#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pul n TRP 19 N 0.00 -2.35 -4.09 1.20 2.14 -1.26 -5.07 117.44 108.00 1pul n TRP 19 Ca 0.00 -2.02 -0.10 0.00 2.07 0.00 0.00 57.50 57.45 1pul n TRP 19 Cb 0.00 -0.54 -0.09 0.00 -0.81 0.00 0.00 31.31 29.87 1pul n TRP 19 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1pul s ASP 20 N -4.49 0.19 0.26 -0.67 2.15 -1.26 -4.64 116.67 108.21 1pul s ASP 20 Ca 0.59 -1.11 -0.06 0.00 0.43 0.00 0.00 52.55 52.39 1pul s ASP 20 Cb -0.05 0.36 0.48 0.00 -0.30 0.00 0.00 42.92 43.42 1pul s ASP 20 CO 0.38 -0.81 1.60 0.44 -0.17 0.00 0.00 175.17 176.61 1pul h ASP 21 N 2.71 -0.53 0.19 -0.34 5.19 -1.91 0.27 116.42 121.99 1pul h ASP 21 Ca -0.34 0.24 -0.35 0.00 -0.62 0.00 0.00 57.03 55.96 1pul h ASP 21 Cb 1.22 0.44 0.01 0.00 0.18 0.00 0.00 39.33 41.18 1pul h ASP 21 CO 0.54 -0.25 -1.72 0.00 -3.12 0.00 0.00 179.24 174.68 1pul h ALA 22 N 1.82 0.14 -0.96 3.45 0.00 -1.98 -3.38 119.26 118.35 1pul h ALA 22 Ca 0.45 -1.13 0.10 0.00 0.00 0.00 0.00 54.91 54.33 1pul h ALA 22 Cb 0.80 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1pul h ALA 22 CO -0.80 0.99 0.62 0.22 0.00 0.00 0.00 179.25 180.28 1pul h ASP 23 N 0.08 0.91 -0.00 0.00 3.58 -1.61 -0.30 116.42 119.09 1pul h ASP 23 Ca -0.34 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.17 1pul h ASP 23 Cb 2.08 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.93 1pul h ASP 23 CO 0.18 0.53 -0.22 0.58 -2.88 0.00 0.00 179.24 177.42 1pul h VAL 24 N 1.00 0.48 -0.52 2.25 2.07 -0.69 0.62 116.25 121.45 1pul h VAL 24 Ca 0.45 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.90 1pul h VAL 24 Cb 0.37 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1pul h VAL 24 CO -0.20 0.00 0.07 0.50 0.02 0.00 0.00 177.57 177.96 1pul h LYS 25 N -0.35 0.83 -0.07 1.57 1.63 -1.57 -2.79 116.57 115.82 1pul h LYS 25 Ca 0.06 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1pul h LYS 25 Cb 0.43 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 1pul h LYS 25 CO -0.20 0.78 -0.04 -0.22 -3.45 0.00 0.00 179.45 176.32 1pul h LYS 26 N 0.79 -0.03 -0.48 1.90 3.64 -0.48 -2.85 116.57 119.05 1pul h LYS 26 Ca 0.16 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1pul h LYS 26 Cb 0.37 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1pul h LYS 26 CO 0.01 -0.02 0.31 0.00 -2.27 0.00 0.00 179.45 177.47 1pul h ARG 27 N -0.03 0.61 -0.94 1.90 3.08 -0.64 0.20 114.38 118.55 1pul h ARG 27 Ca 0.04 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1pul h ARG 27 Cb 0.10 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 1pul h ARG 27 CO -0.09 0.40 0.60 -1.49 -1.07 0.00 0.00 179.97 178.31 1pul h TRP 28 N 0.63 1.10 0.11 3.04 4.06 -1.36 -2.83 115.95 120.71 1pul h TRP 28 Ca 0.18 0.03 -0.26 0.00 2.06 0.00 0.00 58.89 60.90 1pul h TRP 28 Cb -0.04 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 27.76 1pul h TRP 28 CO -0.05 0.56 -1.34 0.22 -3.56 0.00 0.00 178.44 174.27 1pul h ASP 29 N 1.07 0.38 -0.01 -3.49 3.58 -1.26 -3.38 116.42 113.31 1pul h ASP 29 Ca 0.41 -0.86 0.03 0.00 0.42 0.00 0.00 57.03 57.04 1pul h ASP 29 Cb 0.19 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 1pul h ASP 29 CO -0.18 1.59 -0.33 0.00 -2.88 0.00 0.00 179.24 177.43 1pul h ALA 30 N -0.04 -0.49 -0.33 -0.78 0.00 -0.47 -2.33 119.26 114.82 1pul h ALA 30 Ca -0.29 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1pul h ALA 30 Cb 1.73 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 1pul h ALA 30 CO 0.06 -0.85 0.22 0.74 0.00 0.00 0.00 179.25 179.42 1pul h PHE 31 N -0.48 0.33 -0.89 0.00 0.04 -1.61 0.32 116.94 114.65 1pul h PHE 31 Ca 0.06 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1pul h PHE 31 Cb 0.57 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1pul h PHE 31 CO -0.36 0.20 0.56 1.15 -0.60 0.00 0.00 178.31 179.25 1pul h THR 32 N 0.35 1.24 0.00 -1.55 2.02 -1.60 -3.37 112.91 110.00 1pul h THR 32 Ca 0.13 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1pul h THR 32 Cb 0.10 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1pul h THR 32 CO -0.03 0.25 0.00 0.29 0.37 0.00 0.00 175.52 176.40 1pul n LYS 33 N -4.37 0.00 -4.31 6.66 4.01 0.12 -5.01 118.16 115.25 1pul n LYS 33 Ca 0.10 0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.61 1pul n LYS 33 Cb 0.05 -0.19 -0.10 0.00 -0.51 0.00 0.00 35.03 34.28 1pul n LYS 33 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1pul s PHE 34 N -0.05 2.77 0.00 2.13 -0.71 0.91 -4.70 117.98 118.33 1pul s PHE 34 Ca 0.00 -0.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.76 1pul s PHE 34 Cb 0.00 -1.48 0.00 0.00 -1.21 0.00 0.00 43.02 40.33 1pul s PHE 34 CO 0.00 0.40 0.00 0.41 -1.34 0.00 0.00 175.22 174.69 1pul n GLY 35 N 0.96 2.88 0.75 1.99 0.00 -1.26 -3.83 105.19 106.68 1pul n GLY 35 Ca -0.14 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.24 1pul n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pul n ALA 36 N 0.00 2.74 -0.05 4.61 0.00 -1.26 -3.46 120.51 123.09 1pul n ALA 36 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 53.44 52.75 1pul n ALA 36 Cb 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1pul n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pul h ALA 37 N 3.09 -0.02 0.10 0.00 0.00 -1.88 -3.00 119.26 117.54 1pul h ALA 37 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 1pul h ALA 37 Cb 0.70 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1pul h ALA 37 CO 0.09 -0.06 -1.16 0.00 0.00 0.00 0.00 179.25 178.12 1pul h THR 38 N -0.94 1.43 -3.30 0.00 1.03 -2.01 -3.37 112.91 105.75 1pul h THR 38 Ca -0.00 -2.77 -0.68 0.00 -0.01 0.00 0.00 66.41 62.95 1pul h THR 38 Cb 0.74 2.75 -0.37 0.00 -1.07 0.00 0.00 68.15 70.20 1pul h THR 38 CO 0.00 0.82 -0.25 0.00 -0.01 0.00 0.00 175.52 176.08 1pul s ALA 39 N -2.89 4.04 -0.08 0.00 0.00 -1.22 -4.85 121.76 116.76 1pul s ALA 39 Ca -0.05 -3.75 0.18 0.00 0.00 0.00 0.00 51.96 48.34 1pul s ALA 39 Cb 0.07 -2.64 -0.27 0.00 0.00 0.00 0.00 23.12 20.28 1pul s ALA 39 CO 0.89 -2.13 0.30 -2.37 0.00 0.00 0.00 175.76 172.45 1pul n THR 40 N 2.43 0.42 -2.46 0.00 5.66 -1.13 -4.27 114.28 114.94 1pul n THR 40 Ca 0.19 -0.55 -0.41 0.00 -3.05 0.00 0.00 64.05 60.23 1pul n THR 40 Cb 0.37 -0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 68.97 1pul n THR 40 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1pul s GLU 41 N -3.02 3.15 -0.89 1.09 8.01 -1.26 -4.93 118.70 120.86 1pul s GLU 41 Ca -0.08 0.02 -0.14 0.00 0.01 0.00 0.00 54.97 54.78 1pul s GLU 41 Cb 0.10 -4.19 0.22 0.00 -4.31 0.00 0.00 34.13 25.95 1pul s GLU 41 CO 0.78 -2.17 0.87 1.41 0.01 0.00 0.00 175.26 176.16 1pul s MET 42 N 5.83 3.70 0.60 1.61 -2.45 -1.26 -5.05 119.30 122.29 1pul s MET 42 Ca 0.43 -2.49 -0.19 0.00 -1.25 0.00 0.00 55.69 52.18 1pul s MET 42 Cb -0.09 -4.51 -0.03 0.00 1.25 0.00 0.00 34.83 31.45 1pul s MET 42 CO 0.18 -1.35 1.29 0.99 1.05 0.00 0.00 175.02 177.18 1pul s THR 43 N 0.27 2.20 0.25 10.11 2.01 -1.25 -4.38 115.64 124.85 1pul s THR 43 Ca 0.22 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.30 1pul s THR 43 Cb -0.09 -3.06 0.24 0.00 0.01 0.00 0.00 72.50 69.60 1pul s THR 43 CO -0.09 -0.02 1.88 1.23 -0.69 0.00 0.00 174.62 176.93 1pul h GLY 44 N 0.89 1.38 2.00 4.40 0.00 -0.98 -0.39 103.07 110.38 1pul h GLY 44 Ca -0.51 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.37 1pul h GLY 44 CO 0.55 0.35 -0.01 1.70 0.00 0.00 0.00 176.54 179.13 1pul h LYS 45 N 1.13 0.00 -0.08 4.80 3.64 -1.88 0.18 116.57 124.36 1pul h LYS 45 Ca 0.39 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.70 1pul h LYS 45 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1pul h LYS 45 CO -0.14 0.01 -0.19 -0.97 -2.27 0.00 0.00 179.45 175.89 1pul h ASN 46 N 0.00 0.31 -0.43 4.20 -0.73 -1.47 -0.04 115.58 117.42 1pul h ASN 46 Ca -0.00 -0.58 -0.03 0.00 1.87 0.00 0.00 56.30 57.56 1pul h ASN 46 Cb 0.76 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.24 1pul h ASN 46 CO 0.00 0.83 0.15 0.15 -0.37 0.00 0.00 177.43 178.19 1pul h PHE 47 N -0.20 0.67 -0.87 0.67 3.57 -1.07 -0.39 116.94 119.32 1pul h PHE 47 Ca -0.00 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.54 1pul h PHE 47 Cb 0.79 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1pul h PHE 47 CO 0.11 0.60 0.51 0.22 -2.23 0.00 0.00 178.31 177.53 1pul h ASP 48 N 0.55 0.74 0.04 0.41 3.58 -0.62 -0.27 116.42 120.85 1pul h ASP 48 Ca 0.14 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 1pul h ASP 48 Cb 0.24 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.20 1pul h ASP 48 CO -0.01 0.41 -0.27 0.50 -2.88 0.00 0.00 179.24 177.00 1pul h LYS 49 N 0.85 0.11 -0.71 0.28 3.64 -0.78 -0.97 116.57 118.99 1pul h LYS 49 Ca 0.42 -0.17 0.13 0.00 -1.27 0.00 0.00 60.65 59.76 1pul h LYS 49 Cb 0.39 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 1pul h LYS 49 CO -0.25 1.05 0.48 2.35 -2.27 0.00 0.00 179.45 180.80 1pul h TRP 50 N -0.73 0.47 0.17 1.91 2.91 -0.99 0.30 115.95 119.98 1pul h TRP 50 Ca -0.04 0.01 -0.31 0.00 1.13 0.00 0.00 58.89 59.68 1pul h TRP 50 Cb 1.17 -0.15 0.01 0.00 -0.51 0.00 0.00 29.16 29.69 1pul h TRP 50 CO 0.24 0.19 -1.41 -0.07 -1.03 0.00 0.00 178.44 176.36 1pul h LEU 51 N 0.41 0.56 0.08 0.65 -0.00 -1.00 -3.08 115.31 112.93 1pul h LEU 51 Ca 0.34 -0.64 -0.26 0.00 -0.00 0.00 0.00 57.88 57.32 1pul h LEU 51 Cb 0.76 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1pul h LEU 51 CO -0.11 1.51 -1.26 0.07 -0.00 0.00 0.00 178.44 178.66 1pul h LYS 52 N 0.10 0.16 -0.76 1.13 2.10 -0.51 -1.80 116.57 116.99 1pul h LYS 52 Ca -0.21 -0.28 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1pul h LYS 52 Cb 2.05 0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 33.45 1pul h LYS 52 CO 0.22 1.08 0.50 -0.44 -2.00 0.00 0.00 179.45 178.80 1pul h ASP 53 N 0.04 0.88 -0.12 7.07 5.19 -0.56 -1.90 116.42 127.01 1pul h ASP 53 Ca -0.13 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.18 1pul h ASP 53 Cb 1.92 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 41.20 1pul h ASP 53 CO 0.16 0.64 -0.13 0.00 -3.12 0.00 0.00 179.24 176.79 1pul h ALA 54 N 1.28 1.25 0.00 3.45 0.00 -1.54 -3.47 119.26 120.22 1pul h ALA 54 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pul h ALA 54 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1pul h ALA 54 CO -0.06 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1pul n GLY 55 N -0.63 1.18 0.06 0.00 0.00 -0.72 -4.98 105.19 100.11 1pul n GLY 55 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.48 0.53 -4.50 1.61 0.31 -0.74 -4.96 118.33 109.10 1pul n VAL 56 Ca 0.00 -0.59 -0.25 0.00 -0.01 0.00 0.00 64.34 63.48 1pul n VAL 56 Cb 0.00 -0.26 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 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 -5.05 2.73 -0.57 7.52 2.96 -0.88 -4.88 118.68 120.50 1pul s LEU 57 Ca -0.06 -1.12 -0.16 0.00 -0.22 0.00 0.00 54.13 52.58 1pul s LEU 57 Cb 0.11 -1.08 0.02 0.00 0.50 0.00 0.00 46.19 45.74 1pul s LEU 57 CO 0.86 -0.14 0.64 -0.67 -1.32 0.00 0.00 176.35 175.72 1pul n ASP 58 N -0.77 -6.82 -2.73 3.68 -0.08 -1.26 -4.06 116.55 104.52 1pul n ASP 58 Ca -0.05 -0.02 -0.07 0.00 -1.51 0.00 0.00 54.79 53.14 1pul n ASP 58 Cb 0.62 -3.85 0.06 0.00 2.34 0.00 0.00 41.12 40.29 1pul n ASP 58 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1pul n ASN 59 N -0.98 -2.47 0.00 1.67 5.15 -1.26 -4.96 115.26 112.40 1pul n ASN 59 Ca -0.03 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 1pul n ASN 59 Cb 0.56 1.53 0.00 0.00 -0.53 0.00 0.00 39.78 41.34 1pul n ASN 59 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1pul n LYS 60 N 1.64 0.00 -0.00 1.20 4.81 -1.26 -4.29 118.16 120.26 1pul n LYS 60 Ca 0.07 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.57 1pul n LYS 60 Cb 0.65 0.00 0.37 0.00 0.02 0.00 0.00 35.03 36.07 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pul n ALA 61 N 0.00 2.57 -3.06 3.14 0.00 -1.26 -4.61 120.51 117.29 1pul n ALA 61 Ca 0.00 -0.08 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 1pul n ALA 61 Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 1pul n ALA 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pul s ILE 62 N -2.00 4.88 0.00 0.00 -1.09 -1.26 -5.01 121.20 116.72 1pul s ILE 62 Ca 0.19 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1pul s ILE 62 Cb 0.09 -4.43 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1pul s ILE 62 CO 0.15 -1.03 0.00 0.35 -1.23 0.00 0.00 174.94 173.18 1pul n THR 63 N 5.52 0.00 -0.06 2.92 -2.24 -1.26 -4.87 114.28 114.29 1pul n THR 63 Ca -0.10 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1pul n THR 63 Cb 0.43 -0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 1pul n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pul n GLY 64 N 5.00 -0.64 0.10 3.38 0.00 -1.26 -4.25 105.19 107.51 1pul n GLY 64 Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1pul n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pul h THR 65 N 0.00 1.58 -0.34 2.61 1.03 -1.97 -0.88 112.91 114.94 1pul h THR 65 Ca -0.31 -2.13 -0.00 0.00 -0.01 0.00 0.00 66.41 63.95 1pul h THR 65 Cb 1.67 2.95 -0.02 0.00 -1.07 0.00 0.00 68.15 71.68 1pul h THR 65 CO 0.02 0.58 0.19 0.24 -0.01 0.00 0.00 175.52 176.54 1pul h MET 66 N -0.55 0.46 -0.03 0.00 2.07 -1.95 -2.00 114.93 112.93 1pul h MET 66 Ca -0.05 -0.05 -0.25 0.00 -2.07 0.00 0.00 59.70 57.28 1pul h MET 66 Cb 1.13 -0.09 0.02 0.00 -1.87 0.00 0.00 31.60 30.78 1pul h MET 66 CO 0.06 0.38 -0.97 1.79 1.07 0.00 0.00 176.91 179.23 1pul h THR 67 N 0.43 1.29 -0.66 2.22 1.35 -1.74 -3.24 112.91 112.56 1pul h THR 67 Ca 0.12 -2.22 0.04 0.00 -0.55 0.00 0.00 66.41 63.81 1pul h THR 67 Cb 0.04 2.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.71 1pul h THR 67 CO -0.02 0.69 0.38 1.23 -0.25 0.00 0.00 175.52 177.55 1pul h GLY 68 N 0.56 0.96 0.86 5.82 0.00 -0.97 -0.70 103.07 109.60 1pul h GLY 68 Ca -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1pul h GLY 68 CO 0.19 0.20 0.09 -2.22 0.00 0.00 0.00 176.54 174.81 1pul h ILE 69 N 0.73 0.97 0.02 2.60 2.04 -1.44 0.16 117.51 122.59 1pul h ILE 69 Ca 0.28 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1pul h ILE 69 Cb 0.11 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1pul h ILE 69 CO -0.15 0.04 -0.08 0.00 0.00 0.00 0.00 178.15 177.97 1pul h ALA 70 N 1.13 -0.10 -0.70 1.87 0.00 -1.43 -1.11 119.26 118.92 1pul h ALA 70 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pul h ALA 70 Cb 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1pul h ALA 70 CO -0.08 -0.58 0.46 0.74 0.00 0.00 0.00 179.25 179.79 1pul h PHE 71 N -0.14 0.88 -0.82 0.00 0.04 -0.98 -2.21 116.94 113.72 1pul h PHE 71 Ca 0.02 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.84 1pul h PHE 71 Cb 0.17 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1pul h PHE 71 CO -0.13 0.56 0.54 1.03 -0.60 0.00 0.00 178.31 179.71 1pul h SER 72 N 0.95 0.88 -0.04 2.17 0.87 -0.27 0.16 113.55 118.26 1pul h SER 72 Ca 0.26 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.66 1pul h SER 72 Cb -0.10 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 1pul h SER 72 CO -0.05 0.61 -0.43 0.11 -0.53 0.00 0.00 176.83 176.53 1pul h LYS 73 N 1.02 0.58 0.00 2.24 1.79 -0.62 -2.95 116.57 118.64 1pul h LYS 73 Ca 0.32 -0.31 -0.13 0.00 -2.18 0.00 0.00 60.65 58.35 1pul h LYS 73 Cb 0.01 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1pul h LYS 73 CO -0.09 0.90 -0.61 -0.39 -1.08 0.00 0.00 179.45 178.19 1pul h VAL 74 N 0.47 1.19 0.00 0.50 -1.51 -1.02 -3.46 116.25 112.42 1pul h VAL 74 Ca 0.03 -2.28 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 1pul h VAL 74 Cb 0.95 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1pul h VAL 74 CO 0.08 0.60 0.00 1.07 -1.23 0.00 0.00 177.57 178.09 1pul n THR 75 N -3.46 0.00 0.00 7.19 5.66 -0.59 -4.63 114.28 118.44 1pul n THR 75 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pul n THR 75 Cb 0.69 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 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 -0.88 1.43 3.75 1.09 0.00 0.45 -4.84 105.19 106.19 1pul n GLY 76 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1pul n GLY 76 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pul s PRO 77 N 0.00 4.58 0.13 1.61 0.02 -1.26 -3.91 135.00 136.17 1pul s PRO 77 Ca 0.00 1.80 0.22 0.00 0.02 0.00 0.00 61.00 63.04 1pul s PRO 77 Cb 0.00 -3.23 0.87 0.00 0.02 0.00 0.00 34.50 32.16 1pul s PRO 77 CO 0.00 0.08 1.67 0.36 -0.33 0.00 0.00 177.00 178.78 1pul n LYS 78 N 1.93 0.11 -0.30 5.54 2.85 -1.26 -3.92 118.16 123.11 1pul n LYS 78 Ca 0.02 0.28 -0.11 0.00 -1.05 0.00 0.00 58.31 57.44 1pul n LYS 78 Cb 0.45 -1.69 -0.09 0.00 -0.65 0.00 0.00 35.03 33.05 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 -0.11 0.00 -1.58 3.64 -1.92 -2.95 116.57 113.66 1pul h LYS 79 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pul h LYS 79 Cb 0.40 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pul h LYS 79 CO 0.00 -0.08 0.00 1.17 -2.27 0.00 0.00 179.45 178.27 1pul n LYS 80 N -5.09 0.00 0.11 1.90 4.81 -1.25 -1.22 118.16 117.42 1pul n LYS 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pul n LYS 80 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1pul n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pul n ALA 81 N -0.24 2.13 -3.00 3.14 0.00 -1.26 -4.90 120.51 116.38 1pul n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pul n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pul n ALA 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pul n THR 82 N -3.10 0.00 -0.05 0.00 -2.24 -1.26 -5.03 114.28 102.61 1pul n THR 82 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1pul n THR 82 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1pul n THR 82 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pul n PHE 83 N 0.00 0.68 0.10 4.78 3.72 -1.26 -4.67 117.46 120.81 1pul n PHE 83 Ca 0.00 0.23 -0.03 0.00 -0.05 0.00 0.00 57.45 57.60 1pul n PHE 83 Cb 0.00 -1.12 -0.05 0.00 -0.94 0.00 0.00 39.48 37.37 1pul n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1pul h ASP 84 N 0.01 0.00 -0.95 4.37 3.32 -1.97 -3.33 116.42 117.87 1pul h ASP 84 Ca -0.39 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.76 1pul h ASP 84 Cb 2.08 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.55 1pul h ASP 84 CO 0.06 0.78 0.59 1.05 -1.72 0.00 0.00 179.24 179.99 1pul h GLU 85 N 0.00 0.95 -0.48 3.56 9.09 -1.83 0.11 114.58 125.97 1pul h GLU 85 Ca -0.01 -0.06 -0.12 0.00 0.05 0.00 0.00 59.36 59.23 1pul h GLU 85 Cb 1.59 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 28.46 1pul h GLU 85 CO 0.10 0.63 -0.17 1.15 0.05 0.00 0.00 179.01 180.77 1pul h THR 86 N 0.98 1.27 -0.61 -1.06 2.02 -1.90 0.55 112.91 114.16 1pul h THR 86 Ca 0.45 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.36 1pul h THR 86 Cb 0.37 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1pul h THR 86 CO -0.24 0.46 0.34 0.50 0.37 0.00 0.00 175.52 176.95 1pul h LYS 87 N 0.83 0.62 0.44 6.66 3.64 -1.25 0.63 116.57 128.15 1pul h LYS 87 Ca 0.12 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1pul h LYS 87 Cb 0.72 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1pul h LYS 87 CO 0.06 0.41 -0.21 0.87 -2.27 0.00 0.00 179.45 178.30 1pul h LYS 88 N 0.64 -0.57 -0.74 1.90 1.79 -0.24 -2.77 116.57 116.58 1pul h LYS 88 Ca 0.27 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1pul h LYS 88 Cb 0.15 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1pul h LYS 88 CO -0.17 -0.26 0.29 -0.24 -1.08 0.00 0.00 179.45 178.00 1pul h VAL 89 N -0.94 1.25 -0.87 0.50 3.04 0.20 0.27 116.25 119.70 1pul h VAL 89 Ca -0.06 -0.78 -0.02 0.00 -1.01 0.00 0.00 66.70 64.83 1pul h VAL 89 Cb 0.57 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 30.18 1pul h VAL 89 CO 0.10 0.32 0.47 0.25 -1.01 0.00 0.00 177.57 177.69 1pul h LEU 90 N 1.07 1.09 -0.39 3.16 7.12 -0.96 0.42 115.31 126.82 1pul h LEU 90 Ca 0.25 -0.10 -0.09 0.00 0.13 0.00 0.00 57.88 58.07 1pul h LEU 90 Cb 0.20 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 1pul h LEU 90 CO -0.02 0.89 -0.11 0.00 -0.13 0.00 0.00 178.44 179.07 1pul h ALA 91 N 1.29 0.54 -0.53 1.25 0.00 -0.96 -2.65 119.26 118.20 1pul h ALA 91 Ca 0.31 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1pul h ALA 91 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1pul h ALA 91 CO -0.05 0.42 -0.06 0.74 0.00 0.00 0.00 179.25 180.30 1pul h PHE 92 N 0.58 1.03 -0.65 0.00 0.04 0.31 0.42 116.94 118.68 1pul h PHE 92 Ca 0.10 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.73 1pul h PHE 92 Cb 0.63 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 1pul h PHE 92 CO 0.05 0.95 0.38 0.28 -0.60 0.00 0.00 178.31 179.37 1pul h VAL 93 N 0.86 1.01 -0.24 -0.55 2.07 -0.17 0.06 116.25 119.29 1pul h VAL 93 Ca 0.15 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1pul h VAL 93 Cb 0.58 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1pul h VAL 93 CO 0.04 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 1pul h ALA 94 N 1.31 0.33 -0.96 1.67 0.00 -1.08 -3.19 119.26 117.35 1pul h ALA 94 Ca 0.28 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1pul h ALA 94 Cb 0.11 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 1pul h ALA 94 CO -0.15 0.09 0.56 1.49 0.00 0.00 0.00 179.25 181.25 1pul h GLU 95 N 0.20 0.74 0.00 0.00 4.57 0.38 -1.37 114.58 119.10 1pul h GLU 95 Ca 0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1pul h GLU 95 Cb 0.47 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1pul h GLU 95 CO 0.02 0.49 0.00 -3.47 -1.18 0.00 0.00 179.01 174.87 1pul n ASP 96 N -4.77 0.00 0.18 1.04 2.03 -0.04 0.30 116.55 115.29 1pul n ASP 96 Ca 0.21 0.97 0.06 0.00 0.52 0.00 0.00 54.79 56.55 1pul n ASP 96 Cb 0.49 -0.47 0.22 0.00 -0.72 0.00 0.00 41.12 40.64 1pul n ASP 96 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1pul h ARG 97 N 0.00 0.00 0.09 -0.67 3.08 -1.68 0.01 114.38 115.21 1pul h ARG 97 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pul h ARG 97 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pul h ARG 97 CO 0.00 0.35 -0.04 0.00 -1.07 0.00 0.00 179.97 179.21 1pul h ALA 98 N 1.65 -0.12 -0.15 0.04 0.00 -1.04 -1.69 119.26 117.95 1pul h ALA 98 Ca -0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1pul h ALA 98 Cb 1.08 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pul h ALA 98 CO 0.05 -0.45 -0.75 -0.09 0.00 0.00 0.00 179.25 178.01 1pul h ARG 99 N -0.36 0.77 0.44 0.00 2.43 -0.07 0.55 114.38 118.14 1pul h ARG 99 Ca -0.01 -0.63 -0.02 0.00 -0.81 0.00 0.00 59.98 58.51 1pul h ARG 99 Cb 0.30 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1pul h ARG 99 CO 0.02 1.24 -0.21 0.37 -1.51 0.00 0.00 179.97 179.88 1pul h GLN 100 N 0.50 -0.57 0.30 0.20 -0.00 -1.05 -3.22 115.11 111.27 1pul h GLN 100 Ca -0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1pul h GLN 100 Cb 1.38 0.13 0.00 0.00 0.00 0.00 0.00 27.48 29.00 1pul h GLN 100 CO 0.16 -0.29 -0.15 0.77 0.00 0.00 0.00 178.83 179.32 1pul h SER 101 N -0.79 -0.34 0.00 -0.69 0.02 -1.41 -3.44 113.55 106.90 1pul h SER 101 Ca -0.06 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1pul h SER 101 Cb 0.55 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1pul h SER 101 CO 0.10 0.13 0.00 0.29 -1.14 0.00 0.00 176.83 176.21 1pul n LYS 102 N -5.05 0.00 0.00 3.45 5.02 -0.64 -5.09 118.16 115.86 1pul n LYS 102 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1pul n LYS 102 Cb 0.22 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1pul n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pul n LYS 103 N -1.72 0.00 -2.34 1.97 5.02 0.18 -4.89 118.16 116.39 1pul n LYS 103 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1pul n LYS 103 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1pul n LYS 103 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1pul s PRO 104 N 0.00 4.01 0.24 1.97 0.02 -1.26 -3.73 135.00 136.25 1pul s PRO 104 Ca 0.00 1.52 -0.07 0.00 0.02 0.00 0.00 61.00 62.47 1pul s PRO 104 Cb 0.00 -3.88 0.26 0.00 0.02 0.00 0.00 34.50 30.90 1pul s PRO 104 CO 0.00 -1.01 1.90 0.97 -0.33 0.00 0.00 177.00 178.53 1pul h ILE 105 N 5.83 1.19 -0.67 2.83 2.10 -1.90 -2.99 117.51 123.90 1pul h ILE 105 Ca -0.28 -0.41 0.07 0.00 1.08 0.00 0.00 64.86 65.32 1pul h ILE 105 Cb 1.12 -0.11 -0.06 0.00 -1.09 0.00 0.00 36.82 36.67 1pul h ILE 105 CO 1.00 0.22 0.35 -0.61 -1.08 0.00 0.00 178.15 178.03 1pul h GLN 106 N 1.20 0.61 0.09 2.19 -0.00 -1.97 0.83 115.11 118.06 1pul h GLN 106 Ca 0.35 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.99 1pul h GLN 106 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 27.48 27.24 1pul h GLN 106 CO -0.10 0.40 -0.26 0.22 0.00 0.00 0.00 178.83 179.09 1pul h ASP 107 N 0.62 -0.75 -0.21 -0.69 1.82 -1.94 0.11 116.42 115.38 1pul h ASP 107 Ca 0.31 0.09 -0.16 0.00 -0.39 0.00 0.00 57.03 56.88 1pul h ASP 107 Cb 0.27 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1pul h ASP 107 CO -0.22 -0.35 -0.47 -0.33 -1.61 0.00 0.00 179.24 176.26 1pul h GLU 108 N -0.46 0.78 -0.70 0.28 4.39 -1.55 -2.70 114.58 114.62 1pul h GLU 108 Ca 0.04 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.24 1pul h GLU 108 Cb 0.49 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1pul h GLU 108 CO -0.17 1.07 0.23 1.25 -1.16 0.00 0.00 179.01 180.24 1pul h LEU 109 N 0.62 1.01 -0.85 1.33 5.85 -0.52 0.39 115.31 123.13 1pul h LEU 109 Ca 0.03 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1pul h LEU 109 Cb 1.04 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1pul h LEU 109 CO 0.10 0.94 0.54 -0.78 -0.34 0.00 0.00 178.44 178.90 1pul h ASP 110 N 1.02 0.90 -0.28 1.25 3.58 -0.74 0.37 116.42 122.51 1pul h ASP 110 Ca 0.23 -0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 1pul h ASP 110 Cb 0.28 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1pul h ASP 110 CO -0.01 0.61 -0.04 0.00 -2.88 0.00 0.00 179.24 176.92 1pul h ALA 111 N 1.36 0.39 -0.12 -0.78 0.00 -1.00 -1.13 119.26 117.97 1pul h ALA 111 Ca 0.34 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pul h ALA 111 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pul h ALA 111 CO -0.12 0.18 0.00 0.82 0.00 0.00 0.00 179.25 180.13 1pul h ILE 112 N 0.30 0.92 -0.69 0.00 2.04 0.28 0.27 117.51 120.63 1pul h ILE 112 Ca 0.07 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1pul h ILE 112 Cb 0.51 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1pul h ILE 112 CO 0.02 0.01 0.37 0.74 0.00 0.00 0.00 178.15 179.29 1pul h THR 113 N 0.05 1.22 -0.14 -0.27 2.02 -0.25 0.34 112.91 115.87 1pul h THR 113 Ca 0.06 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1pul h THR 113 Cb 0.06 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1pul h THR 113 CO -0.09 0.24 0.01 -0.08 0.37 0.00 0.00 175.52 175.98 1pul h GLU 114 N 0.95 0.25 0.31 6.66 4.81 -0.96 -1.58 114.58 125.01 1pul h GLU 114 Ca 0.24 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1pul h GLU 114 Cb 0.06 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1pul h GLU 114 CO -0.04 0.45 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.15 1pul h LYS 115 N 0.01 -0.64 -0.13 1.92 1.63 -0.15 -2.25 116.57 116.96 1pul h LYS 115 Ca 0.04 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.81 1pul h LYS 115 Cb 0.33 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1pul h LYS 115 CO 0.00 -0.43 -0.25 -0.07 -3.45 0.00 0.00 179.45 175.26 1pul h LEU 116 N -0.66 0.23 -1.00 5.20 3.38 -0.97 0.31 115.31 121.79 1pul h LEU 116 Ca -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1pul h LEU 116 Cb 0.61 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1pul h LEU 116 CO -0.07 0.48 0.35 0.00 0.09 0.00 0.00 178.44 179.30 1pul h ALA 117 N 1.54 1.22 0.00 1.53 0.00 -1.06 -1.65 119.26 120.84 1pul h ALA 117 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pul h ALA 117 Cb 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pul h ALA 117 CO 0.04 0.60 -0.80 0.87 0.00 0.00 0.00 179.25 179.95 1pul h LYS 118 N 1.06 0.00 -0.66 0.00 1.57 -0.78 -3.30 116.57 114.46 1pul h LYS 118 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1pul h LYS 118 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1pul h LYS 118 CO -0.03 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.74 1pul n LEU 119 N -2.45 4.48 0.00 2.94 0.00 0.10 -5.09 117.00 116.98 1pul n LEU 119 Ca 0.02 -2.26 0.00 0.00 0.00 0.00 0.00 56.01 53.77 1pul n LEU 119 Cb 0.50 -0.56 0.00 0.00 0.00 0.00 0.00 43.42 43.36 1pul n LEU 119 CO 0.38 0.78 0.00 -0.62 0.00 0.00 0.00 177.39 177.93