ASP 48 CO 0.02 0.54 -0.03 0.50 -1.61 0.00 0.00 179.24 178.66 1pul h LYS 49 N 0.81 -0.08 -0.87 0.28 1.63 -1.23 -0.10 116.57 117.01 1pul h LYS 49 Ca 0.21 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.06 1pul h LYS 49 Cb -0.03 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 1pul h LYS 49 CO -0.04 0.43 0.57 2.35 -3.45 0.00 0.00 179.45 179.31 1pul h TRP 50 N -0.64 1.02 -0.01 1.91 2.91 -0.88 -2.48 115.95 117.78 1pul h TRP 50 Ca -0.01 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.82 1pul h TRP 50 Cb 0.54 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1pul h TRP 50 CO 0.10 0.57 -0.92 -0.07 -1.03 0.00 0.00 178.44 177.09 1pul h LEU 51 N 1.04 0.54 -0.95 0.65 -0.00 -0.74 -2.50 115.31 113.35 1pul h LEU 51 Ca 0.36 -0.42 -0.08 0.00 -0.00 0.00 0.00 57.88 57.73 1pul h LEU 51 Cb 0.10 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 1pul h LEU 51 CO -0.12 1.22 -0.10 0.50 -0.00 0.00 0.00 178.44 179.94 1pul h LYS 52 N 0.24 0.65 0.00 1.13 3.64 -0.74 -2.14 116.57 119.35 1pul h LYS 52 Ca -0.07 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 59.00 1pul h LYS 52 Cb 1.55 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 1pul h LYS 52 CO 0.16 0.74 -0.52 -0.44 -2.27 0.00 0.00 179.45 177.12 1pul h ASP 53 N 0.60 0.00 0.58 4.20 3.32 -1.41 -3.01 116.42 120.70 1pul h ASP 53 Ca 0.11 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1pul h ASP 53 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1pul h ASP 53 CO 0.03 0.52 -0.55 0.00 -1.72 0.00 0.00 179.24 177.53 1pul h ALA 54 N 1.48 1.07 0.00 3.45 0.00 -0.96 -3.47 119.26 120.83 1pul h ALA 54 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1pul h ALA 54 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pul h ALA 54 CO 0.07 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1pul n GLY 55 N 0.09 0.76 0.11 0.00 0.00 -0.86 -4.84 105.19 100.46 1pul n GLY 55 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1pul n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pul n VAL 56 N -2.27 1.69 -4.40 1.61 0.31 -1.17 -4.93 118.33 109.17 1pul n VAL 56 Ca 0.00 -0.72 -0.28 0.00 -0.01 0.00 0.00 64.34 63.33 1pul n VAL 56 Cb 0.00 -1.40 -0.13 0.00 -0.91 0.00 0.00 33.84 31.41 1pul n VAL 56 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1pul s LEU 57 N -6.58 2.36 0.00 7.52 2.96 -1.09 -5.04 118.68 118.81 1pul s LEU 57 Ca -0.15 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 1pul s LEU 57 Cb 0.07 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.56 1pul s LEU 57 CO 0.79 0.16 0.00 -0.67 -1.32 0.00 0.00 176.35 175.31 1pul n ASP 58 N 0.69 0.00 0.00 3.68 2.03 -1.26 -3.47 116.55 118.22 1pul n ASP 58 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1pul n ASP 58 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1pul n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1pul n ASN 59 N 0.00 0.00 -0.13 1.67 2.85 -1.26 -4.74 115.26 113.65 1pul n ASN 59 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 1pul n ASN 59 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 1pul n ASN 59 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1pul n LYS 60 N 0.00 0.55 -0.16 1.20 0.00 -1.26 -4.51 118.16 113.98 1pul n LYS 60 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 58.31 58.51 1pul n LYS 60 Cb 0.00 -1.41 0.18 0.00 0.00 0.00 0.00 35.03 33.79 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pul h ALA 61 N -0.83 1.20 -2.42 3.14 0.00 -2.01 -3.42 119.26 114.92 1pul h ALA 61 Ca -0.64 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.54 1pul h ALA 61 Cb 1.59 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1pul h ALA 61 CO -0.36 0.56 0.90 0.42 0.00 0.00 0.00 179.25 180.76 1pul s ILE 62 N -5.29 3.39 0.33 0.00 -1.09 -1.26 -4.94 121.20 112.34 1pul s ILE 62 Ca -0.10 0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 58.85 1pul s ILE 62 Cb 0.16 -3.52 -0.11 0.00 -1.58 0.00 0.00 42.46 37.41 1pul s ILE 62 CO 0.81 0.00 1.42 -0.89 -1.23 0.00 0.00 174.94 175.05 1pul s THR 63 N 2.43 2.39 0.31 2.92 2.01 -1.26 -4.81 115.64 119.62 1pul s THR 63 Ca 0.68 0.37 -0.01 0.00 0.31 0.00 0.00 61.69 63.05 1pul s THR 63 Cb -0.35 -3.24 0.26 0.00 0.01 0.00 0.00 72.50 69.18 1pul s THR 63 CO 0.29 0.08 1.97 1.23 -0.69 0.00 0.00 174.62 177.50 1pul h GLY 64 N 3.64 1.14 0.99 4.40 0.00 -1.92 -0.07 103.07 111.25 1pul h GLY 64 Ca -0.49 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1pul h GLY 64 CO 0.68 0.40 -0.08 -0.84 0.00 0.00 0.00 176.54 176.69 1pul h THR 65 N 1.07 0.83 0.19 4.70 2.02 -1.98 0.40 112.91 120.13 1pul h THR 65 Ca 0.30 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1pul h THR 65 Cb -0.08 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1pul h THR 65 CO -0.07 0.01 -0.14 -0.03 0.37 0.00 0.00 175.52 175.65 1pul h MET 66 N -0.25 -0.32 -0.34 6.66 -1.53 -1.76 -1.35 114.93 116.04 1pul h MET 66 Ca -0.02 0.02 -0.11 0.00 -3.44 0.00 0.00 59.70 56.14 1pul h MET 66 Cb 0.19 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 1pul h MET 66 CO 0.04 -0.22 -0.26 0.00 0.14 0.00 0.00 176.91 176.62 1pul h THR 67 N -0.34 1.27 -0.50 -0.77 1.03 -1.06 -2.34 112.91 110.21 1pul h THR 67 Ca -0.01 -1.35 -0.02 0.00 -0.01 0.00 0.00 66.41 65.02 1pul h THR 67 Cb 0.30 1.29 -0.02 0.00 -1.07 0.00 0.00 68.15 68.65 1pul h THR 67 CO -0.01 0.44 0.24 1.23 -0.01 0.00 0.00 175.52 177.42 1pul h GLY 68 N 0.99 0.76 1.23 2.99 0.00 -0.65 -1.11 103.07 107.29 1pul h GLY 68 Ca 0.08 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1pul h GLY 68 CO 0.06 0.36 0.09 -2.22 0.00 0.00 0.00 176.54 174.83 1pul h ILE 69 N 0.66 1.25 0.11 2.60 2.04 -1.15 -1.06 117.51 121.95 1pul h ILE 69 Ca 0.17 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.08 1pul h ILE 69 Cb 0.11 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1pul h ILE 69 CO -0.02 0.35 -0.17 0.00 0.00 0.00 0.00 178.15 178.32 1pul h ALA 70 N 1.20 -0.29 -0.69 1.87 0.00 -0.99 0.49 119.26 120.86 1pul h ALA 70 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1pul h ALA 70 Cb 0.39 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1pul h ALA 70 CO 0.01 -0.69 0.41 0.74 0.00 0.00 0.00 179.25 179.72 1pul h PHE 71 N -0.33 0.77 0.00 0.00 0.04 -0.99 0.89 116.94 117.31 1pul h PHE 71 Ca 0.02 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1pul h PHE 71 Cb 0.34 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1pul h PHE 71 CO -0.17 0.41 -0.17 0.77 -0.60 0.00 0.00 178.31 178.56 1pul h SER 72 N 0.79 0.00 0.42 2.17 0.02 -0.82 0.19 113.55 116.32 1pul h SER 72 Ca 0.29 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.93 1pul h SER 72 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1pul h SER 72 CO -0.14 0.17 -1.57 0.50 -1.14 0.00 0.00 176.83 174.65 1pul h LYS 73 N 0.00 0.26 -0.37 3.45 1.63 0.41 -3.36 116.57 118.58 1pul h LYS 73 Ca -0.00 -0.44 -0.07 0.00 -0.85 0.00 0.00 60.65 59.29 1pul h LYS 73 Cb 0.34 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1pul h LYS 73 CO 0.02 1.12 -0.04 -0.39 -3.45 0.00 0.00 179.45 176.71 1pul h VAL 74 N 0.07 1.27 0.00 2.00 -1.51 -0.70 -3.46 116.25 113.92 1pul h VAL 74 Ca -0.26 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 1pul h VAL 74 Cb 2.02 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1pul h VAL 74 CO 0.16 0.35 0.00 1.07 -1.23 0.00 0.00 177.57 177.92 1pul n THR 75 N -4.44 0.00 0.00 7.19 5.66 -1.05 -4.14 114.28 117.50 1pul n THR 75 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1pul n THR 75 Cb 0.31 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1pul n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pul n GLY 76 N 0.00 2.07 3.74 1.09 0.00 0.65 -4.97 105.19 107.76 1pul n GLY 76 Ca 0.00 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1pul n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pul s PRO 77 N 0.00 4.54 0.11 1.61 0.04 -1.26 -4.37 135.00 135.67 1pul s PRO 77 Ca 0.00 1.16 0.15 0.00 0.04 0.00 0.00 61.00 62.35 1pul s PRO 77 Cb 0.00 -3.38 0.68 0.00 0.04 0.00 0.00 34.50 31.84 1pul s PRO 77 CO 0.00 0.24 1.48 0.36 0.04 0.00 0.00 177.00 179.11 1pul n LYS 78 N 2.92 0.07 -0.21 4.56 2.85 -1.26 -3.02 118.16 124.07 1pul n LYS 78 Ca -0.01 0.39 0.14 0.00 -1.05 0.00 0.00 58.31 57.78 1pul n LYS 78 Cb 0.50 -1.66 0.45 0.00 -0.65 0.00 0.00 35.03 33.67 1pul n LYS 78 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1pul h LYS 79 N 0.00 0.52 -4.60 -1.58 3.64 -1.92 -0.90 116.57 111.73 1pul h LYS 79 Ca 0.00 -0.03 -0.67 0.00 -1.27 0.00 0.00 60.65 58.68 1pul h LYS 79 Cb 0.21 -0.12 -0.39 0.00 -0.41 0.00 0.00 32.23 31.52 1pul h LYS 79 CO 0.00 0.35 -0.68 0.21 -2.27 0.00 0.00 179.45 177.06 1pul s LYS 80 N -5.53 1.62 -0.72 1.90 2.20 -1.17 -3.99 119.74 114.06 1pul s LYS 80 Ca -0.09 -1.89 -0.02 0.00 -0.36 0.00 0.00 55.97 53.61 1pul s LYS 80 Cb 0.21 -3.30 0.18 0.00 -1.51 0.00 0.00 37.83 33.41 1pul s LYS 80 CO 0.78 -0.98 0.55 0.00 -0.36 0.00 0.00 175.35 175.34 1pul s ALA 81 N 0.91 3.81 0.00 3.13 0.00 0.53 -4.90 121.76 125.25 1pul s ALA 81 Ca 0.11 -3.51 0.00 0.00 0.00 0.00 0.00 51.96 48.55 1pul s ALA 81 Cb -0.20 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1pul s ALA 81 CO -0.07 -2.12 0.00 -2.37 0.00 0.00 0.00 175.76 171.20 1pul n THR 82 N 2.95 0.00 0.00 0.00 5.66 -1.26 -0.82 114.28 120.80 1pul n THR 82 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1pul n THR 82 Cb 0.37 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 1pul n THR 82 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1pul n PHE 83 N 0.00 0.00 0.14 1.09 7.35 -1.26 0.04 117.46 124.82 1pul n PHE 83 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1pul n PHE 83 Cb 0.00 -0.41 0.27 0.00 0.35 0.00 0.00 39.48 39.69 1pul n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1pul h ASP 84 N 0.00 0.09 0.89 -2.13 3.32 -1.90 -2.86 116.42 113.83 1pul h ASP 84 Ca 0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1pul h ASP 84 Cb 0.00 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.53 1pul h ASP 84 CO 0.00 0.52 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.54 1pul h GLU 85 N 0.07 -1.15 -0.14 3.56 4.22 -1.42 -2.31 114.58 117.40 1pul h GLU 85 Ca 0.00 0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.49 1pul h GLU 85 Cb 0.82 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1pul h GLU 85 CO 0.06 -0.76 -0.08 1.15 -2.18 0.00 0.00 179.01 177.20 1pul h THR 86 N -1.26 1.14 -0.30 0.32 2.02 -0.38 0.13 112.91 114.58 1pul h THR 86 Ca -0.12 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1pul h THR 86 Cb 0.92 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1pul h THR 86 CO 0.20 0.19 -0.04 0.11 0.37 0.00 0.00 175.52 176.35 1pul h LYS 87 N 0.20 0.48 -0.16 6.66 1.57 -1.46 -1.88 116.57 121.98 1pul h LYS 87 Ca 0.04 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 1pul h LYS 87 Cb 0.27 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1pul h LYS 87 CO 0.01 0.54 -0.61 0.87 -0.57 0.00 0.00 179.45 179.70 1pul h LYS 88 N 0.46 0.70 0.79 3.15 1.79 -0.21 -2.44 116.57 120.80 1pul h LYS 88 Ca 0.10 -0.53 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 1pul h LYS 88 Cb 0.37 0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1pul h LYS 88 CO 0.02 1.15 -0.40 0.28 -1.08 0.00 0.00 179.45 179.42 1pul h VAL 89 N 0.39 0.19 -0.94 0.50 2.07 -0.94 0.30 116.25 117.83 1pul h VAL 89 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1pul h VAL 89 Cb 1.23 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1pul h VAL 89 CO 0.13 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.27 1pul h LEU 90 N -1.08 1.06 -0.10 2.57 3.38 -1.46 -0.92 115.31 118.77 1pul h LEU 90 Ca -0.11 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1pul h LEU 90 Cb 0.84 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pul h LEU 90 CO 0.17 0.76 -0.35 0.00 0.09 0.00 0.00 178.44 179.11 1pul h ALA 91 N 1.42 0.18 -0.20 1.53 0.00 -1.31 -2.65 119.26 118.23 1pul h ALA 91 Ca 0.36 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1pul h ALA 91 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1pul h ALA 91 CO -0.09 0.24 -0.03 0.35 0.00 0.00 0.00 179.25 179.72 1pul h PHE 92 N -0.03 0.42 -0.49 0.00 3.57 -0.13 0.87 116.94 121.15 1pul h PHE 92 Ca -0.01 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1pul h PHE 92 Cb 0.98 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1pul h PHE 92 CO 0.12 0.61 0.28 0.28 -2.23 0.00 0.00 178.31 177.36 1pul h VAL 93 N 0.11 1.16 -0.45 1.41 2.07 -1.27 0.23 116.25 119.51 1pul h VAL 93 Ca 0.05 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1pul h VAL 93 Cb 0.46 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1pul h VAL 93 CO 0.02 0.17 0.29 0.00 0.02 0.00 0.00 177.57 178.06 1pul h ALA 94 N 1.13 0.58 0.19 1.67 0.00 -1.39 -0.86 119.26 120.57 1pul h ALA 94 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1pul h ALA 94 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1pul h ALA 94 CO -0.03 -0.00 -0.23 1.49 0.00 0.00 0.00 179.25 180.48 1pul h GLU 95 N 0.59 -0.46 -0.38 0.00 4.81 -0.17 -0.30 114.58 118.68 1pul h GLU 95 Ca 0.17 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1pul h GLU 95 Cb -0.04 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1pul h GLU 95 CO -0.05 -0.30 -0.01 0.22 -0.73 0.00 0.00 179.01 178.13 1pul h ASP 96 N -0.47 0.58 0.81 1.04 3.58 -0.41 0.11 116.42 121.66 1pul h ASP 96 Ca 0.01 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.20 1pul h ASP 96 Cb 0.46 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1pul h ASP 96 CO -0.08 0.66 -0.62 -0.09 -2.88 0.00 0.00 179.24 176.23 1pul h ARG 97 N 0.58 0.00 0.00 0.28 2.43 -1.02 -3.34 114.38 113.31 1pul h ARG 97 Ca 0.12 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1pul h ARG 97 Cb 0.39 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1pul h ARG 97 CO 0.02 0.62 -0.33 0.00 -1.51 0.00 0.00 179.97 178.76 1pul h ALA 98 N 1.38 0.05 -0.08 2.80 0.00 -0.04 -3.24 119.26 120.13 1pul h ALA 98 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1pul h ALA 98 Cb 1.19 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1pul h ALA 98 CO 0.08 0.23 0.12 0.07 0.00 0.00 0.00 179.25 179.75 1pul h ARG 99 N -1.00 0.00 0.00 0.00 -0.00 -0.96 0.53 114.38 112.95 1pul h ARG 99 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 1pul h ARG 99 Cb 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.62 1pul h ARG 99 CO -0.04 0.00 -0.08 1.96 -0.00 0.00 0.00 179.97 181.81 1pul h GLN 100 N 0.00 0.00 0.00 0.08 4.20 -1.73 -3.41 115.11 114.26 1pul h GLN 100 Ca 0.04 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.32 1pul h GLN 100 Cb 0.28 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1pul h GLN 100 CO -0.00 0.78 -2.43 0.45 -0.67 0.00 0.00 178.83 176.96 1pul n SER 101 N -4.64 1.81 -0.03 1.46 2.88 -0.65 -4.78 113.62 109.67 1pul n SER 101 Ca -0.09 0.30 -0.16 0.00 -1.33 0.00 0.00 58.87 57.59 1pul n SER 101 Cb 0.39 -0.74 -0.14 0.00 -0.75 0.00 0.00 64.21 62.97 1pul n SER 101 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1pul n LYS 102 N -4.12 0.70 0.00 -1.46 3.00 0.12 -5.04 118.16 111.36 1pul n LYS 102 Ca -0.50 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 1pul n LYS 102 Cb 0.86 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1pul n LYS 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pul n LYS 103 N -3.24 0.00 -2.58 1.64 4.76 0.14 -4.99 118.16 113.89 1pul n LYS 103 Ca -0.30 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.72 1pul n LYS 103 Cb 1.05 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 34.22 1pul n LYS 103 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1pul s PRO 104 N 0.00 4.33 0.26 1.97 0.02 -1.26 -4.01 135.00 136.30 1pul s PRO 104 Ca 0.00 1.49 -0.04 0.00 0.02 0.00 0.00 61.00 62.47 1pul s PRO 104 Cb 0.00 -3.61 0.31 0.00 0.02 0.00 0.00 34.50 31.22 1pul s PRO 104 CO 0.00 -0.51 1.83 -0.84 -0.33 0.00 0.00 177.00 177.15 1pul h ILE 105 N 5.25 1.24 -0.87 2.83 -0.00 -1.89 -2.64 117.51 121.43 1pul h ILE 105 Ca -0.27 -0.75 0.05 0.00 -0.00 0.00 0.00 64.86 63.88 1pul h ILE 105 Cb 1.12 0.42 -0.05 0.00 -0.00 0.00 0.00 36.82 38.31 1pul h ILE 105 CO 0.92 0.30 0.57 -0.61 -0.00 0.00 0.00 178.15 179.33 1pul h GLN 106 N 0.99 1.00 -0.56 0.16 -0.00 -1.92 -0.92 115.11 113.87 1pul h GLN 106 Ca 0.23 -0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.83 1pul h GLN 106 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 27.48 27.42 1pul h GLN 106 CO -0.02 0.66 0.36 0.22 0.00 0.00 0.00 178.83 180.06 1pul h ASP 107 N 1.03 0.62 0.05 -0.69 1.82 -1.88 0.51 116.42 117.89 1pul h ASP 107 Ca 0.36 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.82 1pul h ASP 107 Cb 0.11 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1pul h ASP 107 CO -0.12 0.45 -0.57 -0.33 -1.61 0.00 0.00 179.24 177.06 1pul h GLU 108 N 0.74 0.54 -0.71 0.28 4.39 -1.40 -2.64 114.58 115.77 1pul h GLU 108 Ca 0.21 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 1pul h GLU 108 Cb -0.06 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1pul h GLU 108 CO -0.06 0.96 0.18 1.25 -1.16 0.00 0.00 179.01 180.18 1pul h LEU 109 N 0.41 1.06 -0.72 1.33 5.85 -0.68 -0.64 115.31 121.92 1pul h LEU 109 Ca 0.00 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1pul h LEU 109 Cb 1.11 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1pul h LEU 109 CO 0.11 1.01 0.45 -0.78 -0.34 0.00 0.00 178.44 178.89 1pul h ASP 110 N 1.07 0.73 -0.80 1.25 3.58 -0.77 0.36 116.42 121.84 1pul h ASP 110 Ca 0.22 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1pul h ASP 110 Cb 0.36 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 1pul h ASP 110 CO 0.00 0.50 0.39 0.00 -2.88 0.00 0.00 179.24 177.25 1pul h ALA 111 N 1.32 1.03 -0.07 -0.78 0.00 -1.07 0.21 119.26 119.89 1pul h ALA 111 Ca 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pul h ALA 111 Cb 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1pul h ALA 111 CO -0.12 0.58 0.03 0.82 0.00 0.00 0.00 179.25 180.56 1pul h ILE 112 N 1.13 1.14 -0.90 0.00 2.04 -0.24 0.81 117.51 121.49 1pul h ILE 112 Ca 0.27 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1pul h ILE 112 Cb 0.11 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1pul h ILE 112 CO -0.04 0.12 0.59 0.74 0.00 0.00 0.00 178.15 179.56 1pul h THR 113 N -0.04 1.16 -0.75 -0.27 2.02 -0.01 -1.22 112.91 113.80 1pul h THR 113 Ca 0.02 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1pul h THR 113 Cb 0.17 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 1pul h THR 113 CO -0.00 0.21 0.30 -0.08 0.37 0.00 0.00 175.52 176.32 1pul h GLU 114 N 1.15 1.13 -0.61 6.66 4.81 -0.40 -2.95 114.58 124.36 1pul h GLU 114 Ca 0.35 -0.21 0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1pul h GLU 114 Cb -0.02 -0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.08 1pul h GLU 114 CO -0.11 0.92 0.03 -0.22 -0.73 0.00 0.00 179.01 178.90 1pul h LYS 115 N 1.09 0.14 -0.80 1.92 1.63 0.40 0.18 116.57 121.13 1pul h LYS 115 Ca 0.25 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1pul h LYS 115 Cb 0.22 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 1pul h LYS 115 CO -0.02 0.10 0.32 -0.07 -3.45 0.00 0.00 179.45 176.33 1pul h LEU 116 N 0.15 1.10 -1.16 5.20 -0.00 -1.36 -1.97 115.31 117.27 1pul h LEU 116 Ca 0.32 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1pul h LEU 116 Cb 0.51 -0.29 -0.04 0.00 -0.00 0.00 0.00 40.66 40.84 1pul h LEU 116 CO -0.49 0.98 0.50 0.00 -0.00 0.00 0.00 178.44 179.42 1pul h ALA 117 N 1.18 1.38 0.00 1.53 0.00 -0.87 0.52 119.26 123.00 1pul h ALA 117 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pul h ALA 117 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pul h ALA 117 CO -0.02 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.65 1pul h LYS 118 N 1.09 0.00 -0.94 0.00 1.57 -0.03 -2.73 116.57 115.53 1pul h LYS 118 Ca 0.29 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.88 1pul h LYS 118 Cb -0.08 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.12 1pul h LYS 118 CO -0.06 0.00 0.24 1.28 -0.57 0.00 0.00 179.45 180.34 1pul n LEU 119 N -2.38 4.46 0.00 2.94 4.77 0.18 -5.08 117.00 121.88 1pul n LEU 119 Ca 0.02 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1pul n LEU 119 Cb 0.23 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1pul n LEU 119 CO 0.20 0.68 0.00 -0.62 -1.33 0.00 0.00 177.39 176.32