#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1doi s THR 2 N 0.00 2.53 -0.26 3.45 2.01 -0.88 -0.90 115.64 121.59 1doi s THR 2 Ca 0.00 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1doi s THR 2 Cb 0.00 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1doi s THR 2 CO 0.00 0.52 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.74 1doi s VAL 3 N 0.76 3.19 0.14 3.82 1.01 0.21 -1.16 120.40 128.38 1doi s VAL 3 Ca -0.07 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1doi s VAL 3 Cb -0.16 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 1doi s VAL 3 CO 0.00 0.17 0.66 -0.70 0.00 0.00 0.00 175.10 175.24 1doi s GLU 4 N 1.38 4.31 0.03 2.72 2.12 -0.33 0.38 118.70 129.30 1doi s GLU 4 Ca 0.01 0.88 -0.02 0.00 0.36 0.00 0.00 54.97 56.19 1doi s GLU 4 Cb -0.17 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1doi s GLU 4 CO -0.02 0.56 0.02 1.52 -0.54 0.00 0.00 175.26 176.79 1doi s TYR 5 N -1.24 0.28 -0.05 5.30 -0.85 -0.34 -0.34 117.35 120.12 1doi s TYR 5 Ca 0.35 -0.60 -0.02 0.00 -0.52 0.00 0.00 57.07 56.28 1doi s TYR 5 Cb -0.20 -0.21 0.04 0.00 0.38 0.00 0.00 41.96 41.97 1doi s TYR 5 CO 0.22 -0.28 0.11 -1.17 -1.52 0.00 0.00 175.55 172.91 1doi s LEU 6 N -1.90 0.78 0.08 -3.49 2.96 -0.58 -2.56 118.68 113.97 1doi s LEU 6 Ca -0.09 0.22 -0.31 0.00 -0.22 0.00 0.00 54.13 53.74 1doi s LEU 6 Cb -0.04 0.22 -0.07 0.00 0.50 0.00 0.00 46.19 46.80 1doi s LEU 6 CO -0.03 -0.15 1.31 0.21 -1.32 0.00 0.00 176.35 176.37 1doi s ASN 7 N 1.21 6.93 0.41 3.68 3.84 0.29 -0.42 114.94 130.89 1doi s ASN 7 Ca -0.08 2.17 0.16 0.00 0.21 0.00 0.00 52.86 55.31 1doi s ASN 7 Cb -0.12 -2.58 1.03 0.00 -0.55 0.00 0.00 41.25 39.03 1doi s ASN 7 CO -0.05 -0.59 1.87 0.22 -2.79 0.00 0.00 177.10 175.76 1doi h TYR 8 N 6.95 0.58 -0.24 0.43 3.20 -0.51 -1.74 116.97 125.65 1doi h TYR 8 Ca -0.41 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.55 1doi h TYR 8 Cb 1.21 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1doi h TYR 8 CO 0.68 0.18 0.20 1.05 -1.64 0.00 0.00 178.16 178.62 1doi h GLU 9 N 0.46 0.00 -0.18 1.82 4.11 -1.84 -0.33 114.58 118.62 1doi h GLU 9 Ca 0.45 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.78 1doi h GLU 9 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1doi h GLU 9 CO -0.18 0.00 -0.26 0.28 0.07 0.00 0.00 179.01 178.92 1doi h VAL 10 N 0.00 1.34 -0.33 -1.06 2.07 -1.71 0.17 116.25 116.72 1doi h VAL 10 Ca 0.11 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1doi h VAL 10 Cb 0.51 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1doi h VAL 10 CO -0.00 0.45 0.15 0.58 0.02 0.00 0.00 177.57 178.76 1doi h VAL 11 N 0.16 0.95 -0.34 2.57 2.07 -1.48 -2.23 116.25 117.95 1doi h VAL 11 Ca 0.02 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1doi h VAL 11 Cb 0.84 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1doi h VAL 11 CO 0.06 0.06 -0.46 -0.78 0.02 0.00 0.00 177.57 176.47 1doi h ASP 12 N 0.31 0.99 0.45 0.57 3.58 -0.98 -2.15 116.42 119.18 1doi h ASP 12 Ca 0.14 -0.49 -0.07 0.00 0.42 0.00 0.00 57.03 57.04 1doi h ASP 12 Cb 0.08 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1doi h ASP 12 CO -0.12 1.29 -0.32 0.44 -2.88 0.00 0.00 179.24 177.65 1doi h ASP 13 N 0.72 0.00 0.12 2.28 3.32 -0.88 -2.72 116.42 119.26 1doi h ASP 13 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1doi h ASP 13 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1doi h ASP 13 CO 0.11 0.32 -0.21 0.59 -1.72 0.00 0.00 179.24 178.32 1doi n ASN 14 N -3.92 1.42 -0.51 6.45 3.02 -0.85 -4.93 115.26 115.94 1doi n ASN 14 Ca -0.02 -1.20 -0.07 0.00 -0.03 0.00 0.00 54.58 53.27 1doi n ASN 14 Cb 0.39 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1doi n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1doi n GLY 15 N 1.31 0.83 3.76 7.41 0.00 -0.86 -5.00 105.19 112.65 1doi n GLY 15 Ca 0.13 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1doi n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1doi s TRP 16 N -2.03 2.56 -0.08 1.61 0.51 -0.90 -5.05 118.94 115.56 1doi s TRP 16 Ca 0.00 1.45 0.04 0.00 -2.12 0.00 0.00 56.10 55.47 1doi s TRP 16 Cb 0.00 -3.07 0.00 0.00 -0.81 0.00 0.00 33.47 29.59 1doi s TRP 16 CO 0.00 -1.91 -0.20 0.34 -0.51 0.00 0.00 176.95 174.66 1doi s ASP 17 N -3.45 2.63 0.00 2.95 2.15 -1.26 -4.77 116.67 114.91 1doi s ASP 17 Ca 0.61 -0.46 0.16 0.00 0.43 0.00 0.00 52.55 53.30 1doi s ASP 17 Cb -0.17 -1.05 0.85 0.00 -0.30 0.00 0.00 42.92 42.26 1doi s ASP 17 CO 0.56 0.14 1.43 0.23 -0.17 0.00 0.00 175.17 177.36 1doi n MET 18 N 3.43 0.32 -0.00 4.34 2.81 -1.26 -1.56 117.12 125.19 1doi n MET 18 Ca -0.19 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1doi n MET 18 Cb 0.53 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1doi n MET 18 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1doi n TYR 19 N -1.19 0.00 -0.04 2.03 4.01 -1.26 -4.72 117.16 115.98 1doi n TYR 19 Ca 0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1doi n TYR 19 Cb 0.10 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.01 1doi n TYR 19 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1doi n ASP 20 N -1.47 1.46 -4.95 7.72 8.00 -1.07 -5.01 116.55 121.23 1doi n ASP 20 Ca -0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1doi n ASP 20 Cb 0.01 1.24 -0.02 0.00 -0.02 0.00 0.00 41.12 42.33 1doi n ASP 20 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1doi s ASP 21 N -4.32 6.33 -1.25 -2.24 1.01 -0.60 -4.98 116.67 110.62 1doi s ASP 21 Ca -0.06 0.22 -0.10 0.00 0.71 0.00 0.00 52.55 53.31 1doi s ASP 21 Cb 0.07 -1.93 0.18 0.00 1.01 0.00 0.00 42.92 42.25 1doi s ASP 21 CO 0.61 -0.06 1.76 -0.67 0.21 0.00 0.00 175.17 177.02 1doi n ASP 22 N -1.09 5.19 -0.20 0.27 2.03 -1.26 -4.80 116.55 116.69 1doi n ASP 22 Ca -0.07 -3.10 -0.07 0.00 0.52 0.00 0.00 54.79 52.07 1doi n ASP 22 Cb 0.55 -1.49 0.03 0.00 -0.72 0.00 0.00 41.12 39.50 1doi n ASP 22 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1doi h VAL 23 N 3.91 1.19 0.05 5.18 2.07 -1.90 0.17 116.25 126.92 1doi h VAL 23 Ca 0.37 -0.50 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 1doi h VAL 23 Cb 0.68 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1doi h VAL 23 CO 1.53 0.21 -1.08 -0.26 0.02 0.00 0.00 177.57 177.99 1doi h PHE 24 N 0.77 0.74 -0.17 1.57 0.04 -1.98 -1.63 116.94 116.28 1doi h PHE 24 Ca 0.20 -0.44 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 1doi h PHE 24 Cb 0.06 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1doi h PHE 24 CO -0.01 1.28 0.03 0.78 -0.60 0.00 0.00 178.31 179.79 1doi h GLY 25 N 0.98 0.29 1.32 -1.45 0.00 -1.91 -1.61 103.07 100.69 1doi h GLY 25 Ca -0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 1doi h GLY 25 CO 0.19 0.18 -0.46 0.83 0.00 0.00 0.00 176.54 177.28 1doi h GLU 26 N 0.07 0.73 -0.03 4.80 5.08 -0.73 -2.74 114.58 121.76 1doi h GLU 26 Ca 0.05 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1doi h GLU 26 Cb 0.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1doi h GLU 26 CO 0.00 1.04 -0.39 0.00 -1.00 0.00 0.00 179.01 178.65 1doi h ALA 27 N 0.90 1.29 -0.32 3.43 0.00 -1.21 -2.76 119.26 120.59 1doi h ALA 27 Ca 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1doi h ALA 27 Cb 1.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1doi h ALA 27 CO 0.10 0.52 0.06 1.03 0.00 0.00 0.00 179.25 180.95 1doi h SER 28 N 0.05 0.42 1.02 0.00 0.87 -1.00 -2.83 113.55 112.08 1doi h SER 28 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1doi h SER 28 Cb 0.72 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1doi h SER 28 CO 0.05 0.45 0.00 0.47 -0.53 0.00 0.00 176.83 177.27 1doi n ASP 29 N -4.34 0.62 -2.39 6.23 8.00 -1.05 -4.82 116.55 118.80 1doi n ASP 29 Ca 0.01 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.12 1doi n ASP 29 Cb 0.19 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1doi n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1doi n MET 30 N -2.14 0.13 -2.78 -1.24 2.81 -1.07 -5.04 117.12 107.79 1doi n MET 30 Ca 0.04 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.78 1doi n MET 30 Cb 0.31 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.83 1doi n MET 30 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1doi n ASP 31 N -2.15 2.03 -4.76 7.83 2.03 -1.26 -5.05 116.55 115.22 1doi n ASP 31 Ca 0.00 -3.02 -0.33 0.00 0.52 0.00 0.00 54.79 51.96 1doi n ASP 31 Cb 0.00 -0.54 0.07 0.00 -0.72 0.00 0.00 41.12 39.92 1doi n ASP 31 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1doi s LEU 32 N -3.04 3.32 0.61 -2.67 1.43 -1.26 -5.00 118.68 112.07 1doi s LEU 32 Ca 0.35 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 55.34 1doi s LEU 32 Cb 0.41 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 1doi s LEU 32 CO -0.04 -1.86 1.20 -1.81 0.23 0.00 0.00 176.35 174.08 1doi s ASP 33 N -2.54 5.08 0.49 2.29 1.01 -1.26 -4.81 116.67 116.94 1doi s ASP 33 Ca 0.68 2.37 0.22 0.00 0.71 0.00 0.00 52.55 56.54 1doi s ASP 33 Cb -0.22 -2.60 1.28 0.00 1.01 0.00 0.00 42.92 42.39 1doi s ASP 33 CO 0.44 -1.66 1.96 0.44 0.21 0.00 0.00 175.17 176.55 1doi h ASP 34 N 0.73 0.14 0.99 0.27 3.32 -1.95 -0.60 116.42 119.33 1doi h ASP 34 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1doi h ASP 34 Cb 1.30 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1doi h ASP 34 CO 0.54 0.07 0.00 1.05 -1.72 0.00 0.00 179.24 179.19 1doi h GLU 35 N 0.15 0.00 0.00 3.56 4.11 -1.96 -3.15 114.58 117.29 1doi h GLU 35 Ca 0.31 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.52 1doi h GLU 35 Cb 1.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1doi h GLU 35 CO -0.05 0.00 -1.54 -0.44 0.07 0.00 0.00 179.01 177.05 1doi h ASP 36 N 0.00 0.00 -3.80 3.06 3.32 -1.46 -3.45 116.42 114.10 1doi h ASP 36 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1doi h ASP 36 Cb 0.49 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.79 1doi h ASP 36 CO 0.00 0.78 -0.33 -0.47 -1.72 0.00 0.00 179.24 177.51 1doi s TYR 37 N -2.77 -0.38 -3.20 4.55 5.04 -1.11 -0.55 117.35 118.93 1doi s TYR 37 Ca -0.04 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1doi s TYR 37 Cb 0.08 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.52 1doi s TYR 37 CO 0.82 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.25 1doi n GLY 38 N 3.03 -0.58 3.00 8.97 0.00 -1.06 -4.46 105.19 114.09 1doi n GLY 38 Ca -0.14 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 1doi n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1doi s SER 39 N -4.00 0.83 -0.07 1.61 0.01 -1.26 -1.20 113.70 109.63 1doi s SER 39 Ca 0.00 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.12 1doi s SER 39 Cb 0.00 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.15 1doi s SER 39 CO 0.00 0.05 -0.21 -0.22 0.41 0.00 0.00 173.24 173.27 1doi s LEU 40 N -0.36 1.97 -0.11 2.44 2.96 0.16 -4.94 118.68 120.81 1doi s LEU 40 Ca 0.01 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 1doi s LEU 40 Cb -0.04 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1doi s LEU 40 CO -0.00 0.17 0.64 -1.61 -1.32 0.00 0.00 176.35 174.22 1doi s GLU 41 N 0.15 4.37 -0.05 1.98 0.41 -1.26 -0.62 118.70 123.69 1doi s GLU 41 Ca -0.10 0.73 -0.01 0.00 -0.41 0.00 0.00 54.97 55.19 1doi s GLU 41 Cb -0.15 -3.48 0.03 0.00 -1.78 0.00 0.00 34.13 28.76 1doi s GLU 41 CO 0.05 0.01 0.01 0.08 -0.49 0.00 0.00 175.26 174.92 1doi s VAL 42 N 1.03 0.23 0.66 2.63 1.01 -0.08 -4.96 120.40 120.93 1doi s VAL 42 Ca 0.33 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1doi s VAL 42 Cb -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1doi s VAL 42 CO 0.15 0.20 1.16 0.20 0.00 0.00 0.00 175.10 176.81 1doi s ASN 43 N 1.59 4.86 0.30 3.32 0.01 -1.26 0.27 114.94 124.02 1doi s ASN 43 Ca -0.01 2.19 -0.29 0.00 -0.71 0.00 0.00 52.86 54.03 1doi s ASN 43 Cb -0.13 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 38.85 1doi s ASN 43 CO -0.03 -1.81 1.47 -1.61 -1.51 0.00 0.00 177.10 173.61 1doi s GLU 44 N -3.85 4.21 0.00 -0.60 2.02 -1.26 -2.07 118.70 117.15 1doi s GLU 44 Ca 0.71 2.42 0.00 0.00 0.02 0.00 0.00 54.97 58.12 1doi s GLU 44 Cb -0.25 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1doi s GLU 44 CO 0.40 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1doi n GLY 45 N 1.64 2.45 3.71 -1.39 0.00 -1.26 -5.01 105.19 105.32 1doi n GLY 45 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1doi n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1doi s GLU 46 N -0.44 4.31 0.26 1.61 2.12 -0.88 -4.96 118.70 120.72 1doi s GLU 46 Ca 0.00 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 1doi s GLU 46 Cb 0.00 -3.47 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 1doi s GLU 46 CO 0.00 0.07 1.51 0.71 -0.54 0.00 0.00 175.26 177.02 1doi s TYR 47 N 0.90 2.91 0.14 5.30 2.02 -1.26 -4.26 117.35 123.10 1doi s TYR 47 Ca 0.26 0.89 -0.15 0.00 -0.37 0.00 0.00 57.07 57.71 1doi s TYR 47 Cb -0.15 -3.93 0.02 0.00 -0.40 0.00 0.00 41.96 37.49 1doi s TYR 47 CO 0.10 -3.12 1.71 0.82 -1.57 0.00 0.00 175.55 173.49 1doi h ILE 48 N 3.50 1.20 -0.52 2.71 2.04 -1.11 -0.84 117.51 124.49 1doi h ILE 48 Ca -0.46 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 64.85 1doi h ILE 48 Cb 1.22 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1doi h ILE 48 CO 0.79 0.22 0.27 0.25 0.00 0.00 0.00 178.15 179.69 1doi h LEU 49 N 0.59 0.40 -0.89 1.44 5.85 -1.71 -0.58 115.31 120.41 1doi h LEU 49 Ca 0.15 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1doi h LEU 49 Cb 0.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1doi h LEU 49 CO -0.01 0.27 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.68 1doi h GLU 50 N 0.53 0.39 -0.53 1.25 5.08 -1.77 -0.08 114.58 119.46 1doi h GLU 50 Ca 0.23 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1doi h GLU 50 Cb 0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1doi h GLU 50 CO -0.15 0.70 -0.02 0.00 -1.00 0.00 0.00 179.01 178.54 1doi h ALA 51 N 1.30 0.96 -0.62 3.43 0.00 -0.54 -1.32 119.26 122.47 1doi h ALA 51 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1doi h ALA 51 Cb 0.78 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1doi h ALA 51 CO 0.06 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.06 1doi h ALA 52 N 1.12 1.06 -0.21 0.00 0.00 -0.30 -3.00 119.26 117.94 1doi h ALA 52 Ca 0.15 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1doi h ALA 52 Cb 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1doi h ALA 52 CO 0.03 0.61 -0.58 0.93 0.00 0.00 0.00 179.25 180.24 1doi h GLU 53 N 0.93 0.65 0.00 0.00 5.08 -0.77 0.42 114.58 120.89 1doi h GLU 53 Ca 0.19 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1doi h GLU 53 Cb 0.37 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1doi h GLU 53 CO 0.00 1.05 0.00 0.00 -1.00 0.00 0.00 179.01 179.06 1doi n ALA 54 N -2.54 1.39 1.20 3.43 0.00 -0.52 0.37 120.51 123.83 1doi n ALA 54 Ca -0.04 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1doi n ALA 54 Cb 0.63 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 19.13 1doi n ALA 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1doi n GLN 55 N -2.16 1.86 -0.69 0.00 1.13 -0.62 -4.92 117.38 111.98 1doi n GLN 55 Ca 0.01 -1.27 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 1doi n GLN 55 Cb 0.14 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1doi n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1doi n GLY 56 N 1.21 0.61 3.66 1.08 0.00 0.16 -5.02 105.19 106.89 1doi n GLY 56 Ca 0.17 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1doi n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1doi s TYR 57 N -2.00 3.38 -1.15 1.61 2.02 0.04 -4.96 117.35 116.29 1doi s TYR 57 Ca 0.00 0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 57.49 1doi s TYR 57 Cb 0.00 -2.72 0.26 0.00 -0.40 0.00 0.00 41.96 39.09 1doi s TYR 57 CO 0.00 -0.13 1.67 -3.47 -1.57 0.00 0.00 175.55 172.05 1doi n ASP 58 N 4.87 6.17 -4.79 2.29 2.03 -1.26 -3.48 116.55 122.38 1doi n ASP 58 Ca -0.03 -3.34 -0.33 0.00 0.52 0.00 0.00 54.79 51.61 1doi n ASP 58 Cb 0.50 -1.33 0.02 0.00 -0.72 0.00 0.00 41.12 39.59 1doi n ASP 58 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1doi s TRP 59 N -1.90 2.84 0.43 -0.67 0.52 -1.26 -4.97 118.94 113.93 1doi s TRP 59 Ca 0.35 1.53 -0.26 0.00 0.02 0.00 0.00 56.10 57.75 1doi s TRP 59 Cb 0.08 -3.09 -0.08 0.00 -1.15 0.00 0.00 33.47 29.22 1doi s TRP 59 CO 0.05 -1.31 1.34 -1.25 0.02 0.00 0.00 176.95 175.80 1doi s PRO 60 N -3.91 3.84 -0.08 4.98 0.04 -1.26 -5.03 135.00 133.58 1doi s PRO 60 Ca 0.66 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.64 1doi s PRO 60 Cb -0.18 -2.69 0.12 0.00 0.04 0.00 0.00 34.50 31.78 1doi s PRO 60 CO 0.35 -0.63 0.98 -0.59 0.04 0.00 0.00 177.00 177.15 1doi s PHE 61 N -1.25 -0.31 0.03 0.56 -0.71 -1.26 -3.85 117.98 111.20 1doi s PHE 61 Ca 0.59 0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.75 1doi s PHE 61 Cb -0.40 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 1doi s PHE 61 CO 0.51 -0.43 0.00 0.45 -1.34 0.00 0.00 175.22 174.41 1doi n SER 62 N 0.00 0.02 0.11 1.98 2.88 -1.26 -4.93 113.62 112.42 1doi n SER 62 Ca -0.07 0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.48 1doi n SER 62 Cb 0.60 0.03 0.10 0.00 -0.75 0.00 0.00 64.21 64.19 1doi n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1doi n ARG 64 N -3.76 -1.40 -0.07 0.00 1.74 -1.26 -4.86 116.66 107.05 1doi n ARG 64 Ca -0.02 0.92 0.02 0.00 -0.77 0.00 0.00 57.85 58.00 1doi n ARG 64 Cb 0.67 -5.24 0.02 0.00 -1.02 0.00 0.00 32.46 26.89 1doi n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1doi n ALA 65 N 0.59 1.74 -1.97 7.54 0.00 -1.26 -4.85 120.51 122.30 1doi n ALA 65 Ca -0.16 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.10 1doi n ALA 65 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1doi n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1doi n GLY 66 N -0.44 0.23 0.07 0.00 0.00 -1.26 -4.91 105.19 98.88 1doi n GLY 66 Ca 0.03 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.50 1doi n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1doi n ALA 67 N -0.90 2.09 -3.47 4.61 0.00 -1.26 -4.30 120.51 117.28 1doi n ALA 67 Ca -0.09 -1.83 -0.06 0.00 0.00 0.00 0.00 53.44 51.47 1doi n ALA 67 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 1doi n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1doi n ALA 69 N -1.94 2.16 0.19 0.00 0.00 0.13 -4.76 120.51 116.29 1doi n ALA 69 Ca -0.06 -0.98 0.03 0.00 0.00 0.00 0.00 53.44 52.43 1doi n ALA 69 Cb 0.27 -0.22 0.38 0.00 0.00 0.00 0.00 19.45 19.88 1doi n ALA 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1doi h ASN 70 N 1.06 0.00 -0.15 0.00 4.21 -1.92 -1.62 115.58 117.16 1doi h ASN 70 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1doi h ASN 70 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1doi h ASN 70 CO 0.00 0.35 0.00 0.00 -1.29 0.00 0.00 177.43 176.49 1doi n ALA 72 N 0.50 -1.37 -2.42 0.00 0.00 -0.61 -2.37 120.51 114.24 1doi n ALA 72 Ca 0.17 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1doi n ALA 72 Cb 0.39 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 17.97 1doi n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1doi s ALA 73 N -1.62 0.03 -0.16 0.00 0.00 -0.61 -1.86 121.76 117.54 1doi s ALA 73 Ca 0.65 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1doi s ALA 73 Cb -0.52 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1doi s ALA 73 CO 0.57 -0.48 -0.05 0.42 0.00 0.00 0.00 175.76 176.22 1doi s ILE 74 N -3.89 3.71 -0.27 0.00 -1.09 -0.19 -1.34 121.20 118.13 1doi s ILE 74 Ca 0.07 -0.42 -0.19 0.00 -2.23 0.00 0.00 60.65 57.89 1doi s ILE 74 Cb 0.06 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1doi s ILE 74 CO -0.10 0.48 0.55 0.54 -1.23 0.00 0.00 174.94 175.19 1doi s VAL 75 N 0.55 5.03 -0.09 2.92 0.11 -0.21 -1.20 120.40 127.51 1doi s VAL 75 Ca -0.04 0.88 0.15 0.00 -2.93 0.00 0.00 61.98 60.05 1doi s VAL 75 Cb -0.15 -3.88 -0.21 0.00 -1.53 0.00 0.00 36.38 30.61 1doi s VAL 75 CO 0.03 0.02 0.59 0.18 -3.33 0.00 0.00 175.10 172.58 1doi n LEU 76 N 5.64 0.69 -3.82 2.54 4.32 0.59 -4.86 117.00 122.10 1doi n LEU 76 Ca -0.03 0.32 -0.12 0.00 -0.02 0.00 0.00 56.01 56.16 1doi n LEU 76 Cb 0.49 0.20 -0.12 0.00 -1.62 0.00 0.00 43.42 42.38 1doi n LEU 76 CO 0.42 0.34 -0.16 -1.61 -1.22 0.00 0.00 177.39 175.16 1doi s GLU 77 N -2.68 0.28 2.32 3.23 2.02 -1.05 -4.93 118.70 117.89 1doi s GLU 77 Ca -0.05 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1doi s GLU 77 Cb 0.08 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1doi s GLU 77 CO 0.82 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1doi n GLY 78 N 2.62 -1.04 3.38 -1.39 0.00 -1.25 -1.17 105.19 106.34 1doi n GLY 78 Ca -0.15 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1doi n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1doi s ASP 79 N -4.00 -0.09 -0.06 1.61 -1.08 -1.26 -4.95 116.67 106.84 1doi s ASP 79 Ca 0.00 -0.63 0.03 0.00 -0.52 0.00 0.00 52.55 51.43 1doi s ASP 79 Cb 0.00 0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.94 1doi s ASP 79 CO 0.00 -0.92 -0.15 -0.63 0.52 0.00 0.00 175.17 173.99 1doi s ILE 80 N -3.90 1.35 -0.17 4.11 1.01 -1.26 -0.52 121.20 121.82 1doi s ILE 80 Ca 0.11 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1doi s ILE 80 Cb 0.02 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 1doi s ILE 80 CO -0.04 0.40 0.29 -0.62 0.00 0.00 0.00 174.94 174.96 1doi s ASP 81 N 0.43 6.40 0.23 3.58 2.15 0.13 -4.84 116.67 124.74 1doi s ASP 81 Ca -0.12 0.47 0.09 0.00 0.43 0.00 0.00 52.55 53.41 1doi s ASP 81 Cb -0.15 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.25 1doi s ASP 81 CO 0.04 0.08 0.00 -0.04 -0.17 0.00 0.00 175.17 175.09 1doi s MET 82 N 0.58 2.35 1.03 4.34 -1.94 -1.26 -0.88 119.30 123.52 1doi s MET 82 Ca 0.16 -1.27 -0.13 0.00 -1.71 0.00 0.00 55.69 52.73 1doi s MET 82 Cb -0.13 -2.25 0.20 0.00 2.01 0.00 0.00 34.83 34.66 1doi s MET 82 CO 0.04 0.40 1.10 -0.51 -0.01 0.00 0.00 175.02 176.04 1doi s ASP 83 N -3.36 2.37 0.44 3.03 1.01 -0.50 -4.97 116.67 114.69 1doi s ASP 83 Ca 0.29 1.06 -0.26 0.00 0.71 0.00 0.00 52.55 54.36 1doi s ASP 83 Cb -0.08 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.11 1doi s ASP 83 CO 0.19 -3.27 1.41 -0.04 0.21 0.00 0.00 175.17 173.67 1doi s MET 84 N -5.06 3.78 -0.10 8.23 -1.94 -1.26 -5.00 119.30 117.95 1doi s MET 84 Ca 0.66 2.39 -0.22 0.00 -1.71 0.00 0.00 55.69 56.81 1doi s MET 84 Cb -0.17 -2.71 0.05 0.00 2.01 0.00 0.00 34.83 34.02 1doi s MET 84 CO 0.57 -0.73 0.54 1.14 -0.01 0.00 0.00 175.02 176.52 1doi s GLN 85 N -2.38 0.81 0.00 2.03 1.03 -1.26 -4.90 119.66 114.99 1doi s GLN 85 Ca 0.59 0.32 0.02 0.00 0.04 0.00 0.00 55.36 56.34 1doi s GLN 85 Cb -0.43 0.38 0.02 0.00 0.03 0.00 0.00 33.01 33.01 1doi s GLN 85 CO 0.56 -0.20 0.62 1.04 -2.54 0.00 0.00 175.29 174.77 1doi n GLN 86 N 1.68 -0.27 0.08 9.60 3.00 -1.26 -4.76 117.38 125.45 1doi n GLN 86 Ca -0.18 -0.74 -0.11 0.00 -0.01 0.00 0.00 57.00 55.97 1doi n GLN 86 Cb 0.56 -1.04 -0.13 0.00 0.00 0.00 0.00 30.24 29.64 1doi n GLN 86 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1doi h ILE 87 N 0.37 1.62 -3.15 5.09 2.10 -1.95 -3.45 117.51 118.14 1doi h ILE 87 Ca 0.00 -3.27 -0.59 0.00 1.08 0.00 0.00 64.86 62.09 1doi h ILE 87 Cb 0.14 2.89 -0.05 0.00 -1.09 0.00 0.00 36.82 38.71 1doi h ILE 87 CO 0.00 0.94 -0.13 -0.76 -1.08 0.00 0.00 178.15 177.12 1doi s LEU 88 N -6.90 4.45 0.75 2.19 1.02 -1.26 -5.08 118.68 113.85 1doi s LEU 88 Ca -0.01 1.05 -0.10 0.00 0.02 0.00 0.00 54.13 55.09 1doi s LEU 88 Cb 0.09 -2.87 0.06 0.00 0.02 0.00 0.00 46.19 43.48 1doi s LEU 88 CO 0.85 0.24 1.11 -0.94 0.02 0.00 0.00 176.35 177.63 1doi s SER 89 N -1.31 4.84 0.22 2.29 1.04 -1.26 -4.88 113.70 114.64 1doi s SER 89 Ca 0.29 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 1doi s SER 89 Cb -0.17 -1.40 0.29 0.00 0.10 0.00 0.00 66.02 64.85 1doi s SER 89 CO 0.17 -1.67 1.81 0.44 0.98 0.00 0.00 173.24 174.97 1doi h ASP 90 N -0.81 0.59 -0.76 7.02 3.32 -1.99 -1.23 116.42 122.56 1doi h ASP 90 Ca -0.45 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1doi h ASP 90 Cb 1.31 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1doi h ASP 90 CO 0.64 0.37 0.35 -0.33 -1.72 0.00 0.00 179.24 178.55 1doi h GLU 91 N 0.73 1.11 -0.53 3.56 3.07 -1.97 0.34 114.58 120.89 1doi h GLU 91 Ca 0.33 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1doi h GLU 91 Cb 0.24 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 1doi h GLU 91 CO -0.21 0.88 0.30 0.93 -1.40 0.00 0.00 179.01 179.51 1doi h GLU 92 N 1.08 0.74 0.17 2.33 5.08 -1.79 0.14 114.58 122.32 1doi h GLU 92 Ca 0.26 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1doi h GLU 92 Cb 0.15 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1doi h GLU 92 CO -0.03 0.57 -0.08 0.28 -1.00 0.00 0.00 179.01 178.75 1doi h VAL 93 N 0.71 0.96 0.07 3.13 2.07 -0.99 -0.63 116.25 121.57 1doi h VAL 93 Ca 0.19 -0.75 -0.28 0.00 0.82 0.00 0.00 66.70 66.68 1doi h VAL 93 Cb 0.04 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1doi h VAL 93 CO -0.03 0.17 -1.42 -0.33 0.02 0.00 0.00 177.57 175.98 1doi h GLU 94 N -0.60 0.14 0.00 1.57 5.08 -0.33 -2.97 114.58 117.48 1doi h GLU 94 Ca -0.02 -0.25 -0.26 0.00 -1.00 0.00 0.00 59.36 57.83 1doi h GLU 94 Cb 0.45 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1doi h GLU 94 CO 0.04 0.98 -1.95 -0.25 -1.00 0.00 0.00 179.01 176.83 1doi n ASP 95 N -3.36 2.17 -0.00 1.42 8.00 -0.17 -4.57 116.55 120.05 1doi n ASP 95 Ca -0.12 0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.54 1doi n ASP 95 Cb 1.02 -0.35 0.45 0.00 -0.02 0.00 0.00 41.12 42.21 1doi n ASP 95 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1doi n LYS 96 N -3.28 0.01 -2.63 -1.24 5.02 -0.14 -4.98 118.16 110.92 1doi n LYS 96 Ca -0.31 -0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.81 1doi n LYS 96 Cb 0.79 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.31 1doi n LYS 96 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1doi n ASN 97 N -1.49 -4.90 -4.74 4.39 3.02 -0.31 -4.84 115.26 106.39 1doi n ASN 97 Ca 0.06 -0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.08 1doi n ASN 97 Cb 0.34 -3.85 -0.05 0.00 -0.61 0.00 0.00 39.78 35.60 1doi n ASN 97 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1doi s VAL 98 N -2.93 4.81 0.09 2.41 1.01 -0.80 -1.05 120.40 123.94 1doi s VAL 98 Ca 0.14 1.57 0.05 0.00 0.00 0.00 0.00 61.98 63.74 1doi s VAL 98 Cb -0.06 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1doi s VAL 98 CO 0.18 0.34 -0.13 -0.13 0.00 0.00 0.00 175.10 175.36 1doi s ARG 99 N 0.11 0.89 -0.28 2.72 1.81 -0.45 -4.39 118.95 119.36 1doi s ARG 99 Ca 0.38 -1.09 -0.08 0.00 -1.72 0.00 0.00 55.73 53.21 1doi s ARG 99 Cb -0.20 -0.77 -0.02 0.00 -0.45 0.00 0.00 34.95 33.52 1doi s ARG 99 CO 0.22 0.15 0.11 -0.51 -0.68 0.00 0.00 175.30 174.59 1doi s LEU 100 N -2.15 3.80 0.45 2.53 1.43 -1.26 -1.57 118.68 121.92 1doi s LEU 100 Ca 0.03 -0.38 0.25 0.00 -1.03 0.00 0.00 54.13 53.01 1doi s LEU 100 Cb -0.07 -1.97 0.93 0.00 0.03 0.00 0.00 46.19 45.12 1doi s LEU 100 CO 0.02 -0.12 1.83 0.71 0.23 0.00 0.00 176.35 179.02 1doi h THR 101 N 5.61 0.43 0.00 5.49 1.35 -1.80 -2.57 112.91 121.43 1doi h THR 101 Ca -0.35 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.43 1doi h THR 101 Cb 1.16 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1doi h THR 101 CO 0.59 0.18 -0.18 0.00 -0.25 0.00 0.00 175.52 175.86 1doi n ILE 103 N -3.56 1.57 -4.44 0.00 -5.35 -1.10 -4.86 119.36 101.61 1doi n ILE 103 Ca -0.01 -2.14 -0.21 0.00 -0.27 0.00 0.00 62.75 60.11 1doi n ILE 103 Cb 0.32 -0.04 -0.14 0.00 -1.74 0.00 0.00 39.64 38.05 1doi n ILE 103 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1doi s GLY 104 N -2.66 0.84 0.28 3.28 0.00 -0.99 -1.41 107.32 106.67 1doi s GLY 104 Ca 0.30 -0.84 0.12 0.00 0.00 0.00 0.00 44.72 44.29 1doi s GLY 104 CO -0.02 -0.80 -0.19 -1.35 0.00 0.00 0.00 173.10 170.74 1doi s SER 105 N -1.04 3.55 0.32 1.64 1.04 -0.06 -0.95 113.70 118.18 1doi s SER 105 Ca 0.03 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.13 1doi s SER 105 Cb -0.08 -0.29 -0.11 0.00 0.10 0.00 0.00 66.02 65.64 1doi s SER 105 CO 0.01 0.02 1.57 -2.16 0.98 0.00 0.00 173.24 173.66 1doi s PRO 106 N -3.52 4.11 -0.15 4.02 0.04 -1.26 -0.69 135.00 137.55 1doi s PRO 106 Ca 0.30 2.58 0.17 0.00 0.04 0.00 0.00 61.00 64.10 1doi s PRO 106 Cb -0.04 -3.01 0.40 0.00 0.04 0.00 0.00 34.50 31.89 1doi s PRO 106 CO 0.15 -0.61 1.28 -3.47 0.04 0.00 0.00 177.00 174.39 1doi n ASP 107 N 1.71 3.11 -3.43 6.66 2.03 0.32 -4.55 116.55 122.40 1doi n ASP 107 Ca 0.06 -3.02 -0.12 0.00 0.52 0.00 0.00 54.79 52.24 1doi n ASP 107 Cb 0.38 -0.48 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 1doi n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1doi s ALA 108 N -2.79 -1.60 0.35 -1.67 0.00 -1.24 -4.59 121.76 110.21 1doi s ALA 108 Ca 0.36 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1doi s ALA 108 Cb 0.30 0.87 0.64 0.00 0.00 0.00 0.00 23.12 24.94 1doi s ALA 108 CO 0.06 -0.77 1.90 0.22 0.00 0.00 0.00 175.76 177.17 1doi h ASP 109 N 2.00 0.48 -3.31 0.00 3.58 -1.94 -3.41 116.42 113.81 1doi h ASP 109 Ca -0.33 -0.08 -0.57 0.00 0.42 0.00 0.00 57.03 56.47 1doi h ASP 109 Cb 1.31 -0.12 -0.34 0.00 1.72 0.00 0.00 39.33 41.89 1doi h ASP 109 CO 0.37 0.53 -0.83 -1.61 -2.88 0.00 0.00 179.24 174.82 1doi s GLU 110 N -5.03 2.12 0.06 0.28 0.41 -1.26 -2.06 118.70 113.21 1doi s GLU 110 Ca -0.08 -0.53 0.04 0.00 -0.41 0.00 0.00 54.97 53.99 1doi s GLU 110 Cb 0.16 -1.78 -0.03 0.00 -1.78 0.00 0.00 34.13 30.70 1doi s GLU 110 CO 0.76 -0.03 -0.13 0.08 -0.49 0.00 0.00 175.26 175.45 1doi s VAL 111 N 0.89 0.97 -0.05 2.63 1.01 -0.31 -3.84 120.40 121.70 1doi s VAL 111 Ca -0.09 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 1doi s VAL 111 Cb -0.15 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1doi s VAL 111 CO 0.00 -0.20 -0.01 -0.54 0.00 0.00 0.00 175.10 174.35 1doi s LYS 112 N -1.53 0.53 0.13 2.72 1.02 -0.31 -1.19 119.74 121.10 1doi s LYS 112 Ca -0.03 0.05 0.05 0.00 0.02 0.00 0.00 55.97 56.05 1doi s LYS 112 Cb -0.09 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1doi s LYS 112 CO 0.02 -0.18 -0.11 0.96 -0.92 0.00 0.00 175.35 175.12 1doi s ILE 113 N 1.34 1.13 -0.39 2.17 -4.36 0.54 -0.30 121.20 121.34 1doi s ILE 113 Ca -0.05 -1.88 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1doi s ILE 113 Cb -0.13 -1.65 0.10 0.00 1.25 0.00 0.00 42.46 42.03 1doi s ILE 113 CO -0.02 -0.63 0.17 -0.69 0.24 0.00 0.00 174.94 174.01 1doi s VAL 114 N -2.85 3.30 0.80 8.37 1.01 -0.34 -1.52 120.40 129.17 1doi s VAL 114 Ca 0.12 -1.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.14 1doi s VAL 114 Cb -0.00 -3.19 0.14 0.00 0.00 0.00 0.00 36.38 33.33 1doi s VAL 114 CO 0.01 -0.57 1.10 -0.72 0.00 0.00 0.00 175.10 174.92 1doi s TYR 115 N 1.18 1.79 -1.16 5.22 -0.85 0.45 -1.02 117.35 122.95 1doi s TYR 115 Ca 0.06 0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1doi s TYR 115 Cb -0.22 -3.39 0.00 0.00 0.38 0.00 0.00 41.96 38.73 1doi s TYR 115 CO -0.03 -1.97 0.02 -1.71 -1.52 0.00 0.00 175.55 170.34 1doi n ASN 116 N -3.15 -4.25 0.00 -0.18 4.05 -1.15 0.18 115.26 110.76 1doi n ASN 116 Ca 0.14 -0.02 0.08 0.00 0.45 0.00 0.00 54.58 55.23 1doi n ASN 116 Cb 0.60 -3.41 0.49 0.00 1.23 0.00 0.00 39.78 38.69 1doi n ASN 116 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1doi n ALA 117 N -1.74 2.37 0.32 5.20 0.00 -0.78 -3.06 120.51 122.83 1doi n ALA 117 Ca -0.16 -0.10 0.20 0.00 0.00 0.00 0.00 53.44 53.38 1doi n ALA 117 Cb 0.62 -1.27 1.09 0.00 0.00 0.00 0.00 19.45 19.89 1doi n ALA 117 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1doi h LYS 118 N 0.00 0.00 0.00 0.00 2.10 -1.77 -1.97 116.57 114.93 1doi h LYS 118 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1doi h LYS 118 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1doi h LYS 118 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 1doi n HIS 119 N -3.37 0.00 -2.14 0.07 8.25 -1.17 -4.28 115.22 112.59 1doi n HIS 119 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1doi n HIS 119 Cb 0.09 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 1doi n HIS 119 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1doi s LEU 120 N -2.66 4.42 0.29 2.41 1.43 -0.74 -4.92 118.68 118.90 1doi s LEU 120 Ca 0.23 2.60 -0.01 0.00 -1.03 0.00 0.00 54.13 55.93 1doi s LEU 120 Cb 0.18 -3.63 0.42 0.00 0.03 0.00 0.00 46.19 43.19 1doi s LEU 120 CO 0.44 -0.54 1.84 -0.78 0.23 0.00 0.00 176.35 177.53 1doi h ASP 121 N 4.13 0.75 0.72 2.29 3.58 -1.90 -1.41 116.42 124.58 1doi h ASP 121 Ca -0.47 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.85 1doi h ASP 121 Cb 1.22 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1doi h ASP 121 CO 0.70 0.73 0.00 0.10 -2.88 0.00 0.00 179.24 177.90 1doi h TYR 122 N 0.79 0.00 -0.00 0.28 -0.00 -1.96 -2.25 116.97 113.83 1doi h TYR 122 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.91 1doi h TYR 122 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.00 1doi h TYR 122 CO 0.02 0.00 -0.89 1.28 -0.00 0.00 0.00 178.16 178.56 1doi n LEU 123 N -2.36 0.99 0.30 0.10 4.77 -0.56 -4.45 117.00 115.80 1doi n LEU 123 Ca 0.02 -0.44 0.17 0.00 -0.03 0.00 0.00 56.01 55.72 1doi n LEU 123 Cb 0.23 -0.04 0.97 0.00 -2.33 0.00 0.00 43.42 42.25 1doi n LEU 123 CO 0.20 0.24 1.11 1.56 -1.33 0.00 0.00 177.39 179.17 1doi h GLN 124 N 0.15 0.00 0.00 3.23 1.08 -1.10 -1.57 115.11 116.90 1doi h GLN 124 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1doi h GLN 124 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1doi h GLN 124 CO 0.00 0.02 0.00 0.27 -0.95 0.00 0.00 178.83 178.17 1doi n ASN 125 N -3.54 0.00 -0.07 1.46 6.94 -1.26 -3.10 115.26 115.69 1doi n ASN 125 Ca -0.03 -0.09 0.02 0.00 -0.02 0.00 0.00 54.58 54.46 1doi n ASN 125 Cb 0.12 -0.26 0.02 0.00 -2.36 0.00 0.00 39.78 37.30 1doi n ASN 125 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1doi n ARG 126 N -1.26 1.49 -3.35 -3.83 1.74 -0.60 -5.00 116.66 105.85 1doi n ARG 126 Ca 0.11 -1.34 -0.38 0.00 -0.77 0.00 0.00 57.85 55.47 1doi n ARG 126 Cb 0.17 -0.88 -0.07 0.00 -1.02 0.00 0.00 32.46 30.65 1doi n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1doi s VAL 127 N -0.92 5.18 -1.86 1.55 1.01 -1.18 -0.69 120.40 123.49 1doi s VAL 127 Ca 0.05 0.80 0.15 0.00 0.00 0.00 0.00 61.98 62.98 1doi s VAL 127 Cb 0.05 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.78 1doi s VAL 127 CO 0.01 0.25 0.97 2.30 0.00 0.00 0.00 175.10 178.63