#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bow s LEU 2 N 0.00 2.03 0.00 6.15 2.96 -1.26 -4.69 118.68 123.87 1bow s LEU 2 Ca 0.00 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1bow s LEU 2 Cb 0.00 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.59 1bow s LEU 2 CO 0.00 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 1bow n GLY 3 N 4.76 1.86 3.42 7.98 0.00 0.93 -4.97 105.19 119.16 1bow n GLY 3 Ca -0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1bow n GLY 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bow s GLU 4 N -1.00 0.71 0.10 1.61 -1.05 -1.26 -5.01 118.70 112.81 1bow s GLU 4 Ca 0.00 0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 55.00 1bow s GLU 4 Cb 0.00 0.34 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 1bow s GLU 4 CO 0.00 -0.14 1.21 0.08 0.95 0.00 0.00 175.26 177.36 1bow s VAL 5 N -0.28 3.87 0.10 1.83 1.01 -1.25 -4.42 120.40 121.25 1bow s VAL 5 Ca -0.04 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.36 1bow s VAL 5 Cb -0.03 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1bow s VAL 5 CO 0.03 0.14 -0.08 -0.36 0.00 0.00 0.00 175.10 174.84 1bow s PHE 6 N 0.75 0.94 -0.24 5.22 0.08 -0.16 -4.94 117.98 119.63 1bow s PHE 6 Ca 0.57 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.81 1bow s PHE 6 Cb -0.31 -0.53 0.04 0.00 -0.57 0.00 0.00 43.02 41.65 1bow s PHE 6 CO 0.31 -0.09 -0.11 0.08 -0.10 0.00 0.00 175.22 175.31 1bow s VAL 7 N -3.23 2.41 0.43 -0.44 1.01 -1.25 0.24 120.40 119.56 1bow s VAL 7 Ca 0.10 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.90 1bow s VAL 7 Cb 0.03 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1bow s VAL 7 CO -0.03 0.19 0.08 -1.48 0.00 0.00 0.00 175.10 173.86 1bow s LEU 8 N 1.23 2.87 -0.41 3.92 2.34 0.49 -4.88 118.68 124.24 1bow s LEU 8 Ca -0.02 -1.31 -0.03 0.00 0.06 0.00 0.00 54.13 52.82 1bow s LEU 8 Cb -0.17 -1.05 0.11 0.00 -0.56 0.00 0.00 46.19 44.52 1bow s LEU 8 CO -0.07 -0.56 0.21 -1.81 -1.06 0.00 0.00 176.35 173.07 1bow s ASP 9 N -3.81 5.28 0.49 1.48 1.11 -1.26 0.40 116.67 120.36 1bow s ASP 9 Ca 0.33 -2.02 -0.08 0.00 0.18 0.00 0.00 52.55 50.95 1bow s ASP 9 Cb 0.07 -1.84 -0.05 0.00 1.07 0.00 0.00 42.92 42.17 1bow s ASP 9 CO 0.17 -0.55 0.84 -1.61 1.18 0.00 0.00 175.17 175.20 1bow s GLU 10 N 1.15 3.64 0.13 8.23 0.41 -0.10 -4.91 118.70 127.25 1bow s GLU 10 Ca 0.08 0.42 -0.00 0.00 -0.41 0.00 0.00 54.97 55.06 1bow s GLU 10 Cb -0.23 -2.31 0.03 0.00 -1.78 0.00 0.00 34.13 29.84 1bow s GLU 10 CO -0.04 -0.23 0.18 0.39 -0.49 0.00 0.00 175.26 175.06 1bow n GLU 11 N -2.06 0.39 -3.77 1.61 -0.58 -1.26 -1.57 120.64 113.40 1bow n GLU 11 Ca 0.02 -0.44 -0.36 0.00 -0.42 0.00 0.00 57.16 55.96 1bow n GLU 11 Cb 0.55 -0.13 -0.07 0.00 -0.57 0.00 0.00 31.44 31.22 1bow n GLU 11 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1bow s GLU 12 N -2.94 3.77 -0.14 3.49 2.12 -1.26 -4.03 118.70 119.71 1bow s GLU 12 Ca 0.11 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 1bow s GLU 12 Cb -0.01 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1bow s GLU 12 CO 0.08 0.59 -0.03 0.42 -0.54 0.00 0.00 175.26 175.77 1bow s ILE 13 N -0.51 3.99 -0.01 -3.70 1.01 -0.97 -4.91 121.20 116.12 1bow s ILE 13 Ca 0.14 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 1bow s ILE 13 Cb -0.12 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 1bow s ILE 13 CO 0.03 0.51 0.54 -0.60 0.00 0.00 0.00 174.94 175.42 1bow s ARG 14 N 0.16 4.23 0.12 2.79 3.52 -1.26 -0.12 118.95 128.39 1bow s ARG 14 Ca -0.01 0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 56.21 1bow s ARG 14 Cb -0.14 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1bow s ARG 14 CO 0.03 0.45 0.05 0.96 -0.81 0.00 0.00 175.30 175.97 1bow s ILE 15 N -0.41 0.11 -0.07 4.11 -4.36 0.18 -0.64 121.20 120.13 1bow s ILE 15 Ca 0.28 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 1bow s ILE 15 Cb -0.18 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1bow s ILE 15 CO 0.16 -0.52 -0.22 -0.63 0.24 0.00 0.00 174.94 173.96 1bow s ILE 16 N -4.03 2.30 0.16 8.37 1.09 -0.43 -1.60 121.20 127.06 1bow s ILE 16 Ca 0.22 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.71 1bow s ILE 16 Cb 0.07 -1.87 -0.00 0.00 -1.06 0.00 0.00 42.46 39.60 1bow s ILE 16 CO 0.00 0.56 0.29 0.00 -0.10 0.00 0.00 174.94 175.70 1bow s GLN 17 N -0.08 1.14 0.23 2.79 -2.07 -0.49 0.11 119.66 121.29 1bow s GLN 17 Ca -0.05 -1.13 -0.04 0.00 -1.82 0.00 0.00 55.36 52.31 1bow s GLN 17 Cb -0.14 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 1bow s GLN 17 CO 0.04 -0.42 0.26 0.95 -1.32 0.00 0.00 175.29 174.81 1bow s THR 18 N -3.95 0.00 0.20 3.63 -4.23 0.77 -0.50 115.64 111.56 1bow s THR 18 Ca 0.15 -1.79 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1bow s THR 18 Cb 0.03 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 1bow s THR 18 CO -0.01 0.00 1.30 -1.61 -0.54 0.00 0.00 174.62 173.76 1bow s GLU 19 N -4.03 4.39 -1.12 3.99 8.01 -1.26 -0.16 118.70 128.52 1bow s GLU 19 Ca 0.33 2.05 -0.07 0.00 0.01 0.00 0.00 54.97 57.29 1bow s GLU 19 Cb 0.04 -3.19 0.28 0.00 -4.31 0.00 0.00 34.13 26.94 1bow s GLU 19 CO 0.12 -0.24 1.36 0.00 0.01 0.00 0.00 175.26 176.51 1bow n ALA 20 N 2.56 4.72 -1.51 5.21 0.00 -0.68 -4.71 120.51 126.09 1bow n ALA 20 Ca 0.06 -4.67 -0.31 0.00 0.00 0.00 0.00 53.44 48.51 1bow n ALA 20 Cb 0.43 -2.50 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 1bow n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bow n GLU 21 N 2.39 0.22 0.00 0.00 1.02 -1.26 -3.55 120.64 119.46 1bow n GLU 21 Ca 0.27 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1bow n GLU 21 Cb 0.36 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1bow n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bow n GLY 22 N 6.15 0.86 2.81 0.62 0.00 -1.26 -4.98 105.19 109.40 1bow n GLY 22 Ca 0.60 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 1bow n GLY 22 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bow n ILE 23 N 0.00 1.28 -4.14 -0.61 3.06 -1.23 -4.46 119.36 113.26 1bow n ILE 23 Ca 0.00 -0.32 -0.14 0.00 -2.50 0.00 0.00 62.75 59.79 1bow n ILE 23 Cb 0.00 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.12 1bow n ILE 23 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1bow s GLY 24 N -0.64 1.52 0.29 4.50 0.00 -1.26 -0.86 107.32 110.87 1bow s GLY 24 Ca 0.58 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1bow s GLY 24 CO 0.46 -1.12 1.71 -2.55 0.00 0.00 0.00 173.10 171.60 1bow h PRO 25 N 2.23 0.42 -0.98 2.90 0.11 -1.94 0.14 132.00 134.87 1bow h PRO 25 Ca -0.29 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 66.05 1bow h PRO 25 Cb 1.24 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 1bow h PRO 25 CO 0.40 0.28 0.66 1.05 -0.21 0.00 0.00 178.00 180.19 1bow h GLU 26 N 0.44 0.27 0.08 1.05 4.11 -1.90 0.82 114.58 119.45 1bow h GLU 26 Ca 0.54 -0.02 -0.25 0.00 0.07 0.00 0.00 59.36 59.70 1bow h GLU 26 Cb 0.99 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1bow h GLU 26 CO -0.50 0.18 -1.19 -0.91 0.07 0.00 0.00 179.01 176.67 1bow h ASN 27 N 0.28 0.25 0.90 3.06 -0.26 -1.14 -3.11 115.58 115.56 1bow h ASN 27 Ca 0.52 -0.28 -0.14 0.00 -0.56 0.00 0.00 56.30 55.83 1bow h ASN 27 Cb 1.51 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 38.67 1bow h ASN 27 CO -0.17 1.22 -0.69 0.58 -1.06 0.00 0.00 177.43 177.31 1bow h VAL 28 N 0.04 1.36 0.00 2.81 2.07 -0.95 -2.89 116.25 118.70 1bow h VAL 28 Ca -0.10 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1bow h VAL 28 Cb 1.90 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 34.05 1bow h VAL 28 CO 0.17 0.67 0.00 0.18 0.02 0.00 0.00 177.57 178.61 1bow n LEU 29 N -3.53 0.38 -0.91 2.57 4.32 0.12 -2.37 117.00 117.59 1bow n LEU 29 Ca -0.00 0.54 0.12 0.00 -0.02 0.00 0.00 56.01 56.64 1bow n LEU 29 Cb 0.72 -0.42 0.27 0.00 -1.62 0.00 0.00 43.42 42.37 1bow n LEU 29 CO 0.43 -0.09 0.72 0.59 -1.22 0.00 0.00 177.39 177.82 1bow n ASN 30 N -1.86 2.73 0.00 -1.43 3.02 -1.09 -4.91 115.26 111.72 1bow n ASN 30 Ca 0.06 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1bow n ASN 30 Cb 0.38 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1bow n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bow n ALA 31 N 1.04 0.00 -2.35 5.41 0.00 -1.00 -5.08 120.51 118.53 1bow n ALA 31 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 1bow n ALA 31 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1bow n ALA 31 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bow s SER 32 N 1.67 1.74 0.00 0.00 1.04 -1.17 -4.95 113.70 112.03 1bow s SER 32 Ca 0.00 -1.30 0.11 0.00 0.48 0.00 0.00 55.95 55.24 1bow s SER 32 Cb 0.00 0.04 0.55 0.00 0.10 0.00 0.00 66.02 66.71 1bow s SER 32 CO 0.00 -0.60 1.24 -1.22 0.98 0.00 0.00 173.24 173.64 1bow n TYR 33 N -0.49 0.00 0.21 5.02 4.01 -1.26 -1.65 117.16 123.01 1bow n TYR 33 Ca -0.03 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.89 1bow n TYR 33 Cb 0.65 -0.28 0.84 0.00 -0.31 0.00 0.00 39.34 40.25 1bow n TYR 33 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1bow h SER 34 N 0.00 0.00 0.37 7.72 0.02 -1.93 -2.12 113.55 117.61 1bow h SER 34 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1bow h SER 34 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1bow h SER 34 CO 0.00 0.00 -0.32 0.11 -1.14 0.00 0.00 176.83 175.48 1bow h LYS 35 N 0.00 -0.68 -0.71 3.45 1.79 -1.71 -2.82 116.57 115.89 1bow h LYS 35 Ca 0.08 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.73 1bow h LYS 35 Cb 0.51 0.15 -0.09 0.00 -1.58 0.00 0.00 32.23 31.22 1bow h LYS 35 CO -0.00 -0.45 0.27 -0.07 -1.08 0.00 0.00 179.45 178.12 1bow h LEU 36 N -0.71 0.24 -0.97 2.94 3.38 -1.63 -1.98 115.31 116.59 1bow h LEU 36 Ca -0.03 0.10 0.30 0.00 0.09 0.00 0.00 57.88 58.34 1bow h LEU 36 Cb 0.62 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.29 1bow h LEU 36 CO -0.03 0.10 0.20 0.50 0.09 0.00 0.00 178.44 179.30 1bow h LYS 37 N 0.42 0.05 -0.92 1.13 3.64 -1.51 0.22 116.57 119.61 1bow h LYS 37 Ca 0.38 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.88 1bow h LYS 37 Cb 0.56 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 1bow h LYS 37 CO -0.38 0.04 0.59 0.87 -2.27 0.00 0.00 179.45 178.29 1bow h LYS 38 N 0.06 0.81 0.00 1.90 6.56 -1.36 -1.47 116.57 123.07 1bow h LYS 38 Ca 0.65 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 60.13 1bow h LYS 38 Cb 1.45 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.91 1bow h LYS 38 CO -0.82 0.54 -0.27 0.74 -2.06 0.00 0.00 179.45 177.57 1bow h PHE 39 N 0.84 0.00 -0.19 -1.35 0.04 -0.67 -3.20 116.94 112.41 1bow h PHE 39 Ca 0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.22 1bow h PHE 39 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1bow h PHE 39 CO -0.00 0.27 0.00 1.51 -0.60 0.00 0.00 178.31 179.49 1bow n ILE 40 N -3.71 1.83 0.36 -0.55 0.13 -0.63 -4.69 119.36 112.09 1bow n ILE 40 Ca -0.01 -1.72 0.10 0.00 -1.10 0.00 0.00 62.75 60.02 1bow n ILE 40 Cb 0.38 -0.04 0.44 0.00 -0.84 0.00 0.00 39.64 39.58 1bow n ILE 40 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1bow n GLU 41 N -0.54 0.13 -0.90 9.51 1.02 -0.77 -5.01 120.64 124.08 1bow n GLU 41 Ca 0.16 0.42 -0.19 0.00 -0.02 0.00 0.00 57.16 57.54 1bow n GLU 41 Cb 0.68 -1.79 0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1bow n GLU 41 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1bow n SER 42 N -2.05 4.68 0.00 1.62 7.64 -1.26 -5.14 113.62 119.11 1bow n SER 42 Ca 0.02 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1bow n SER 42 Cb 0.17 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1bow n SER 42 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bow n ASN 48 N -0.44 0.00 0.07 6.43 5.15 -1.24 -5.18 115.26 120.05 1bow n ASN 48 Ca 0.41 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 54.16 1bow n ASN 48 Cb 1.06 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 40.16 1bow n ASN 48 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1bow h ASN 49 N 0.00 0.60 -3.08 1.20 -1.24 -2.00 -3.47 115.58 107.58 1bow h ASN 49 Ca 0.00 -0.93 -0.56 0.00 0.71 0.00 0.00 56.30 55.52 1bow h ASN 49 Cb 0.00 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 1bow h ASN 49 CO 0.00 1.78 -0.29 -0.94 -1.29 0.00 0.00 177.43 176.69 1bow s SER 50 N -7.27 6.46 0.37 1.15 1.04 -1.26 -4.81 113.70 109.37 1bow s SER 50 Ca -0.17 0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.86 1bow s SER 50 Cb 0.05 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 1bow s SER 50 CO 0.84 -0.01 0.17 -0.72 0.98 0.00 0.00 173.24 174.50 1bow s TYR 51 N -1.78 1.74 0.27 5.02 1.13 -0.93 -4.07 117.35 118.72 1bow s TYR 51 Ca 0.41 -1.38 -0.19 0.00 -1.41 0.00 0.00 57.07 54.49 1bow s TYR 51 Cb -0.12 -1.00 0.07 0.00 -1.10 0.00 0.00 41.96 39.82 1bow s TYR 51 CO 0.27 -0.47 0.93 0.20 -2.51 0.00 0.00 175.55 173.97 1bow s GLY 52 N -3.50 0.21 0.11 5.49 0.00 -0.45 0.40 107.32 109.58 1bow s GLY 52 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 1bow s GLY 52 CO 0.18 1.25 0.01 0.00 0.00 0.00 0.00 173.10 174.55 1bow s ALA 53 N -2.25 0.80 0.02 3.20 0.00 0.17 -1.38 121.76 122.31 1bow s ALA 53 Ca 0.19 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.80 1bow s ALA 53 Cb -0.04 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 1bow s ALA 53 CO 0.08 -0.41 -0.13 0.99 0.00 0.00 0.00 175.76 176.28 1bow s THR 54 N -3.94 1.04 -0.02 0.00 2.01 -0.64 0.20 115.64 114.30 1bow s THR 54 Ca 0.18 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 1bow s THR 54 Cb 0.07 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.70 1bow s THR 54 CO -0.02 0.11 0.33 0.72 -0.69 0.00 0.00 174.62 175.07 1bow s PHE 55 N -0.62 -0.21 0.26 4.92 -0.12 -0.71 -0.02 117.98 121.47 1bow s PHE 55 Ca 0.03 0.33 -0.31 0.00 -0.05 0.00 0.00 56.93 56.93 1bow s PHE 55 Cb -0.07 0.11 -0.13 0.00 -0.63 0.00 0.00 43.02 42.31 1bow s PHE 55 CO 0.00 -0.40 1.44 0.45 -0.05 0.00 0.00 175.22 176.67 1bow n SER 56 N 1.30 3.00 -4.65 1.98 2.88 -1.26 -0.85 113.62 116.02 1bow n SER 56 Ca -0.21 1.15 -0.43 0.00 -1.33 0.00 0.00 58.87 58.05 1bow n SER 56 Cb 0.56 -1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.53 1bow n SER 56 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1bow s PHE 57 N -0.09 3.30 0.10 0.66 5.36 -1.26 -4.77 117.98 121.28 1bow s PHE 57 Ca 0.67 1.37 -0.10 0.00 -0.96 0.00 0.00 56.93 57.91 1bow s PHE 57 Cb -0.61 -3.31 0.01 0.00 -0.34 0.00 0.00 43.02 38.77 1bow s PHE 57 CO 0.50 -0.52 0.24 -0.65 -1.46 0.00 0.00 175.22 173.34 1bow s GLN 58 N 3.22 0.91 -1.29 10.12 -1.52 -1.26 -5.05 119.66 124.79 1bow s GLN 58 Ca 0.43 -0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 52.81 1bow s GLN 58 Cb -0.15 0.37 0.14 0.00 -0.22 0.00 0.00 33.01 33.16 1bow s GLN 58 CO 0.08 -0.31 1.78 -0.35 -0.25 0.00 0.00 175.29 176.23 1bow n PRO 59 N -0.11 3.40 -1.92 2.91 -0.04 -1.26 -4.97 135.00 133.02 1bow n PRO 59 Ca -0.15 -3.47 -0.38 0.00 -0.04 0.00 0.00 63.50 59.45 1bow n PRO 59 Cb 0.63 -3.07 0.02 0.00 -0.04 0.00 0.00 33.50 31.04 1bow n PRO 59 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1bow s TYR 60 N 1.52 2.47 -1.34 0.54 2.02 -1.26 -4.93 117.35 116.38 1bow s TYR 60 Ca 0.43 1.41 0.11 0.00 -0.37 0.00 0.00 57.07 58.66 1bow s TYR 60 Cb 0.06 -3.69 0.14 0.00 -0.40 0.00 0.00 41.96 38.06 1bow s TYR 60 CO -0.00 -2.51 0.95 0.25 -1.57 0.00 0.00 175.55 172.67 1bow n THR 61 N -0.78 0.22 -3.64 -0.71 -2.24 -1.26 -5.01 114.28 100.84 1bow n THR 61 Ca 0.09 -0.61 -0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1bow n THR 61 Cb 0.45 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 1bow n THR 61 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bow s SER 62 N -0.97 -0.04 -0.36 3.42 1.04 -1.26 -5.10 113.70 110.43 1bow s SER 62 Ca 0.16 0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.36 1bow s SER 62 Cb 0.10 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.28 1bow s SER 62 CO 0.15 -0.03 1.00 -0.63 0.98 0.00 0.00 173.24 174.71 1bow s ILE 63 N -0.85 4.52 0.00 -1.02 -1.09 -1.26 -2.47 121.20 119.04 1bow s ILE 63 Ca 0.09 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1bow s ILE 63 Cb -0.02 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1bow s ILE 63 CO -0.09 -0.56 0.00 -0.90 -1.23 0.00 0.00 174.94 172.15 1bow n ASP 64 N 6.91 0.00 0.10 3.58 5.68 -1.26 -4.84 116.55 126.73 1bow n ASP 64 Ca 0.09 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.34 1bow n ASP 64 Cb 0.48 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.50 1bow n ASP 64 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1bow h GLU 65 N 0.00 0.01 -7.06 0.11 5.08 -1.92 -3.45 114.58 107.34 1bow h GLU 65 Ca 0.00 -0.01 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1bow h GLU 65 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bow h GLU 65 CO 0.00 0.79 0.35 -1.64 -1.00 0.00 0.00 179.01 177.51 1bow s MET 66 N -3.23 4.12 -0.25 2.33 -1.94 -1.26 -5.07 119.30 114.00 1bow s MET 66 Ca -0.00 1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 55.01 1bow s MET 66 Cb 0.11 -2.16 0.07 0.00 2.01 0.00 0.00 34.83 34.87 1bow s MET 66 CO 0.79 -0.13 0.61 -0.08 -0.01 0.00 0.00 175.02 176.20 1bow s THR 67 N -2.13 -0.01 0.64 2.05 -1.32 -1.26 -4.58 115.64 109.03 1bow s THR 67 Ca 0.63 0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.98 1bow s THR 67 Cb -0.11 -0.89 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1bow s THR 67 CO 0.15 0.01 1.10 -0.31 -2.21 0.00 0.00 174.62 173.35 1bow s TYR 68 N 1.49 2.72 -0.22 9.09 2.02 -0.04 -4.65 117.35 127.77 1bow s TYR 68 Ca -0.09 1.54 -0.07 0.00 -0.37 0.00 0.00 57.07 58.07 1bow s TYR 68 Cb -0.06 -3.13 -0.11 0.00 -0.40 0.00 0.00 41.96 38.26 1bow s TYR 68 CO -0.17 -1.54 -0.25 -2.13 -1.57 0.00 0.00 175.55 169.89 1bow n ARG 69 N -2.27 0.48 -3.88 -0.62 0.63 0.97 -4.66 116.66 107.31 1bow n ARG 69 Ca 0.10 0.18 -0.11 0.00 -0.92 0.00 0.00 57.85 57.10 1bow n ARG 69 Cb 0.52 -1.32 -0.10 0.00 0.45 0.00 0.00 32.46 32.01 1bow n ARG 69 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1bow s HIS 70 N -2.41 0.07 -0.08 -0.14 3.76 -1.24 -1.69 115.29 113.55 1bow s HIS 70 Ca -0.30 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1bow s HIS 70 Cb 0.10 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.70 1bow s HIS 70 CO 0.41 -0.28 -0.11 0.42 -0.85 0.00 0.00 174.74 174.34 1bow s ILE 71 N -1.40 3.33 0.29 0.60 -1.09 0.77 -1.61 121.20 122.10 1bow s ILE 71 Ca -0.15 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 1bow s ILE 71 Cb -0.08 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1bow s ILE 71 CO 0.01 0.57 0.22 0.72 -1.23 0.00 0.00 174.94 175.23 1bow s PHE 72 N -0.39 1.57 -0.17 3.97 -0.71 -0.48 -0.16 117.98 121.62 1bow s PHE 72 Ca 0.05 -1.54 -0.13 0.00 -1.04 0.00 0.00 56.93 54.26 1bow s PHE 72 Cb -0.12 -0.70 0.05 0.00 -1.21 0.00 0.00 43.02 41.03 1bow s PHE 72 CO 0.02 -0.75 0.43 0.99 -1.34 0.00 0.00 175.22 174.57 1bow s THR 73 N -3.66 -0.01 0.75 -4.49 2.01 0.12 -1.35 115.64 109.02 1bow s THR 73 Ca 0.39 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 1bow s THR 73 Cb 0.04 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 71.99 1bow s THR 73 CO 0.22 0.01 1.17 -2.84 -0.69 0.00 0.00 174.62 172.49 1bow s PRO 74 N 0.62 2.06 0.18 4.92 0.02 -1.26 -1.32 135.00 140.22 1bow s PRO 74 Ca -0.03 1.61 0.01 0.00 0.02 0.00 0.00 61.00 62.61 1bow s PRO 74 Cb -0.05 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1bow s PRO 74 CO -0.04 -1.87 0.04 1.33 -0.33 0.00 0.00 177.00 176.13 1bow n VAL 75 N -3.01 0.00 0.00 3.83 0.24 0.19 -3.60 118.33 115.99 1bow n VAL 75 Ca 0.12 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1bow n VAL 75 Cb 0.51 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1bow n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bow n LEU 76 N 0.00 0.08 0.00 1.34 -0.00 -1.26 -4.85 117.00 112.30 1bow n LEU 76 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1bow n LEU 76 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1bow n LEU 76 CO 0.12 -0.09 0.00 -0.38 -0.00 0.00 0.00 177.39 177.04 1bow n ILE 81 N -1.75 0.00 -2.92 1.47 -0.00 -1.26 -5.21 119.36 109.69 1bow n ILE 81 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.70 1bow n ILE 81 Cb 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 39.67 1bow n ILE 81 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1bow n SER 82 N 0.00 0.47 -2.75 4.38 3.41 -1.26 -4.67 113.62 113.20 1bow n SER 82 Ca 0.00 -1.35 -0.16 0.00 -0.26 0.00 0.00 58.87 57.10 1bow n SER 82 Cb 0.00 -0.11 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1bow n SER 82 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bow n SER 83 N -2.86 -4.57 -4.51 4.04 2.88 -1.26 -5.01 113.62 102.33 1bow n SER 83 Ca 0.04 -0.40 -0.33 0.00 -1.33 0.00 0.00 58.87 56.84 1bow n SER 83 Cb 0.14 -3.81 -0.12 0.00 -0.75 0.00 0.00 64.21 59.67 1bow n SER 83 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1bow s ILE 84 N -3.24 3.50 0.90 2.46 -4.36 -1.26 -5.12 121.20 114.08 1bow s ILE 84 Ca 0.34 -0.54 -0.14 0.00 -0.26 0.00 0.00 60.65 60.05 1bow s ILE 84 Cb -0.15 -2.44 0.15 0.00 1.25 0.00 0.00 42.46 41.27 1bow s ILE 84 CO 0.53 0.57 1.26 0.42 0.24 0.00 0.00 174.94 177.96 1bow s THR 85 N -0.42 2.01 0.00 8.37 -4.23 -1.26 -5.06 115.64 115.05 1bow s THR 85 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1bow s THR 85 Cb -0.12 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1bow s THR 85 CO 0.02 0.00 0.00 -2.65 -0.54 0.00 0.00 174.62 171.45 1bow n PRO 86 N -3.57 1.49 -0.54 3.99 -0.02 -1.26 -3.80 135.00 131.29 1bow n PRO 86 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1bow n PRO 86 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 1bow n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bow n ASP 87 N 0.00 -0.11 -3.76 2.55 5.68 -1.26 -4.81 116.55 114.84 1bow n ASP 87 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1bow n ASP 87 Cb 0.00 -2.38 -0.14 0.00 -1.14 0.00 0.00 41.12 37.45 1bow n ASP 87 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1bow s MET 88 N -0.96 0.09 0.07 0.11 -1.94 -1.25 -4.65 119.30 110.77 1bow s MET 88 Ca 0.00 0.34 0.09 0.00 -1.71 0.00 0.00 55.69 54.41 1bow s MET 88 Cb 0.00 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.66 1bow s MET 88 CO 0.00 -0.15 -0.25 -2.00 -0.01 0.00 0.00 175.02 172.62 1bow s GLU 89 N 1.02 1.74 -0.23 2.03 2.12 0.34 -4.85 118.70 120.87 1bow s GLU 89 Ca -0.08 -1.16 -0.09 0.00 0.36 0.00 0.00 54.97 54.01 1bow s GLU 89 Cb -0.10 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 1bow s GLU 89 CO -0.05 0.50 0.11 0.42 -0.54 0.00 0.00 175.26 175.70 1bow s ILE 90 N -0.91 4.88 0.00 -3.70 1.01 -1.26 -1.40 121.20 119.83 1bow s ILE 90 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1bow s ILE 90 Cb -0.10 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1bow s ILE 90 CO 0.04 0.37 0.00 0.35 0.00 0.00 0.00 174.94 175.70 1bow n THR 91 N 4.32 0.00 -4.19 2.92 -2.24 -0.63 -5.02 114.28 109.44 1bow n THR 91 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 1bow n THR 91 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1bow n THR 91 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bow n THR 92 N 0.00 0.00 -3.83 4.28 -2.24 -1.26 -0.64 114.28 110.59 1bow n THR 92 Ca 0.00 -2.04 -0.29 0.00 -2.27 0.00 0.00 64.05 59.45 1bow n THR 92 Cb 0.00 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 1bow n THR 92 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1bow s ILE 93 N -3.10 2.33 0.27 2.28 1.01 0.83 -4.86 121.20 119.95 1bow s ILE 93 Ca 0.33 -3.63 -0.16 0.00 0.00 0.00 0.00 60.65 57.20 1bow s ILE 93 Cb 0.01 -2.57 -0.11 0.00 0.01 0.00 0.00 42.46 39.80 1bow s ILE 93 CO 0.24 -0.97 0.10 -0.81 0.00 0.00 0.00 174.94 173.50 1bow n PRO 94 N 2.56 0.00 -2.26 2.79 -0.04 -1.26 -2.28 135.00 134.51 1bow n PRO 94 Ca 0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 1bow n PRO 94 Cb 0.36 -0.71 -0.01 0.00 -0.04 0.00 0.00 33.50 33.09 1bow n PRO 94 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1bow s LYS 95 N -0.71 3.89 0.00 0.54 -2.85 -1.26 -4.64 119.74 114.72 1bow s LYS 95 Ca 0.42 1.82 0.00 0.00 -1.00 0.00 0.00 55.97 57.21 1bow s LYS 95 Cb -0.48 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 1bow s LYS 95 CO 0.44 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.84 1bow n GLY 96 N 0.53 -1.23 3.68 0.59 0.00 -0.61 -4.92 105.19 103.23 1bow n GLY 96 Ca 0.06 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1bow n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bow s ARG 97 N -0.82 4.19 0.04 1.61 3.52 -1.26 -0.92 118.95 125.31 1bow s ARG 97 Ca 0.00 0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.84 1bow s ARG 97 Cb 0.00 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1bow s ARG 97 CO 0.00 0.04 -0.23 0.71 -0.81 0.00 0.00 175.30 175.00 1bow s TYR 98 N 1.08 2.05 -0.37 5.12 1.51 0.16 -1.52 117.35 125.40 1bow s TYR 98 Ca 0.18 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.71 1bow s TYR 98 Cb -0.14 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1bow s TYR 98 CO 0.07 0.09 0.31 0.00 -1.11 0.00 0.00 175.55 174.91 1bow s ALA 99 N -0.77 3.49 0.13 3.71 0.00 -0.99 -0.37 121.76 126.95 1bow s ALA 99 Ca 0.09 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.70 1bow s ALA 99 Cb -0.09 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1bow s ALA 99 CO 0.02 -1.19 -0.20 0.00 0.00 0.00 0.00 175.76 174.38 1bow s ILE 101 N -1.19 -0.30 -0.06 0.00 2.07 0.14 -0.99 121.20 120.87 1bow s ILE 101 Ca 0.17 -0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1bow s ILE 101 Cb -0.10 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1bow s ILE 101 CO 0.09 -0.19 -0.01 0.00 -1.91 0.00 0.00 174.94 172.92 1bow s ALA 102 N 2.31 3.25 0.30 1.50 0.00 -1.26 -1.61 121.76 126.24 1bow s ALA 102 Ca 0.06 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1bow s ALA 102 Cb -0.16 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1bow s ALA 102 CO -0.11 0.60 0.63 1.52 0.00 0.00 0.00 175.76 178.39 1bow s TYR 103 N -0.92 0.18 -0.08 0.00 1.13 -0.67 -0.05 117.35 116.94 1bow s TYR 103 Ca 0.15 -0.63 -0.19 0.00 -1.41 0.00 0.00 57.07 54.98 1bow s TYR 103 Cb -0.11 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1bow s TYR 103 CO 0.04 -1.21 0.54 -0.80 -2.51 0.00 0.00 175.55 171.61 1bow s ASN 104 N -3.01 6.80 0.32 -0.18 -0.87 -1.26 -0.72 114.94 116.01 1bow s ASN 104 Ca 0.18 0.95 -0.29 0.00 -1.57 0.00 0.00 52.86 52.13 1bow s ASN 104 Cb -0.03 -2.32 -0.12 0.00 -0.02 0.00 0.00 41.25 38.75 1bow s ASN 104 CO 0.10 0.01 1.43 0.33 -2.57 0.00 0.00 177.10 176.39 1bow n PHE 105 N 3.47 2.56 -3.64 2.20 7.35 0.11 -4.91 117.46 124.59 1bow n PHE 105 Ca -0.06 0.44 -0.03 0.00 -0.76 0.00 0.00 57.45 57.04 1bow n PHE 105 Cb 0.51 -2.49 -0.07 0.00 0.35 0.00 0.00 39.48 37.79 1bow n PHE 105 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1bow s SER 106 N 0.03 -0.46 0.19 -2.13 0.15 -1.26 -4.77 113.70 105.45 1bow s SER 106 Ca 0.59 0.75 -0.18 0.00 0.70 0.00 0.00 55.95 57.81 1bow s SER 106 Cb -0.54 1.12 0.16 0.00 -1.71 0.00 0.00 66.02 65.04 1bow s SER 106 CO 0.57 -0.12 1.61 -0.65 1.20 0.00 0.00 173.24 175.85 1bow h PRO 107 N 5.69 -0.11 -0.76 5.44 0.11 -1.95 0.10 132.00 140.52 1bow h PRO 107 Ca -0.28 0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.97 1bow h PRO 107 Cb 1.19 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 1bow h PRO 107 CO 0.19 -0.07 0.35 0.93 -0.21 0.00 0.00 178.00 179.18 1bow h GLU 108 N -0.11 0.52 -0.09 1.05 5.08 -2.00 -2.96 114.58 116.07 1bow h GLU 108 Ca 0.25 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1bow h GLU 108 Cb 0.51 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1bow h GLU 108 CO -0.62 0.34 0.03 0.45 -1.00 0.00 0.00 179.01 178.21 1bow h HIS 109 N 0.53 0.13 0.00 4.33 3.86 -1.38 -3.31 115.15 119.32 1bow h HIS 109 Ca 0.41 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1bow h HIS 109 Cb 0.56 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1bow h HIS 109 CO -0.13 0.26 0.00 0.98 0.86 0.00 0.00 177.93 179.90 1bow n TYR 110 N -4.92 0.00 -0.22 2.45 9.36 -0.72 -0.38 117.16 122.73 1bow n TYR 110 Ca -0.06 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.18 1bow n TYR 110 Cb 0.12 -0.13 0.13 0.00 -0.63 0.00 0.00 39.34 38.83 1bow n TYR 110 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1bow h PHE 111 N 0.00 0.39 -0.31 2.98 3.57 -1.73 -1.56 116.94 120.28 1bow h PHE 111 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1bow h PHE 111 Cb 0.00 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 1bow h PHE 111 CO -0.24 0.07 -0.15 1.25 -2.23 0.00 0.00 178.31 177.00 1bow h LEU 112 N 0.39 -0.52 -0.91 0.59 6.46 -1.31 -0.85 115.31 119.17 1bow h LEU 112 Ca 0.34 0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 58.14 1bow h LEU 112 Cb 0.47 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1bow h LEU 112 CO -0.35 -0.19 -0.12 0.78 -0.62 0.00 0.00 178.44 177.93 1bow h ASN 113 N -0.11 0.66 -0.72 1.25 2.35 -0.20 -2.11 115.58 116.69 1bow h ASN 113 Ca 0.16 -0.19 0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1bow h ASN 113 Cb 0.35 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1bow h ASN 113 CO -0.38 0.81 0.42 0.25 -1.65 0.00 0.00 177.43 176.88 1bow h LEU 114 N 0.61 0.64 -0.55 1.61 6.46 -0.58 -0.74 115.31 122.76 1bow h LEU 114 Ca 0.11 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1bow h LEU 114 Cb 0.56 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1bow h LEU 114 CO 0.04 0.42 0.35 1.56 -0.62 0.00 0.00 178.44 180.18 1bow h GLN 115 N 0.77 0.68 -0.15 1.25 1.08 -0.54 0.17 115.11 118.38 1bow h GLN 115 Ca 0.32 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.50 1bow h GLN 115 Cb 0.17 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1bow h GLN 115 CO -0.17 0.45 -0.01 0.87 -0.95 0.00 0.00 178.83 179.02 1bow h LYS 116 N 0.70 0.03 -0.50 1.46 1.57 -0.64 0.38 116.57 119.58 1bow h LYS 116 Ca 0.21 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1bow h LYS 116 Cb -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1bow h LYS 116 CO -0.07 0.02 0.32 1.25 -0.57 0.00 0.00 179.45 180.40 1bow h LEU 117 N 0.03 0.53 -0.36 2.94 5.85 -0.77 0.42 115.31 123.95 1bow h LEU 117 Ca 0.07 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1bow h LEU 117 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1bow h LEU 117 CO -0.13 0.38 0.19 0.40 -0.34 0.00 0.00 178.44 178.95 1bow h ILE 118 N 0.64 1.01 -0.38 4.05 2.04 0.01 -2.13 117.51 122.74 1bow h ILE 118 Ca 0.19 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1bow h ILE 118 Cb -0.04 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1bow h ILE 118 CO -0.06 0.07 0.16 0.11 0.00 0.00 0.00 178.15 178.43 1bow h LYS 119 N 0.40 0.57 -0.84 2.37 1.57 0.47 -2.05 116.57 119.05 1bow h LYS 119 Ca 0.15 -0.10 0.17 0.00 -1.87 0.00 0.00 60.65 58.99 1bow h LYS 119 Cb 0.03 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 1bow h LYS 119 CO -0.09 0.54 0.56 -0.92 -0.57 0.00 0.00 179.45 178.97 1bow h TYR 120 N 0.47 0.59 0.14 -1.35 5.03 0.21 -0.85 116.97 121.21 1bow h TYR 120 Ca 0.13 0.02 -0.29 0.00 2.58 0.00 0.00 58.73 61.17 1bow h TYR 120 Cb 0.18 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1bow h TYR 120 CO -0.00 0.20 -1.33 0.82 -1.32 0.00 0.00 178.16 176.53 1bow h ILE 121 N 0.48 1.40 0.21 1.81 1.08 -1.08 -3.34 117.51 118.07 1bow h ILE 121 Ca 0.43 -2.98 -0.01 0.00 -0.39 0.00 0.00 64.86 61.91 1bow h ILE 121 Cb 0.94 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 1bow h ILE 121 CO -0.16 0.87 -0.10 0.00 -0.69 0.00 0.00 178.15 178.07 1bow h ALA 122 N 0.53 -0.28 -2.47 1.87 0.00 -0.56 -1.92 119.26 116.44 1bow h ALA 122 Ca -0.17 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 54.21 1bow h ALA 122 Cb 2.00 0.11 0.09 0.00 0.00 0.00 0.00 17.79 19.98 1bow h ALA 122 CO 0.20 -0.64 0.33 -0.51 0.00 0.00 0.00 179.25 178.62 1bow s ASP 123 N -4.97 4.72 0.00 0.00 1.01 -0.43 -2.84 116.67 114.16 1bow s ASP 123 Ca -0.14 0.66 0.00 0.00 0.71 0.00 0.00 52.55 53.78 1bow s ASP 123 Cb 0.05 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1bow s ASP 123 CO 0.65 -1.72 0.00 -1.14 0.21 0.00 0.00 175.17 173.16 1bow n ARG 124 N -3.11 0.00 -3.45 8.23 0.63 -1.26 -4.20 116.66 113.50 1bow n ARG 124 Ca 0.08 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.85 1bow n ARG 124 Cb 0.60 -3.06 -0.03 0.00 0.45 0.00 0.00 32.46 30.42 1bow n ARG 124 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1bow n GLN 125 N -2.00 -0.90 -1.80 -0.14 1.13 -1.13 -4.89 117.38 107.65 1bow n GLN 125 Ca 0.00 -0.03 -0.30 0.00 -1.94 0.00 0.00 57.00 54.72 1bow n GLN 125 Cb 0.00 -1.35 0.05 0.00 0.11 0.00 0.00 30.24 29.05 1bow n GLN 125 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bow s LEU 126 N -5.23 2.92 -0.28 1.08 1.43 -0.73 -5.05 118.68 112.83 1bow s LEU 126 Ca 0.05 1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1bow s LEU 126 Cb -0.03 -4.06 0.05 0.00 0.03 0.00 0.00 46.19 42.18 1bow s LEU 126 CO 0.44 -1.38 -0.05 -0.89 0.23 0.00 0.00 176.35 174.70 1bow s THR 127 N -3.27 2.69 0.09 5.49 2.01 -1.26 -4.91 115.64 116.48 1bow s THR 127 Ca 0.58 -1.41 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 1bow s THR 127 Cb -0.12 -2.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 1bow s THR 127 CO 0.53 -0.03 0.65 0.68 -0.69 0.00 0.00 174.62 175.76 1bow s VAL 128 N 1.21 4.66 -0.32 3.82 -7.23 -1.26 -0.78 120.40 120.51 1bow s VAL 128 Ca -0.06 1.41 0.13 0.00 -1.81 0.00 0.00 61.98 61.65 1bow s VAL 128 Cb -0.19 -4.00 0.47 0.00 0.56 0.00 0.00 36.38 33.22 1bow s VAL 128 CO -0.03 0.50 1.11 1.33 -0.31 0.00 0.00 175.10 177.70 1bow n VAL 129 N 1.95 1.85 -3.96 1.32 0.24 -0.04 -4.93 118.33 114.76 1bow n VAL 129 Ca -0.08 -3.76 0.02 0.00 -2.04 0.00 0.00 64.34 58.48 1bow n VAL 129 Cb 0.50 -0.11 0.01 0.00 -1.47 0.00 0.00 33.84 32.77 1bow n VAL 129 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bow s SER 130 N -3.57 0.00 0.66 -1.34 1.04 -1.26 -4.84 113.70 104.40 1bow s SER 130 Ca 0.39 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 1bow s SER 130 Cb 0.39 0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.78 1bow s SER 130 CO -0.03 -0.37 0.93 -1.81 0.98 0.00 0.00 173.24 172.94 1bow s ASP 131 N -3.73 4.73 -0.01 7.02 1.11 -1.26 -4.67 116.67 119.85 1bow s ASP 131 Ca 0.28 -0.08 -0.28 0.00 0.18 0.00 0.00 52.55 52.66 1bow s ASP 131 Cb -0.01 -0.52 -0.03 0.00 1.07 0.00 0.00 42.92 43.43 1bow s ASP 131 CO -0.00 -1.58 0.89 -0.69 1.18 0.00 0.00 175.17 174.96 1bow s VAL 132 N -3.04 4.90 -0.20 -1.27 1.01 -0.03 -4.39 120.40 117.37 1bow s VAL 132 Ca 0.62 1.86 -0.09 0.00 0.00 0.00 0.00 61.98 64.37 1bow s VAL 132 Cb -0.08 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1bow s VAL 132 CO 0.42 0.20 0.10 -0.31 0.00 0.00 0.00 175.10 175.52 1bow s TYR 133 N 0.85 3.28 -0.38 5.22 2.02 0.16 -1.74 117.35 126.75 1bow s TYR 133 Ca 0.47 0.11 -0.04 0.00 -0.37 0.00 0.00 57.07 57.23 1bow s TYR 133 Cb -0.20 -2.15 0.08 0.00 -0.40 0.00 0.00 41.96 39.29 1bow s TYR 133 CO 0.25 0.11 0.17 -2.00 -1.57 0.00 0.00 175.55 172.50 1bow s GLU 134 N 0.65 2.28 -0.29 -0.62 2.12 0.13 -1.37 118.70 121.60 1bow s GLU 134 Ca 0.05 -1.57 -0.14 0.00 0.36 0.00 0.00 54.97 53.67 1bow s GLU 134 Cb -0.13 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1bow s GLU 134 CO 0.01 -0.92 0.31 -1.17 -0.54 0.00 0.00 175.26 172.95 1bow s LEU 135 N 1.25 4.14 -0.24 2.70 0.20 -0.21 -0.66 118.68 125.86 1bow s LEU 135 Ca 0.03 0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.79 1bow s LEU 135 Cb -0.22 -2.30 -0.05 0.00 -0.43 0.00 0.00 46.19 43.19 1bow s LEU 135 CO -0.02 -0.18 0.21 -0.63 -0.29 0.00 0.00 176.35 175.44 1bow s ILE 136 N 1.95 5.33 -0.26 6.68 1.09 0.16 -0.96 121.20 135.18 1bow s ILE 136 Ca 0.11 0.28 0.02 0.00 -1.10 0.00 0.00 60.65 59.96 1bow s ILE 136 Cb -0.16 -3.55 0.07 0.00 -1.06 0.00 0.00 42.46 37.76 1bow s ILE 136 CO 0.11 0.32 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.60 1bow s ILE 137 N 1.16 1.74 0.10 2.92 1.01 0.46 -2.19 121.20 126.40 1bow s ILE 137 Ca 0.10 -1.51 -0.31 0.00 0.00 0.00 0.00 60.65 58.93 1bow s ILE 137 Cb -0.14 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 1bow s ILE 137 CO 0.06 -0.21 1.48 -2.16 0.00 0.00 0.00 174.94 174.11 1bow s PRO 138 N 1.27 4.27 -0.38 2.79 0.05 -1.26 -0.48 135.00 141.25 1bow s PRO 138 Ca -0.03 2.17 -0.11 0.00 0.05 0.00 0.00 61.00 63.08 1bow s PRO 138 Cb -0.19 -3.36 0.04 0.00 0.05 0.00 0.00 34.50 31.04 1bow s PRO 138 CO -0.08 -0.56 0.22 0.42 0.05 0.00 0.00 177.00 177.05 1bow s ILE 139 N 1.65 4.52 -0.27 0.56 1.01 -0.08 -4.92 121.20 123.66 1bow s ILE 139 Ca 0.67 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 1bow s ILE 139 Cb -0.38 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1bow s ILE 139 CO 0.30 -0.29 0.01 -1.00 0.00 0.00 0.00 174.94 173.97 1bow s HIS 140 N 1.53 3.12 0.27 3.97 3.76 -1.26 -3.70 115.29 122.98 1bow s HIS 140 Ca 0.02 -1.30 0.07 0.00 -0.15 0.00 0.00 55.06 53.70 1bow s HIS 140 Cb -0.20 -2.16 0.36 0.00 1.11 0.00 0.00 32.58 31.70 1bow s HIS 140 CO 0.06 -0.66 1.63 1.88 -0.85 0.00 0.00 174.74 176.80 1bow h TYR 141 N 8.12 0.20 0.00 1.40 0.05 -2.06 -3.56 116.97 121.12 1bow h TYR 141 Ca -0.31 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.40 1bow h TYR 141 Cb 1.11 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1bow h TYR 141 CO 0.60 0.67 0.00 0.39 -1.05 0.00 0.00 178.16 178.77 1bow n GLU 148 N -3.91 0.00 -4.52 4.88 1.02 -1.24 -5.38 120.64 111.48 1bow n GLU 148 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1bow n GLU 148 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.87 1bow n GLU 148 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1bow s TYR 149 N -2.78 2.57 -0.11 -0.32 2.02 -1.26 -0.91 117.35 116.56 1bow s TYR 149 Ca 0.00 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1bow s TYR 149 Cb 0.00 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 1bow s TYR 149 CO 0.00 0.31 -0.07 0.50 -1.57 0.00 0.00 175.55 174.72 1bow s ARG 150 N -1.70 3.20 -0.10 -0.62 6.06 0.37 0.04 118.95 126.21 1bow s ARG 150 Ca 0.16 -0.56 0.03 0.00 -2.50 0.00 0.00 55.73 52.86 1bow s ARG 150 Cb -0.11 -2.72 0.01 0.00 0.06 0.00 0.00 34.95 32.19 1bow s ARG 150 CO 0.07 0.43 -0.20 0.08 -2.50 0.00 0.00 175.30 173.18 1bow s VAL 151 N -0.17 1.79 -0.29 7.11 1.01 0.10 -0.40 120.40 129.54 1bow s VAL 151 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1bow s VAL 151 Cb -0.13 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1bow s VAL 151 CO 0.03 0.50 -0.03 -1.61 0.00 0.00 0.00 175.10 173.98 1bow s GLU 152 N 0.54 2.26 -0.24 2.72 2.02 -0.14 -1.66 118.70 124.20 1bow s GLU 152 Ca -0.15 -1.37 -0.10 0.00 0.02 0.00 0.00 54.97 53.36 1bow s GLU 152 Cb -0.17 -3.08 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1bow s GLU 152 CO 0.05 -0.64 0.16 -1.64 0.02 0.00 0.00 175.26 173.21 1bow s MET 153 N 1.16 4.03 0.05 1.61 -1.94 -0.63 -1.05 119.30 122.53 1bow s MET 153 Ca -0.05 -0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 53.57 1bow s MET 153 Cb -0.20 -3.54 -0.01 0.00 2.01 0.00 0.00 34.83 33.09 1bow s MET 153 CO -0.03 0.02 0.13 -1.59 -0.01 0.00 0.00 175.02 173.54 1bow s LYS 154 N 1.17 0.68 -0.09 2.03 -2.85 -0.47 -0.68 119.74 119.51 1bow s LYS 154 Ca 0.07 -0.80 -0.10 0.00 -1.00 0.00 0.00 55.97 54.14 1bow s LYS 154 Cb -0.14 0.27 0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1bow s LYS 154 CO 0.05 -0.19 0.28 -1.50 0.10 0.00 0.00 175.35 174.10 1bow s ILE 155 N -2.98 0.01 0.33 3.79 2.07 -1.04 0.41 121.20 123.79 1bow s ILE 155 Ca -0.02 -0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 58.88 1bow s ILE 155 Cb 0.01 -0.42 -0.09 0.00 0.13 0.00 0.00 42.46 42.09 1bow s ILE 155 CO -0.06 -0.04 1.19 -0.60 -1.91 0.00 0.00 174.94 173.53 1bow s ARG 156 N -0.03 4.36 0.13 3.50 3.52 -1.26 -2.34 118.95 126.83 1bow s ARG 156 Ca -0.02 1.96 0.04 0.00 -0.13 0.00 0.00 55.73 57.59 1bow s ARG 156 Cb -0.02 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1bow s ARG 156 CO 0.01 -0.09 -0.10 0.96 -0.81 0.00 0.00 175.30 175.27 1bow s ILE 157 N -1.23 1.07 -2.71 4.11 -4.36 -0.57 -0.86 121.20 116.64 1bow s ILE 157 Ca 0.50 -1.94 0.26 0.00 -0.26 0.00 0.00 60.65 59.21 1bow s ILE 157 Cb -0.34 -1.71 0.40 0.00 1.25 0.00 0.00 42.46 42.06 1bow s ILE 157 CO 0.45 -0.71 1.54 0.18 0.24 0.00 0.00 174.94 176.64