#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 s SER 2 N 0.00 0.71 0.61 1.61 0.01 -1.26 -5.05 113.70 110.33 1v95 s SER 2 Ca 0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1v95 s SER 2 Cb 0.00 0.89 0.00 0.00 0.21 0.00 0.00 66.02 67.12 1v95 s SER 2 CO 0.00 -0.31 0.00 -1.20 0.41 0.00 0.00 173.24 172.14 1v95 n SER 3 N 4.87 -8.43 0.00 2.44 7.64 -1.26 -4.91 113.62 113.96 1v95 n SER 3 Ca 0.05 1.81 0.00 0.00 1.01 0.00 0.00 58.87 61.74 1v95 n SER 3 Cb 0.48 -5.18 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 1v95 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 4 N -3.04 0.90 2.18 0.23 0.00 -1.26 -5.07 105.19 99.12 1v95 n GLY 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1v95 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v95 n SER 5 N -1.05 -8.77 -0.04 1.61 2.88 -1.26 -5.03 113.62 101.96 1v95 n SER 5 Ca 0.00 1.63 -0.05 0.00 -1.33 0.00 0.00 58.87 59.11 1v95 n SER 5 Cb 0.00 -4.78 -0.02 0.00 -0.75 0.00 0.00 64.21 58.66 1v95 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v95 n SER 6 N 1.66 1.51 -4.85 -3.46 2.88 -1.26 -5.08 113.62 105.02 1v95 n SER 6 Ca 0.00 0.24 -0.25 0.00 -1.33 0.00 0.00 58.87 57.53 1v95 n SER 6 Cb 0.00 -0.57 0.01 0.00 -0.75 0.00 0.00 64.21 62.90 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v95 n GLY 7 N 2.20 2.61 3.80 0.46 0.00 -1.26 -5.11 105.19 107.89 1v95 n GLY 7 Ca -0.08 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.31 1v95 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 8 N -4.32 3.83 -0.30 1.61 0.04 -1.26 -4.99 135.00 129.61 1v95 s PRO 8 Ca 0.36 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1v95 s PRO 8 Cb -0.03 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1v95 s PRO 8 CO 0.23 -0.41 0.05 0.08 0.04 0.00 0.00 177.00 176.99 1v95 s VAL 9 N -1.96 1.44 0.37 -0.36 1.01 -1.26 -4.96 120.40 114.68 1v95 s VAL 9 Ca 0.67 -1.61 0.21 0.00 0.00 0.00 0.00 61.98 61.25 1v95 s VAL 9 Cb -0.17 -1.98 0.36 0.00 0.00 0.00 0.00 36.38 34.59 1v95 s VAL 9 CO 0.20 -0.50 1.58 0.44 0.00 0.00 0.00 175.10 176.83 1v95 h ASP 10 N 7.92 0.32 -3.10 3.32 5.19 -1.42 -3.34 116.42 125.30 1v95 h ASP 10 Ca -0.12 0.25 -0.28 0.00 -0.62 0.00 0.00 57.03 56.27 1v95 h ASP 10 Cb 1.03 0.26 -0.35 0.00 0.18 0.00 0.00 39.33 40.45 1v95 h ASP 10 CO 0.47 -0.42 -0.62 0.00 -3.12 0.00 0.00 179.24 175.55 1v95 s SER 12 N 2.17 5.40 -0.28 0.00 0.01 -0.17 -2.41 113.70 118.41 1v95 s SER 12 Ca 0.01 -0.11 -0.23 0.00 1.31 0.00 0.00 55.95 56.94 1v95 s SER 12 Cb -0.12 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 1v95 s SER 12 CO -0.06 0.01 0.75 -0.69 0.41 0.00 0.00 173.24 173.66 1v95 s VAL 13 N 1.36 4.86 -0.50 3.43 1.01 -0.22 0.73 120.40 131.07 1v95 s VAL 13 Ca 0.05 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 1v95 s VAL 13 Cb -0.15 -4.08 0.10 0.00 0.00 0.00 0.00 36.38 32.25 1v95 s VAL 13 CO 0.04 -0.14 0.43 -0.63 0.00 0.00 0.00 175.10 174.81 1v95 s ILE 14 N 2.80 5.14 -0.44 2.22 -1.09 0.49 0.30 121.20 130.61 1v95 s ILE 14 Ca 0.31 -1.29 -0.05 0.00 -2.23 0.00 0.00 60.65 57.39 1v95 s ILE 14 Cb -0.15 -4.18 0.12 0.00 -1.58 0.00 0.00 42.46 36.67 1v95 s ILE 14 CO 0.10 -0.71 0.27 0.54 -1.23 0.00 0.00 174.94 173.91 1v95 s VAL 15 N 1.60 3.62 -1.37 2.92 0.11 -0.61 -0.08 120.40 126.59 1v95 s VAL 15 Ca 0.04 -2.02 -0.09 0.00 -2.93 0.00 0.00 61.98 56.97 1v95 s VAL 15 Cb -0.27 -3.44 -0.12 0.00 -1.53 0.00 0.00 36.38 31.02 1v95 s VAL 15 CO 0.05 -0.73 3.07 1.33 -3.33 0.00 0.00 175.10 175.49 1v95 n VAL 16 N 4.63 4.12 -2.83 2.04 0.24 -1.24 -2.71 118.33 122.58 1v95 n VAL 16 Ca -0.03 -2.41 0.00 0.00 -2.04 0.00 0.00 64.34 59.86 1v95 n VAL 16 Cb 0.41 -2.52 0.00 0.00 -1.47 0.00 0.00 33.84 30.26 1v95 n VAL 16 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1v95 n ASN 17 N 3.41 0.00 0.00 -1.34 4.13 -1.26 -4.94 115.26 115.26 1v95 n ASN 17 Ca 0.73 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.99 1v95 n ASN 17 Cb 0.34 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1v95 n ASN 17 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1v95 n LYS 18 N -0.04 0.00 -0.33 3.52 4.76 -1.26 -4.49 118.16 120.32 1v95 n LYS 18 Ca 0.00 0.00 0.22 0.00 -2.87 0.00 0.00 58.31 55.66 1v95 n LYS 18 Cb 0.00 -0.74 0.41 0.00 -1.84 0.00 0.00 35.03 32.86 1v95 n LYS 18 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1v95 n GLN 19 N -2.56 -0.07 -1.51 1.97 0.00 -1.26 0.75 117.38 114.70 1v95 n GLN 19 Ca 0.00 1.41 -0.28 0.00 -0.00 0.00 0.00 57.00 58.14 1v95 n GLN 19 Cb 0.42 -2.36 -0.06 0.00 0.00 0.00 0.00 30.24 28.24 1v95 n GLN 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1v95 n THR 20 N -5.35 3.64 -0.07 1.69 -2.24 -1.26 -4.43 114.28 106.26 1v95 n THR 20 Ca 0.29 -3.04 -0.08 0.00 -2.27 0.00 0.00 64.05 58.95 1v95 n THR 20 Cb 0.97 -1.75 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 1v95 n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1v95 h LYS 21 N 3.32 0.00 -0.28 -0.78 3.64 0.01 -2.80 116.57 119.69 1v95 h LYS 21 Ca 0.43 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1v95 h LYS 21 Cb 0.73 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1v95 h LYS 21 CO 0.92 0.34 0.12 -0.44 -2.27 0.00 0.00 179.45 178.12 1v95 h ASP 22 N -1.00 0.38 0.70 4.20 3.32 -1.82 0.96 116.42 123.16 1v95 h ASP 22 Ca -0.07 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1v95 h ASP 22 Cb 0.60 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1v95 h ASP 22 CO -0.04 0.43 -0.45 0.22 -1.72 0.00 0.00 179.24 177.67 1v95 h TYR 23 N 0.30 -1.22 -0.97 4.55 5.03 -1.85 -2.09 116.97 120.72 1v95 h TYR 23 Ca 0.09 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.56 1v95 h TYR 23 Cb 0.16 0.44 -0.09 0.00 1.55 0.00 0.00 36.73 38.79 1v95 h TYR 23 CO -0.01 -0.67 0.61 0.00 -1.32 0.00 0.00 178.16 176.77 1v95 h ALA 24 N -1.21 1.76 0.00 1.82 0.00 -1.48 1.25 119.26 121.39 1v95 h ALA 24 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1v95 h ALA 24 Cb 0.88 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1v95 h ALA 24 CO 0.08 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.65 1v95 n GLU 25 N -4.65 0.03 0.00 0.00 1.02 0.33 -2.02 120.64 115.34 1v95 n GLU 25 Ca 0.21 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1v95 n GLU 25 Cb 0.53 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1v95 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1v95 n SER 26 N -1.62 0.00 -0.61 1.62 2.88 0.43 -2.77 113.62 113.54 1v95 n SER 26 Ca 0.01 0.24 0.49 0.00 -1.33 0.00 0.00 58.87 58.28 1v95 n SER 26 Cb 0.07 -0.46 0.80 0.00 -0.75 0.00 0.00 64.21 63.87 1v95 n SER 26 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1v95 h VAL 27 N 0.00 0.10 -0.02 2.46 3.04 -1.46 1.70 116.25 122.07 1v95 h VAL 27 Ca 0.00 -0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 1v95 h VAL 27 Cb 0.00 0.09 0.01 0.00 -2.01 0.00 0.00 31.29 29.38 1v95 h VAL 27 CO 0.00 0.00 -0.41 1.23 -1.01 0.00 0.00 177.57 177.38 1v95 h GLY 28 N 0.01 0.35 2.00 3.17 0.00 -1.57 -3.12 103.07 103.90 1v95 h GLY 28 Ca 0.86 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 1v95 h GLY 28 CO -0.05 0.51 -0.48 0.07 0.00 0.00 0.00 176.54 176.60 1v95 h ARG 29 N -0.24 0.00 -0.91 4.80 0.11 0.23 -2.77 114.38 115.60 1v95 h ARG 29 Ca -0.05 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.04 1v95 h ARG 29 Cb 1.12 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.16 1v95 h ARG 29 CO 0.08 0.48 0.60 0.87 0.10 0.00 0.00 179.97 182.10 1v95 h LYS 30 N 0.00 1.19 0.00 0.08 1.79 0.58 0.70 116.57 120.91 1v95 h LYS 30 Ca -0.00 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.32 1v95 h LYS 30 Cb 0.89 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1v95 h LYS 30 CO 0.06 0.79 -0.37 0.28 -1.08 0.00 0.00 179.45 179.13 1v95 h VAL 31 N 1.23 0.99 -0.05 0.50 2.07 -1.43 -2.64 116.25 116.92 1v95 h VAL 31 Ca 0.33 -1.42 -0.16 0.00 0.82 0.00 0.00 66.70 66.28 1v95 h VAL 31 Cb -0.14 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1v95 h VAL 31 CO -0.07 0.36 -0.69 0.03 0.02 0.00 0.00 177.57 177.22 1v95 h ARG 32 N 0.00 0.25 0.00 1.57 3.08 -0.81 -2.60 114.38 115.86 1v95 h ARG 32 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1v95 h ARG 32 Cb 0.80 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1v95 h ARG 32 CO 0.05 0.84 0.00 0.22 -1.07 0.00 0.00 179.97 180.01 1v95 h ASP 33 N 0.17 0.00 0.51 7.04 3.58 -0.69 0.82 116.42 127.84 1v95 h ASP 33 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1v95 h ASP 33 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1v95 h ASP 33 CO 0.11 0.00 -0.68 0.18 -2.88 0.00 0.00 179.24 175.96 1v95 n LEU 34 N -2.72 0.60 -0.01 2.28 4.77 -1.01 -4.93 117.00 115.98 1v95 n LEU 34 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1v95 n LEU 34 Cb 0.06 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1v95 n LEU 34 CO 0.16 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1v95 n GLY 35 N 1.44 1.64 3.38 -0.72 0.00 0.28 -5.10 105.19 106.11 1v95 n GLY 35 Ca 0.04 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1v95 n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v95 s MET 36 N -1.35 2.91 -0.07 1.61 1.00 -1.04 -5.01 119.30 117.35 1v95 s MET 36 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 55.69 54.65 1v95 s MET 36 Cb 0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 34.83 32.34 1v95 s MET 36 CO 0.00 0.38 1.69 0.08 0.00 0.00 0.00 175.02 177.17 1v95 s VAL 37 N -0.11 3.53 0.08 -6.03 1.01 -1.26 -3.50 120.40 114.12 1v95 s VAL 37 Ca -0.03 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.64 1v95 s VAL 37 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1v95 s VAL 37 CO 0.04 -0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.22 1v95 s VAL 38 N 4.31 1.21 0.19 2.92 1.01 -1.26 -0.93 120.40 127.85 1v95 s VAL 38 Ca 0.75 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1v95 s VAL 38 Cb -0.33 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1v95 s VAL 38 CO 0.31 -0.26 0.22 -0.62 0.00 0.00 0.00 175.10 174.76 1v95 s ASP 39 N -1.92 0.10 -0.10 3.32 2.15 -1.01 -4.98 116.67 114.23 1v95 s ASP 39 Ca 0.01 -1.16 0.02 0.00 0.43 0.00 0.00 52.55 51.85 1v95 s ASP 39 Cb -0.09 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 42.94 1v95 s ASP 39 CO 0.03 -0.90 -0.18 -0.76 -0.17 0.00 0.00 175.17 173.19 1v95 s LEU 40 N -3.08 2.47 -0.33 -1.34 1.02 -1.26 -1.06 118.68 115.10 1v95 s LEU 40 Ca 0.29 -0.39 -0.02 0.00 0.02 0.00 0.00 54.13 54.03 1v95 s LEU 40 Cb 0.05 -1.52 0.07 0.00 0.02 0.00 0.00 46.19 44.81 1v95 s LEU 40 CO 0.08 0.20 0.06 -0.63 0.02 0.00 0.00 176.35 176.08 1v95 s ILE 41 N 0.11 3.01 -0.26 -0.59 1.01 0.15 -4.93 121.20 119.69 1v95 s ILE 41 Ca -0.08 -1.66 -0.17 0.00 0.00 0.00 0.00 60.65 58.74 1v95 s ILE 41 Cb -0.15 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1v95 s ILE 41 CO 0.05 -0.31 0.48 -0.36 0.00 0.00 0.00 174.94 174.80 1v95 s PHE 42 N 1.19 3.28 -1.03 3.97 0.08 -1.26 -1.57 117.98 122.64 1v95 s PHE 42 Ca -0.00 0.60 -0.05 0.00 0.12 0.00 0.00 56.93 57.61 1v95 s PHE 42 Cb -0.21 -2.68 0.28 0.00 -0.57 0.00 0.00 43.02 39.84 1v95 s PHE 42 CO -0.03 -0.25 1.15 1.28 -0.10 0.00 0.00 175.22 177.28 1v95 n LEU 43 N 5.40 5.44 -3.55 -0.37 4.77 -1.10 -4.94 117.00 122.65 1v95 n LEU 43 Ca -0.05 -5.15 -0.40 0.00 -0.03 0.00 0.00 56.01 50.37 1v95 n LEU 43 Cb 0.50 -1.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.26 1v95 n LEU 43 CO 0.40 1.57 2.04 -3.20 -1.33 0.00 0.00 177.39 176.87 1v95 n ASN 44 N 1.99 2.53 -3.97 -1.43 5.15 -1.26 -4.06 115.26 114.21 1v95 n ASN 44 Ca 0.25 -2.61 -0.32 0.00 -0.60 0.00 0.00 54.58 51.30 1v95 n ASN 44 Cb 0.37 -1.03 0.01 0.00 -0.53 0.00 0.00 39.78 38.60 1v95 n ASN 44 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1v95 n THR 45 N 5.91 -1.66 -0.04 -0.44 -1.04 -1.26 -4.89 114.28 110.86 1v95 n THR 45 Ca 0.48 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.47 1v95 n THR 45 Cb 0.37 -2.45 -0.00 0.00 -1.82 0.00 0.00 70.33 66.43 1v95 n THR 45 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1v95 h GLU 46 N -1.86 0.00 0.00 -2.82 4.22 -1.94 -3.50 114.58 108.68 1v95 h GLU 46 Ca -0.57 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.87 1v95 h GLU 46 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1v95 h GLU 46 CO 0.70 0.00 0.00 0.28 -2.18 0.00 0.00 179.01 177.81 1v95 n VAL 47 N -4.06 0.00 -4.19 0.32 0.31 -1.26 -5.16 118.33 104.29 1v95 n VAL 47 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 1v95 n VAL 47 Cb 0.07 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.93 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1v95 s SER 48 N 1.09 4.86 0.17 4.52 0.01 -1.26 -5.02 113.70 118.08 1v95 s SER 48 Ca 0.00 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 56.67 1v95 s SER 48 Cb 0.00 -1.07 0.07 0.00 0.21 0.00 0.00 66.02 65.23 1v95 s SER 48 CO 0.00 0.09 1.58 0.25 0.41 0.00 0.00 173.24 175.57 1v95 h LEU 49 N 2.69 -1.25 -0.83 2.44 6.46 -2.00 0.23 115.31 123.05 1v95 h LEU 49 Ca -0.47 0.22 0.19 0.00 -0.12 0.00 0.00 57.88 57.70 1v95 h LEU 49 Cb 1.20 0.59 -0.15 0.00 -0.73 0.00 0.00 40.66 41.57 1v95 h LEU 49 CO 0.59 -0.33 -0.02 0.77 -0.62 0.00 0.00 178.44 178.83 1v95 h SER 50 N -0.23 -0.45 -1.20 1.25 4.64 -1.98 1.44 113.55 117.02 1v95 h SER 50 Ca 0.19 0.23 0.35 0.00 -0.47 0.00 0.00 61.79 62.08 1v95 h SER 50 Cb 0.56 0.41 -0.06 0.00 -0.31 0.00 0.00 62.40 62.99 1v95 h SER 50 CO -0.63 -0.23 0.85 -0.61 -0.87 0.00 0.00 176.83 175.34 1v95 h GLN 51 N 0.07 0.07 0.19 4.77 5.75 -0.93 0.86 115.11 125.89 1v95 h GLN 51 Ca 0.46 -0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.62 1v95 h GLN 51 Cb 0.83 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.37 1v95 h GLN 51 CO -0.76 0.05 -1.59 0.00 -2.65 0.00 0.00 178.83 173.88 1v95 h ALA 52 N 1.44 0.08 -0.66 3.38 0.00 0.21 -3.25 119.26 120.45 1v95 h ALA 52 Ca 0.60 -1.03 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1v95 h ALA 52 Cb 2.22 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 20.25 1v95 h ALA 52 CO -0.08 0.94 0.36 -0.07 0.00 0.00 0.00 179.25 180.41 1v95 h LEU 53 N 0.11 0.54 -1.23 0.00 3.38 0.19 -0.01 115.31 118.28 1v95 h LEU 53 Ca -0.28 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1v95 h LEU 53 Cb 2.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.72 1v95 h LEU 53 CO 0.21 0.35 0.55 -0.08 0.09 0.00 0.00 178.44 179.55 1v95 h GLU 54 N 0.67 0.91 -0.15 1.13 4.81 -0.79 0.63 114.58 121.79 1v95 h GLU 54 Ca 0.29 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1v95 h GLU 54 Cb 0.18 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1v95 h GLU 54 CO -0.18 0.60 -0.39 0.22 -0.73 0.00 0.00 179.01 178.53 1v95 h ASP 55 N 0.94 0.35 -0.69 1.04 1.82 -1.11 1.51 116.42 120.28 1v95 h ASP 55 Ca 0.36 -0.14 -0.07 0.00 -0.39 0.00 0.00 57.03 56.78 1v95 h ASP 55 Cb 0.19 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1v95 h ASP 55 CO -0.12 0.71 0.15 0.58 -1.61 0.00 0.00 179.24 178.95 1v95 h VAL 56 N 0.28 1.26 0.00 2.25 2.07 0.70 1.19 116.25 124.01 1v95 h VAL 56 Ca 0.03 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 1v95 h VAL 56 Cb 0.81 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1v95 h VAL 56 CO 0.06 0.38 -0.37 -1.28 0.02 0.00 0.00 177.57 176.38 1v95 h SER 57 N 1.05 0.00 0.34 0.57 0.87 -0.88 0.71 113.55 116.21 1v95 h SER 57 Ca 0.21 -0.75 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1v95 h SER 57 Cb 0.39 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1v95 h SER 57 CO 0.01 1.09 -0.05 0.08 -0.53 0.00 0.00 176.83 177.42 1v95 h ARG 58 N -1.00 0.00 0.05 2.24 -0.00 0.21 -1.83 114.38 114.04 1v95 h ARG 58 Ca -0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 59.60 1v95 h ARG 58 Cb 0.99 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.93 1v95 h ARG 58 CO -0.06 0.05 -1.48 0.78 -0.00 0.00 0.00 179.97 179.26 1v95 h GLY 59 N 0.73 0.11 0.00 0.08 0.00 0.14 -3.49 103.07 100.64 1v95 h GLY 59 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1v95 h GLY 59 CO 0.01 0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1v95 n GLY 60 N 1.56 0.73 3.26 4.60 0.00 -0.69 -4.73 105.19 109.92 1v95 n GLY 60 Ca -0.13 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.29 1v95 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 61 N 0.00 0.97 -0.01 1.61 7.64 0.24 -4.82 113.62 119.25 1v95 n SER 61 Ca 0.00 0.94 -0.16 0.00 1.01 0.00 0.00 58.87 60.66 1v95 n SER 61 Cb 0.00 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.29 1v95 n SER 61 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1v95 h PRO 62 N 5.58 0.36 -6.44 1.43 0.13 -1.69 -3.37 132.00 128.00 1v95 h PRO 62 Ca -0.31 -0.35 -0.63 0.00 -0.87 0.00 0.00 66.00 63.84 1v95 h PRO 62 Cb 1.25 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 1v95 h PRO 62 CO 0.92 1.02 -0.71 -0.06 -0.23 0.00 0.00 178.00 178.94 1v95 s PHE 63 N -3.34 2.74 -0.09 1.56 0.08 -0.76 0.19 117.98 118.35 1v95 s PHE 63 Ca -0.14 -0.17 -0.04 0.00 0.12 0.00 0.00 56.93 56.70 1v95 s PHE 63 Cb 0.03 -1.36 0.05 0.00 -0.57 0.00 0.00 43.02 41.16 1v95 s PHE 63 CO 0.80 0.49 0.18 0.00 -0.10 0.00 0.00 175.22 176.58 1v95 s ALA 64 N -1.55 -0.30 -0.01 5.36 0.00 -0.75 -1.00 121.76 123.51 1v95 s ALA 64 Ca 0.25 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1v95 s ALA 64 Cb -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1v95 s ALA 64 CO 0.16 -0.36 0.34 0.42 0.00 0.00 0.00 175.76 176.32 1v95 s ILE 65 N 1.72 5.16 -0.15 0.00 1.01 0.23 -1.60 121.20 127.58 1v95 s ILE 65 Ca -0.04 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 1v95 s ILE 65 Cb -0.12 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1v95 s ILE 65 CO -0.07 0.51 -0.02 0.54 0.00 0.00 0.00 174.94 175.91 1v95 s VAL 66 N -1.15 4.10 0.11 2.92 0.11 -0.87 0.18 120.40 125.80 1v95 s VAL 66 Ca 0.24 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.08 1v95 s VAL 66 Cb -0.15 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1v95 s VAL 66 CO 0.13 0.51 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.58 1v95 s ILE 67 N 0.12 1.65 -0.15 7.04 -1.09 0.88 -3.32 121.20 126.33 1v95 s ILE 67 Ca 0.00 -1.58 -0.34 0.00 -2.23 0.00 0.00 60.65 56.51 1v95 s ILE 67 Cb -0.13 -1.55 0.13 0.00 -1.58 0.00 0.00 42.46 39.33 1v95 s ILE 67 CO 0.02 -0.12 1.19 0.28 -1.23 0.00 0.00 174.94 175.08 1v95 s THR 68 N -1.33 0.00 0.07 2.92 -1.32 -1.26 -3.65 115.64 111.07 1v95 s THR 68 Ca 0.07 -0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.37 1v95 s THR 68 Cb -0.09 -1.15 -0.03 0.00 -1.51 0.00 0.00 72.50 69.72 1v95 s THR 68 CO 0.04 0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.62 1v95 n GLN 69 N -0.16 -0.20 0.08 7.08 6.02 -1.26 0.15 117.38 129.09 1v95 n GLN 69 Ca -0.01 1.15 -0.13 0.00 -0.01 0.00 0.00 57.00 58.00 1v95 n GLN 69 Cb 0.59 -1.71 -0.08 0.00 1.02 0.00 0.00 30.24 30.06 1v95 n GLN 69 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1v95 h GLN 70 N 0.00 -0.56 -1.27 -1.09 4.15 -1.98 0.63 115.11 115.00 1v95 h GLN 70 Ca 0.07 0.04 0.46 0.00 0.77 0.00 0.00 58.65 59.99 1v95 h GLN 70 Cb 0.19 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 27.86 1v95 h GLN 70 CO -0.43 -0.37 0.79 0.72 -1.93 0.00 0.00 178.83 177.60 1v95 n HIS 71 N -4.80 0.83 0.05 3.99 8.25 -0.42 0.18 115.22 123.31 1v95 n HIS 71 Ca -0.06 0.83 -0.13 0.00 -0.26 0.00 0.00 57.72 58.10 1v95 n HIS 71 Cb 0.32 -1.26 -0.08 0.00 1.12 0.00 0.00 29.99 30.09 1v95 n HIS 71 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1v95 h GLN 72 N 0.00 -0.07 0.29 -0.41 4.15 0.21 1.56 115.11 120.84 1v95 h GLN 72 Ca 0.87 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 60.28 1v95 h GLN 72 Cb 2.67 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 30.37 1v95 h GLN 72 CO -0.55 0.06 -0.23 0.82 -1.93 0.00 0.00 178.83 177.00 1v95 h ILE 73 N -0.19 0.00 0.00 2.39 2.04 0.25 -1.24 117.51 120.76 1v95 h ILE 73 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1v95 h ILE 73 Cb 0.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1v95 h ILE 73 CO 0.01 0.00 0.00 0.45 0.00 0.00 0.00 178.15 178.61 1v95 h HIS 74 N -0.51 0.00 -3.78 1.37 3.86 -1.29 -3.45 115.15 111.35 1v95 h HIS 74 Ca -0.04 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.80 1v95 h HIS 74 Cb 0.43 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.94 1v95 h HIS 74 CO -0.08 0.00 -0.54 0.54 0.86 0.00 0.00 177.93 178.71 1v95 n ARG 75 N -2.71 -3.80 -4.82 2.45 1.74 0.50 -4.99 116.66 105.03 1v95 n ARG 75 Ca -0.02 0.85 -0.27 0.00 -0.77 0.00 0.00 57.85 57.65 1v95 n ARG 75 Cb 0.09 -5.51 -0.15 0.00 -1.02 0.00 0.00 32.46 25.87 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v95 s SER 76 N -2.60 2.59 0.46 0.55 1.04 0.61 -4.16 113.70 112.20 1v95 s SER 76 Ca 0.21 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1v95 s SER 76 Cb -0.09 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 1v95 s SER 76 CO 0.26 0.21 0.02 0.00 0.98 0.00 0.00 173.24 174.71 1v95 s THR 78 N -2.87 2.66 -0.37 0.00 2.01 -1.21 -3.03 115.64 112.83 1v95 s THR 78 Ca 0.17 -1.15 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 1v95 s THR 78 Cb 0.04 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1v95 s THR 78 CO 0.09 0.17 0.64 -0.69 -0.69 0.00 0.00 174.62 174.15 1v95 s VAL 79 N 1.28 4.87 -0.23 3.82 1.01 -1.21 -2.05 120.40 127.89 1v95 s VAL 79 Ca -0.01 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1v95 s VAL 79 Cb -0.17 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1v95 s VAL 79 CO -0.05 -0.38 -0.04 0.20 0.00 0.00 0.00 175.10 174.82 1v95 s ASN 80 N 1.85 4.34 0.23 3.32 0.01 -0.62 -2.72 114.94 121.35 1v95 s ASN 80 Ca 0.24 -0.55 -0.21 0.00 -0.71 0.00 0.00 52.86 51.64 1v95 s ASN 80 Cb -0.14 -1.73 -0.08 0.00 0.41 0.00 0.00 41.25 39.71 1v95 s ASN 80 CO 0.16 -0.06 0.76 -0.63 -1.51 0.00 0.00 177.10 175.81 1v95 s ILE 81 N 1.44 4.51 -0.10 0.60 1.01 -1.21 -1.81 121.20 125.64 1v95 s ILE 81 Ca 0.04 1.38 0.11 0.00 0.00 0.00 0.00 60.65 62.19 1v95 s ILE 81 Cb -0.15 -3.89 -0.16 0.00 0.01 0.00 0.00 42.46 38.26 1v95 s ILE 81 CO -0.03 0.21 0.09 0.23 0.00 0.00 0.00 174.94 175.44 1v95 n MET 82 N 0.74 1.68 -3.93 2.79 2.81 0.49 -4.63 117.12 117.07 1v95 n MET 82 Ca -0.02 -0.03 -0.31 0.00 -1.81 0.00 0.00 57.70 55.53 1v95 n MET 82 Cb 0.51 -1.32 -0.04 0.00 -0.71 0.00 0.00 33.22 31.66 1v95 n MET 82 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1v95 s PHE 83 N -2.42 3.49 0.00 2.03 -0.12 -1.26 -4.99 117.98 114.72 1v95 s PHE 83 Ca -0.06 0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 1v95 s PHE 83 Cb 0.05 -1.76 0.00 0.00 -0.63 0.00 0.00 43.02 40.68 1v95 s PHE 83 CO 0.51 0.59 0.00 0.41 -0.05 0.00 0.00 175.22 176.69 1v95 n GLY 84 N 0.43 -1.23 3.55 1.99 0.00 -1.26 -4.84 105.19 103.83 1v95 n GLY 84 Ca -0.06 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1v95 n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v95 n THR 85 N -0.39 2.51 -2.31 2.61 -1.04 -1.26 -4.83 114.28 109.57 1v95 n THR 85 Ca 0.00 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.11 1v95 n THR 85 Cb 0.00 -0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1v95 n THR 85 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1v95 s PRO 86 N -2.08 2.99 -0.28 -2.82 0.04 -1.26 -4.91 135.00 126.67 1v95 s PRO 86 Ca 0.67 0.27 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 1v95 s PRO 86 Cb -0.52 -4.25 0.05 0.00 0.04 0.00 0.00 34.50 29.82 1v95 s PRO 86 CO 0.55 -2.33 -0.04 -0.65 0.04 0.00 0.00 177.00 174.57 1v95 s GLN 87 N 6.21 2.42 -0.46 4.56 -1.52 -1.26 -5.07 119.66 124.54 1v95 s GLN 87 Ca 0.52 -1.26 -0.12 0.00 -1.95 0.00 0.00 55.36 52.55 1v95 s GLN 87 Cb -0.11 -3.09 0.09 0.00 -0.22 0.00 0.00 33.01 29.69 1v95 s GLN 87 CO 0.20 -0.59 0.34 -2.00 -0.25 0.00 0.00 175.29 172.99 1v95 s GLU 88 N 1.22 2.71 -0.43 2.91 2.12 -1.26 -3.36 118.70 122.61 1v95 s GLU 88 Ca -0.06 -1.53 -0.23 0.00 0.36 0.00 0.00 54.97 53.51 1v95 s GLU 88 Cb -0.20 -3.96 0.02 0.00 0.26 0.00 0.00 34.13 30.26 1v95 s GLU 88 CO -0.02 -1.07 0.79 -1.01 -0.54 0.00 0.00 175.26 173.41 1v95 s HIS 89 N 1.48 3.01 -0.19 5.30 3.76 -1.10 -5.03 115.29 122.53 1v95 s HIS 89 Ca 0.04 0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 55.13 1v95 s HIS 89 Cb -0.25 -3.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.77 1v95 s HIS 89 CO 0.03 -0.94 0.08 1.03 -0.85 0.00 0.00 174.74 174.08 1v95 s ARG 90 N 3.28 3.98 -0.25 1.40 0.52 -1.26 -3.28 118.95 123.33 1v95 s ARG 90 Ca 0.31 -0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 55.12 1v95 s ARG 90 Cb -0.12 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.10 1v95 s ARG 90 CO 0.22 0.23 0.12 -1.71 0.02 0.00 0.00 175.30 174.18 1v95 n ASN 91 N 3.68 -4.41 -3.86 0.23 2.85 -1.26 -5.05 115.26 107.44 1v95 n ASN 91 Ca -0.16 1.40 -0.14 0.00 -0.11 0.00 0.00 54.58 55.57 1v95 n ASN 91 Cb 0.52 -5.33 -0.15 0.00 1.24 0.00 0.00 39.78 36.06 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1v95 s MET 92 N -1.19 0.11 0.25 1.20 -1.94 -1.17 -5.03 119.30 111.54 1v95 s MET 92 Ca -0.14 0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 53.55 1v95 s MET 92 Cb 0.01 -0.18 -0.09 0.00 2.01 0.00 0.00 34.83 36.58 1v95 s MET 92 CO 0.80 -0.03 1.09 -1.25 -0.01 0.00 0.00 175.02 175.62 1v95 s PRO 93 N 0.29 4.65 0.09 2.03 0.04 -1.26 -2.99 135.00 137.84 1v95 s PRO 93 Ca -0.02 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 1v95 s PRO 93 Cb -0.04 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1v95 s PRO 93 CO -0.01 0.20 1.25 1.04 0.04 0.00 0.00 177.00 179.52 1v95 n GLN 94 N 1.49 -0.24 -0.35 4.56 3.00 -1.26 0.87 117.38 125.45 1v95 n GLN 94 Ca -0.00 1.23 0.07 0.00 -0.01 0.00 0.00 57.00 58.29 1v95 n GLN 94 Cb 0.45 -1.82 0.16 0.00 0.00 0.00 0.00 30.24 29.03 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v95 n ALA 95 N -3.14 0.27 0.38 -1.58 0.00 -1.26 0.16 120.51 115.34 1v95 n ALA 95 Ca 0.01 1.08 -0.17 0.00 0.00 0.00 0.00 53.44 54.36 1v95 n ALA 95 Cb 0.14 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1v95 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v95 h ASP 96 N 0.00 -0.83 -0.89 0.00 5.19 -0.06 -1.49 116.42 118.33 1v95 h ASP 96 Ca 0.49 0.00 0.23 0.00 -0.62 0.00 0.00 57.03 57.14 1v95 h ASP 96 Cb 0.78 0.21 -0.13 0.00 0.18 0.00 0.00 39.33 40.37 1v95 h ASP 96 CO -1.00 -0.51 0.33 0.00 -3.12 0.00 0.00 179.24 174.94 1v95 h ALA 97 N -0.96 1.40 0.00 3.45 0.00 0.42 1.74 119.26 125.31 1v95 h ALA 97 Ca -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1v95 h ALA 97 Cb 0.77 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1v95 h ALA 97 CO 0.16 -0.42 -0.13 0.52 0.00 0.00 0.00 179.25 179.39 1v95 h MET 98 N 0.30 0.00 0.17 0.00 2.86 0.18 0.24 114.93 118.68 1v95 h MET 98 Ca 0.57 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.92 1v95 h MET 98 Cb 1.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.80 1v95 h MET 98 CO -0.59 0.13 -1.38 -0.24 1.06 0.00 0.00 176.91 175.89 1v95 h VAL 99 N 0.00 1.16 0.00 -2.22 3.04 0.32 0.15 116.25 118.70 1v95 h VAL 99 Ca -0.00 -2.51 -0.03 0.00 -1.01 0.00 0.00 66.70 63.14 1v95 h VAL 99 Cb 0.24 2.90 -0.00 0.00 -2.01 0.00 0.00 31.29 32.42 1v95 h VAL 99 CO 0.02 0.76 -0.16 0.25 -1.01 0.00 0.00 177.57 177.43 1v95 h LEU 100 N -0.14 0.00 0.01 3.16 6.46 0.12 1.05 115.31 125.97 1v95 h LEU 100 Ca -0.27 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.31 1v95 h LEU 100 Cb 1.90 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.80 1v95 h LEU 100 CO 0.15 0.16 -0.96 1.62 -0.62 0.00 0.00 178.44 178.80 1v95 h VAL 101 N 0.00 1.14 -0.39 1.05 3.04 -0.60 -2.53 116.25 117.95 1v95 h VAL 101 Ca -0.00 -2.23 -0.01 0.00 -1.01 0.00 0.00 66.70 63.45 1v95 h VAL 101 Cb 0.32 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 32.11 1v95 h VAL 101 CO 0.02 0.41 0.22 0.00 -1.01 0.00 0.00 177.57 177.21 1v95 h ALA 102 N -0.35 1.65 0.12 3.17 0.00 -0.53 0.42 119.26 123.74 1v95 h ALA 102 Ca -0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1v95 h ALA 102 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1v95 h ALA 102 CO -0.15 0.30 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 1v95 h ARG 103 N 0.54 -0.16 -0.25 0.00 2.47 0.10 -2.95 114.38 114.13 1v95 h ARG 103 Ca 0.14 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.93 1v95 h ARG 103 Cb 0.01 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.29 1v95 h ARG 103 CO -0.02 -0.11 -0.40 -0.91 0.56 0.00 0.00 179.97 179.09 1v95 h ASN 104 N -0.36 -1.29 -0.92 7.04 2.35 -1.41 -1.71 115.58 119.27 1v95 h ASN 104 Ca -0.02 0.19 0.11 0.00 -0.55 0.00 0.00 56.30 56.03 1v95 h ASN 104 Cb 0.13 0.55 -0.12 0.00 0.05 0.00 0.00 38.32 38.92 1v95 h ASN 104 CO 0.03 -0.39 -0.47 0.00 -1.65 0.00 0.00 177.43 174.95 1v95 n TYR 105 N -5.42 -0.24 -0.36 1.19 9.36 0.15 0.12 117.16 121.96 1v95 n TYR 105 Ca -0.02 1.14 -0.06 0.00 3.32 0.00 0.00 57.90 62.28 1v95 n TYR 105 Cb 0.35 -0.68 -0.03 0.00 -0.63 0.00 0.00 39.34 38.36 1v95 n TYR 105 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1v95 h GLU 106 N 0.00 -0.05 0.51 2.98 4.39 -1.13 0.36 114.58 121.65 1v95 h GLU 106 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1v95 h GLU 106 Cb 0.44 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1v95 h GLU 106 CO -0.88 -0.03 -0.24 -0.09 -1.16 0.00 0.00 179.01 176.60 1v95 h ARG 107 N -0.05 -0.66 -0.85 2.33 2.43 -0.32 -3.03 114.38 114.24 1v95 h ARG 107 Ca 0.25 0.04 0.34 0.00 -0.81 0.00 0.00 59.98 59.80 1v95 h ARG 107 Cb 0.52 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 30.07 1v95 h ARG 107 CO -0.91 -0.37 0.40 0.98 -1.51 0.00 0.00 179.97 178.56 1v95 n TYR 108 N -5.25 0.93 0.10 2.20 9.36 0.32 0.20 117.16 125.02 1v95 n TYR 108 Ca -0.10 1.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.99 1v95 n TYR 108 Cb 0.31 -1.38 -0.08 0.00 -0.63 0.00 0.00 39.34 37.56 1v95 n TYR 108 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1v95 h LYS 109 N 0.00 -0.20 -1.17 2.98 1.57 -0.25 0.28 116.57 119.78 1v95 h LYS 109 Ca 0.69 0.01 0.35 0.00 -1.87 0.00 0.00 60.65 59.84 1v95 h LYS 109 Cb 1.80 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 34.04 1v95 h LYS 109 CO -0.67 -0.01 0.75 -2.95 -0.57 0.00 0.00 179.45 176.00 1v95 h ASN 110 N -0.35 0.34 0.82 0.86 7.08 0.24 1.63 115.58 126.20 1v95 h ASN 110 Ca -0.02 0.11 -0.24 0.00 -3.08 0.00 0.00 56.30 53.07 1v95 h ASN 110 Cb 0.28 0.07 -0.03 0.00 -2.08 0.00 0.00 38.32 36.55 1v95 h ASN 110 CO 0.03 -0.05 -1.23 -0.33 -2.08 0.00 0.00 177.43 173.77 1v95 h GLU 111 N 0.24 0.02 0.38 4.14 5.08 -0.73 -3.26 114.58 120.44 1v95 h GLU 111 Ca 0.71 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 59.01 1v95 h GLU 111 Cb 2.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1v95 h GLU 111 CO -0.37 0.87 -0.18 0.00 -1.00 0.00 0.00 179.01 178.33 1v95 h ARG 113 N -0.71 -0.24 -5.66 0.00 -0.00 -0.31 -3.40 114.38 104.07 1v95 h ARG 113 Ca -0.05 0.02 -0.70 0.00 -0.50 0.00 0.00 59.98 58.75 1v95 h ARG 113 Cb 0.50 0.05 -0.05 0.00 0.00 0.00 0.00 29.97 30.47 1v95 h ARG 113 CO 0.09 -0.16 1.38 0.39 0.00 0.00 0.00 179.97 181.67 1v95 n GLU 114 N -5.37 0.00 -1.60 0.04 1.02 -1.19 -4.66 120.64 108.88 1v95 n GLU 114 Ca -0.00 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.52 1v95 n GLU 114 Cb 0.33 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 1v95 n GLU 114 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1v95 n LYS 115 N 7.53 0.11 0.00 3.49 -0.00 -1.26 -4.51 118.16 123.52 1v95 n LYS 115 Ca 0.56 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 1v95 n LYS 115 Cb -0.02 -1.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 1v95 n LYS 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1v95 n GLU 116 N 2.60 0.00 -1.11 -1.58 0.00 -1.26 -5.13 120.64 114.16 1v95 n GLU 116 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 57.01 1v95 n GLU 116 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.45 1v95 n GLU 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1v95 n ARG 117 N -2.08 0.00 -0.87 5.31 1.74 -1.26 -4.81 116.66 114.69 1v95 n ARG 117 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1v95 n ARG 117 Cb 0.00 -0.86 0.09 0.00 -1.02 0.00 0.00 32.46 30.67 1v95 n ARG 117 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v95 n GLU 118 N 0.86 -0.62 -1.01 5.56 1.02 -1.26 -4.89 120.64 120.29 1v95 n GLU 118 Ca 0.14 -0.17 -0.09 0.00 -0.02 0.00 0.00 57.16 57.02 1v95 n GLU 118 Cb 0.17 -1.28 0.17 0.00 -0.02 0.00 0.00 31.44 30.47 1v95 n GLU 118 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v95 n GLU 119 N 0.67 2.12 -2.55 3.49 1.02 -1.26 -4.98 120.64 119.15 1v95 n GLU 119 Ca -0.01 -3.36 -0.43 0.00 -0.02 0.00 0.00 57.16 53.34 1v95 n GLU 119 Cb 0.69 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1v95 n GLU 119 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1v95 s ILE 120 N -3.56 4.11 -0.28 -3.67 1.01 -1.26 -4.27 121.20 113.29 1v95 s ILE 120 Ca 0.46 1.11 -0.03 0.00 0.00 0.00 0.00 60.65 62.19 1v95 s ILE 120 Cb 0.41 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1v95 s ILE 120 CO -0.01 -1.03 0.10 0.00 0.00 0.00 0.00 174.94 174.00 1v95 n ALA 121 N 8.16 -3.14 -1.52 9.38 0.00 -1.26 -4.84 120.51 127.29 1v95 n ALA 121 Ca 0.12 0.49 -0.41 0.00 0.00 0.00 0.00 53.44 53.65 1v95 n ALA 121 Cb 0.49 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.65 1v95 n ALA 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1v95 n ARG 122 N 0.66 0.83 -3.53 0.00 0.63 -1.26 -4.97 116.66 109.01 1v95 n ARG 122 Ca 0.01 0.30 -0.29 0.00 -0.92 0.00 0.00 57.85 56.95 1v95 n ARG 122 Cb 0.17 -1.74 -0.12 0.00 0.45 0.00 0.00 32.46 31.22 1v95 n ARG 122 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1v95 s GLN 123 N -1.85 0.81 0.19 -0.14 2.00 -1.26 -5.11 119.66 114.29 1v95 s GLN 123 Ca 0.65 -1.61 -0.32 0.00 -2.00 0.00 0.00 55.36 52.08 1v95 s GLN 123 Cb -0.56 -1.63 -0.16 0.00 0.80 0.00 0.00 33.01 31.47 1v95 s GLN 123 CO 0.56 -1.21 1.11 0.00 -0.50 0.00 0.00 175.29 175.25 1v95 n ALA 124 N 3.78 -0.87 -3.64 1.58 0.00 -1.26 -4.95 120.51 115.14 1v95 n ALA 124 Ca 0.13 0.46 -0.04 0.00 0.00 0.00 0.00 53.44 53.98 1v95 n ALA 124 Cb 0.37 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 1v95 n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1v95 s SER 125 N -0.13 -0.23 -0.31 0.00 1.04 -1.26 -5.13 113.70 107.67 1v95 s SER 125 Ca 0.71 0.43 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1v95 s SER 125 Cb -0.84 0.57 0.12 0.00 0.10 0.00 0.00 66.02 65.96 1v95 s SER 125 CO 0.54 -0.07 0.19 -0.83 0.98 0.00 0.00 173.24 174.04 1v95 s GLY 126 N 0.33 0.49 1.02 7.32 0.00 -1.26 -5.14 107.32 110.08 1v95 s GLY 126 Ca 0.03 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.37 1v95 s GLY 126 CO -0.12 2.18 1.19 2.56 0.00 0.00 0.00 173.10 178.91 1v95 s PRO 127 N 1.79 0.25 -0.29 2.90 0.04 -1.26 -5.08 135.00 133.35 1v95 s PRO 127 Ca 0.12 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.13 1v95 s PRO 127 Cb -0.18 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.78 1v95 s PRO 127 CO -0.24 -2.74 0.56 -1.54 0.04 0.00 0.00 177.00 173.09 1v95 s SER 128 N -4.27 -1.22 0.08 6.66 1.04 -1.26 -5.16 113.70 109.58 1v95 s SER 128 Ca 0.69 0.44 -0.27 0.00 0.48 0.00 0.00 55.95 57.30 1v95 s SER 128 Cb -0.10 1.95 0.08 0.00 0.10 0.00 0.00 66.02 68.05 1v95 s SER 128 CO 0.54 -0.29 0.89 -0.44 0.98 0.00 0.00 173.24 174.92 1v95 s SER 129 N 2.80 -0.31 0.00 7.02 0.01 -1.26 -5.30 113.70 116.67 1v95 s SER 129 Ca 0.15 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1v95 s SER 129 Cb -0.13 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1v95 s SER 129 CO -0.23 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.24