#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wve s ILE 10 N 0.00 4.92 0.22 -1.33 -5.25 -1.26 -5.11 121.20 113.39 2wve s ILE 10 Ca 0.00 -0.08 0.09 0.00 -0.99 0.00 0.00 60.65 59.67 2wve s ILE 10 Cb 0.00 -3.14 -0.05 0.00 2.95 0.00 0.00 42.46 42.22 2wve s ILE 10 CO 0.00 0.56 -0.16 -0.63 -1.79 0.00 0.00 174.94 172.93 2wve s ILE 11 N -1.01 1.88 0.04 8.37 1.01 -1.26 -5.16 121.20 125.08 2wve s ILE 11 Ca 0.16 -2.25 0.03 0.00 0.00 0.00 0.00 60.65 58.59 2wve s ILE 11 Cb -0.12 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2wve s ILE 11 CO 0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 174.94 174.33 2wve s ARG 12 N -3.62 0.67 0.04 2.79 1.70 -1.26 -5.14 118.95 114.12 2wve s ARG 12 Ca 0.24 -0.71 -0.04 0.00 -0.47 0.00 0.00 55.73 54.74 2wve s ARG 12 Cb -0.02 -0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 33.77 2wve s ARG 12 CO 0.08 0.13 0.06 -0.59 -1.08 0.00 0.00 175.30 173.91 2wve s PHE 13 N -1.05 0.24 0.14 5.89 -0.12 -1.26 -5.17 117.98 116.65 2wve s PHE 13 Ca -0.04 -0.57 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 2wve s PHE 13 Cb -0.08 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 2wve s PHE 13 CO 0.01 -0.34 0.32 -1.54 -0.05 0.00 0.00 175.22 173.61 2wve s SER 14 N -2.11 6.39 -0.14 1.98 1.04 -1.26 -5.10 113.70 114.50 2wve s SER 14 Ca -0.05 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.75 2wve s SER 14 Cb -0.01 -2.00 -0.00 0.00 0.10 0.00 0.00 66.02 64.11 2wve s SER 14 CO -0.05 0.06 -0.17 -0.69 0.98 0.00 0.00 173.24 173.37 2wve s VAL 15 N -1.70 2.54 0.08 5.02 1.01 -1.26 -5.12 120.40 120.97 2wve s VAL 15 Ca 0.37 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2wve s VAL 15 Cb -0.12 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 2wve s VAL 15 CO 0.28 0.53 0.53 -0.44 0.00 0.00 0.00 175.10 175.99 2wve s SER 16 N 0.65 6.94 0.17 3.32 0.01 -1.26 -5.07 113.70 118.46 2wve s SER 16 Ca -0.09 1.14 -0.24 0.00 1.31 0.00 0.00 55.95 58.07 2wve s SER 16 Cb -0.16 -2.31 0.06 0.00 0.21 0.00 0.00 66.02 63.81 2wve s SER 16 CO 0.02 0.24 0.88 -1.48 0.41 0.00 0.00 173.24 173.31 2wve s LEU 17 N -1.34 -0.23 0.49 2.44 2.34 -1.26 -5.17 118.68 115.95 2wve s LEU 17 Ca 0.30 -0.39 -0.07 0.00 0.06 0.00 0.00 54.13 54.03 2wve s LEU 17 Cb -0.18 2.29 -0.04 0.00 -0.56 0.00 0.00 46.19 47.70 2wve s LEU 17 CO 0.18 -0.98 0.83 -1.10 -1.06 0.00 0.00 176.35 174.22 2wve s GLN 18 N -3.43 3.60 0.20 1.48 -1.52 -1.26 -4.94 119.66 113.79 2wve s GLN 18 Ca 0.11 0.36 -0.10 0.00 -1.95 0.00 0.00 55.36 53.78 2wve s GLN 18 Cb -0.02 -2.32 0.26 0.00 -0.22 0.00 0.00 33.01 30.71 2wve s GLN 18 CO 0.01 -0.24 1.74 0.37 -0.25 0.00 0.00 175.29 176.92 2wve h GLN 19 N 0.32 0.35 -0.49 2.91 5.75 -2.02 -1.70 115.11 120.23 2wve h GLN 19 Ca -0.46 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.11 2wve h GLN 19 Cb 1.20 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.59 2wve h GLN 19 CO 0.62 0.23 0.05 -0.97 -2.65 0.00 0.00 178.83 176.11 2wve h ASN 20 N 0.37 -0.11 -0.27 -0.69 -0.73 -1.99 0.17 115.58 112.31 2wve h ASN 20 Ca 0.29 0.10 -0.14 0.00 1.87 0.00 0.00 56.30 58.43 2wve h ASN 20 Cb 0.37 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 2wve h ASN 20 CO -0.31 -0.03 -0.35 0.25 -0.37 0.00 0.00 177.43 176.62 2wve h LEU 21 N 0.17 0.85 -0.75 0.34 5.85 -1.88 -2.60 115.31 117.29 2wve h LEU 21 Ca 0.25 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2wve h LEU 21 Cb 0.36 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2wve h LEU 21 CO -0.37 1.11 0.19 0.25 -0.34 0.00 0.00 178.44 179.28 2wve h LEU 22 N 0.67 1.07 -0.07 2.25 5.85 -0.50 -0.84 115.31 123.74 2wve h LEU 22 Ca 0.06 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2wve h LEU 22 Cb 0.90 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 2wve h LEU 22 CO 0.08 1.02 0.04 0.44 -0.34 0.00 0.00 178.44 179.68 2wve h ASP 23 N 1.08 0.08 -0.88 1.25 3.32 -0.59 0.26 116.42 120.94 2wve h ASP 23 Ca 0.23 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2wve h ASP 23 Cb 0.35 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2wve h ASP 23 CO -0.00 0.10 0.54 -0.33 -1.72 0.00 0.00 179.24 177.83 2wve h GLU 24 N 0.05 1.19 0.31 3.56 5.08 -1.27 -0.15 114.58 123.35 2wve h GLU 24 Ca 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2wve h GLU 24 Cb 0.04 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2wve h GLU 24 CO -0.00 0.83 -0.15 1.25 -1.00 0.00 0.00 179.01 179.94 2wve h LEU 25 N 1.21 -0.35 -1.19 1.33 5.85 -0.91 -2.38 115.31 118.87 2wve h LEU 25 Ca 0.32 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2wve h LEU 25 Cb -0.06 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2wve h LEU 25 CO -0.06 -0.15 0.26 0.44 -0.34 0.00 0.00 178.44 178.60 2wve h ASP 26 N -0.54 0.74 -0.56 1.25 3.32 -0.75 -0.98 116.42 118.91 2wve h ASP 26 Ca -0.04 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2wve h ASP 26 Cb 0.40 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2wve h ASP 26 CO 0.07 0.65 0.26 -1.13 -1.72 0.00 0.00 179.24 177.37 2wve h ASN 27 N 0.82 0.74 -0.46 6.45 -0.73 -0.99 -2.09 115.58 119.31 2wve h ASN 27 Ca 0.20 -0.14 -0.13 0.00 1.87 0.00 0.00 56.30 58.10 2wve h ASN 27 Cb 0.11 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 2wve h ASN 27 CO -0.02 0.67 -0.21 -0.09 -0.37 0.00 0.00 177.43 177.41 2wve h ARG 28 N 0.76 0.97 -0.53 6.67 9.65 -0.90 -0.75 114.38 130.26 2wve h ARG 28 Ca 0.19 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2wve h ARG 28 Cb 0.13 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 2wve h ARG 28 CO -0.02 1.08 0.32 0.82 2.80 0.00 0.00 179.97 184.97 2wve h ILE 29 N 0.84 1.16 -0.25 1.20 2.04 -1.06 0.79 117.51 122.22 2wve h ILE 29 Ca 0.11 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2wve h ILE 29 Cb 0.78 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2wve h ILE 29 CO 0.06 0.16 0.04 0.40 0.00 0.00 0.00 178.15 178.82 2wve h ILE 30 N 0.71 1.23 -0.64 -0.67 2.04 -1.30 -0.65 117.51 118.23 2wve h ILE 30 Ca 0.19 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 2wve h ILE 30 Cb -0.02 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2wve h ILE 30 CO -0.04 0.24 0.04 0.50 0.00 0.00 0.00 178.15 178.90 2wve h LYS 31 N 0.23 1.10 -0.00 2.37 3.64 -0.80 -3.16 116.57 119.95 2wve h LYS 31 Ca 0.08 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2wve h LYS 31 Cb 0.32 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2wve h LYS 31 CO 0.00 1.04 -0.80 0.09 -2.27 0.00 0.00 179.45 177.51 2wve n ASN 32 N -4.19 1.01 -0.17 4.20 4.13 0.24 -4.98 115.26 115.50 2wve n ASN 32 Ca 0.04 -0.89 -0.01 0.00 1.68 0.00 0.00 54.58 55.39 2wve n ASN 32 Cb 0.33 0.74 -0.00 0.00 -1.54 0.00 0.00 39.78 39.31 2wve n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wve n GLY 33 N 1.48 0.32 3.72 7.41 0.00 -0.34 -5.02 105.19 112.77 2wve n GLY 33 Ca 0.05 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 2wve n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wve n TYR 34 N -3.95 2.13 0.09 1.61 4.01 -0.69 -4.93 117.16 115.43 2wve n TYR 34 Ca -0.02 0.44 -0.07 0.00 -0.16 0.00 0.00 57.90 58.09 2wve n TYR 34 Cb 0.49 -2.34 0.02 0.00 -0.31 0.00 0.00 39.34 37.20 2wve n TYR 34 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wve h SER 35 N 1.44 0.22 -5.12 7.72 4.64 -1.96 -3.45 113.55 117.05 2wve h SER 35 Ca -0.50 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 60.69 2wve h SER 35 Cb 1.31 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2wve h SER 35 CO 0.57 0.94 0.36 -0.94 -0.87 0.00 0.00 176.83 176.89 2wve s SER 36 N -6.90 -0.03 0.10 4.97 1.04 -1.26 -5.02 113.70 106.60 2wve s SER 36 Ca -0.03 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.33 2wve s SER 36 Cb 0.11 0.74 -0.11 0.00 0.10 0.00 0.00 66.02 66.85 2wve s SER 36 CO 0.82 -1.45 1.37 0.03 0.98 0.00 0.00 173.24 174.99 2wve h ARG 37 N 2.00 0.78 -0.87 4.02 3.08 -1.99 -3.10 114.38 118.30 2wve h ARG 37 Ca -0.29 -0.51 0.03 0.00 0.07 0.00 0.00 59.98 59.28 2wve h ARG 37 Cb 1.24 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.31 2wve h ARG 37 CO 0.37 1.13 0.57 0.77 -1.07 0.00 0.00 179.97 181.74 2wve h SER 38 N 0.52 0.94 -0.48 7.04 0.02 -1.99 -2.54 113.55 117.06 2wve h SER 38 Ca 0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2wve h SER 38 Cb 1.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2wve h SER 38 CO 0.11 0.65 0.15 -0.08 -1.14 0.00 0.00 176.83 176.52 2wve h GLU 39 N 1.09 0.75 -0.67 3.45 4.81 -1.94 0.98 114.58 123.05 2wve h GLU 39 Ca 0.34 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2wve h GLU 39 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2wve h GLU 39 CO -0.10 0.71 0.34 1.25 -0.73 0.00 0.00 179.01 180.48 2wve h LEU 40 N 0.65 0.86 -0.47 1.64 6.46 -1.43 -0.59 115.31 122.43 2wve h LEU 40 Ca 0.16 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2wve h LEU 40 Cb 0.27 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 2wve h LEU 40 CO -0.00 0.73 -0.05 0.58 -0.62 0.00 0.00 178.44 179.08 2wve h VAL 41 N 0.92 1.27 -0.10 1.05 2.07 -1.14 -1.88 116.25 118.44 2wve h VAL 41 Ca 0.23 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.61 2wve h VAL 41 Cb 0.09 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2wve h VAL 41 CO -0.03 0.40 0.01 0.03 0.02 0.00 0.00 177.57 178.00 2wve h ARG 42 N 0.72 0.05 -0.97 1.57 3.08 -0.59 -0.67 114.38 117.56 2wve h ARG 42 Ca 0.13 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.21 2wve h ARG 42 Cb 0.58 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 2wve h ARG 42 CO 0.03 0.03 0.64 -0.44 -1.07 0.00 0.00 179.97 179.17 2wve h ASP 43 N 0.05 1.08 -0.17 7.04 3.32 -0.98 0.62 116.42 127.38 2wve h ASP 43 Ca 0.04 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 2wve h ASP 43 Cb 0.04 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2wve h ASP 43 CO -0.07 0.75 -0.53 -0.03 -1.72 0.00 0.00 179.24 177.64 2wve h MET 44 N 1.25 0.75 -0.34 3.56 4.05 -1.13 0.44 114.93 123.52 2wve h MET 44 Ca 0.38 -0.47 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2wve h MET 44 Cb -0.03 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 2wve h MET 44 CO -0.11 1.10 0.15 0.82 0.23 0.00 0.00 176.91 179.10 2wve h ILE 45 N 0.58 1.17 -0.51 1.77 2.04 -0.57 0.39 117.51 122.38 2wve h ILE 45 Ca 0.02 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2wve h ILE 45 Cb 1.12 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2wve h ILE 45 CO 0.11 0.18 0.29 -0.09 0.00 0.00 0.00 178.15 178.64 2wve h ARG 46 N 0.40 0.56 -0.44 2.37 2.43 -0.83 -1.13 114.38 117.75 2wve h ARG 46 Ca 0.11 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2wve h ARG 46 Cb 0.15 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2wve h ARG 46 CO -0.01 0.37 0.23 1.49 -1.51 0.00 0.00 179.97 180.53 2wve h GLU 47 N 0.57 0.44 -0.27 0.20 4.81 -0.42 -0.75 114.58 119.16 2wve h GLU 47 Ca 0.21 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2wve h GLU 47 Cb 0.06 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2wve h GLU 47 CO -0.11 0.29 -0.02 0.87 -0.73 0.00 0.00 179.01 179.31 2wve h LYS 48 N 0.46 0.41 -0.41 1.92 1.79 -0.69 -0.53 116.57 119.51 2wve h LYS 48 Ca 0.19 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2wve h LYS 48 Cb 0.08 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2wve h LYS 48 CO -0.12 0.45 -0.13 1.25 -1.08 0.00 0.00 179.45 179.81 2wve h LEU 49 N 0.39 0.83 -1.66 2.94 6.46 0.10 -3.17 115.31 121.21 2wve h LEU 49 Ca 0.09 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 2wve h LEU 49 Cb 0.30 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2wve h LEU 49 CO 0.01 1.02 0.00 0.52 -0.62 0.00 0.00 178.44 179.37 2wve n VAL 50 N -4.28 0.04 -2.18 1.05 0.31 -0.42 -4.98 118.33 107.87 2wve n VAL 50 Ca -0.01 -0.44 -0.40 0.00 -0.01 0.00 0.00 64.34 63.48 2wve n VAL 50 Cb 0.39 1.14 -0.02 0.00 -0.91 0.00 0.00 33.84 34.44 2wve n VAL 50 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wve s GLU 51 N -1.96 4.24 0.12 5.55 2.12 -0.22 -4.92 118.70 123.63 2wve s GLU 51 Ca 0.32 2.08 -0.35 0.00 0.36 0.00 0.00 54.97 57.37 2wve s GLU 51 Cb 0.20 -2.93 -0.17 0.00 0.26 0.00 0.00 34.13 31.49 2wve s GLU 51 CO 0.31 -0.24 1.19 -0.25 -0.54 0.00 0.00 175.26 175.74 2wve n ASP 52 N 0.54 1.19 -3.62 -1.70 8.00 -1.26 -4.96 116.55 114.74 2wve n ASP 52 Ca 0.02 1.13 -0.10 0.00 0.71 0.00 0.00 54.79 56.55 2wve n ASP 52 Cb 0.43 -1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 2wve n ASP 52 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wve s ASN 53 N 0.15 -0.40 0.00 -2.24 6.03 -1.26 -5.09 114.94 112.13 2wve s ASN 53 Ca 0.79 -0.28 0.00 0.00 -1.03 0.00 0.00 52.86 52.34 2wve s ASN 53 Cb -0.95 0.61 0.00 0.00 -3.03 0.00 0.00 41.25 37.89 2wve s ASN 53 CO 0.51 -1.07 0.00 -2.67 -2.03 0.00 0.00 177.10 171.84 2wve n TRP 54 N -0.38 -0.02 0.00 1.54 2.14 -1.26 -5.08 117.44 114.38 2wve n TRP 54 Ca -0.12 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.45 2wve n TRP 54 Cb 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.13 2wve n TRP 54 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 2wve n ASN 58 N 0.00 0.00 -2.77 -0.67 2.04 -1.26 -5.18 115.26 107.42 2wve n ASN 58 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2wve n ASN 58 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 2wve n ASN 58 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 2wve n PRO 59 N -1.41 0.75 -0.54 -0.53 -0.02 -1.26 -4.86 135.00 127.13 2wve n PRO 59 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2wve n PRO 59 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 2wve n PRO 59 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wve n ASN 60 N -0.73 5.35 -4.66 2.55 3.02 -1.26 -4.66 115.26 114.87 2wve n ASN 60 Ca 0.00 -2.42 -0.50 0.00 -0.03 0.00 0.00 54.58 51.63 2wve n ASN 60 Cb 0.00 -1.15 -0.05 0.00 -0.61 0.00 0.00 39.78 37.97 2wve n ASN 60 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2wve n ASP 61 N 1.57 3.20 -1.24 6.41 -0.08 -1.26 -4.83 116.55 120.32 2wve n ASP 61 Ca 0.04 0.91 0.07 0.00 -1.51 0.00 0.00 54.79 54.29 2wve n ASP 61 Cb 0.53 -1.34 0.26 0.00 2.34 0.00 0.00 41.12 42.92 2wve n ASP 61 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2wve n GLU 62 N 6.72 3.04 -0.18 -0.67 0.28 -1.26 -3.94 120.64 124.62 2wve n GLU 62 Ca 0.25 -2.07 0.06 0.00 -0.16 0.00 0.00 57.16 55.24 2wve n GLU 62 Cb 0.27 -1.75 0.14 0.00 1.43 0.00 0.00 31.44 31.54 2wve n GLU 62 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2wve n SER 63 N 0.72 2.83 -4.76 -1.84 3.41 -1.24 -3.72 113.62 109.02 2wve n SER 63 Ca 0.19 -2.48 -0.41 0.00 -0.26 0.00 0.00 58.87 55.90 2wve n SER 63 Cb 0.70 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2wve n SER 63 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wve s LYS 64 N -1.85 4.25 -0.07 4.33 -0.14 -0.77 -4.81 119.74 120.69 2wve s LYS 64 Ca 0.24 2.35 0.02 0.00 -1.36 0.00 0.00 55.97 57.22 2wve s LYS 64 Cb 0.18 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 2wve s LYS 64 CO 0.07 -0.37 -0.11 0.42 -0.76 0.00 0.00 175.35 174.60 2wve s ILE 65 N -0.71 3.31 0.09 2.17 -1.09 -1.26 -1.93 121.20 121.78 2wve s ILE 65 Ca 0.54 -0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 58.25 2wve s ILE 65 Cb -0.43 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 2wve s ILE 65 CO 0.52 0.58 0.20 0.00 -1.23 0.00 0.00 174.94 175.01 2wve s ALA 66 N -0.62 -0.26 -0.15 9.38 0.00 -0.58 -0.53 121.76 129.00 2wve s ALA 66 Ca 0.09 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2wve s ALA 66 Cb -0.11 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.50 2wve s ALA 66 CO 0.01 -0.51 -0.21 0.08 0.00 0.00 0.00 175.76 175.14 2wve s VAL 67 N -3.77 2.02 -0.23 0.00 1.01 0.97 -0.00 120.40 120.38 2wve s VAL 67 Ca 0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2wve s VAL 67 Cb 0.04 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2wve s VAL 67 CO -0.11 0.54 0.15 -0.22 0.00 0.00 0.00 175.10 175.46 2wve s LEU 68 N 1.03 4.10 -0.20 3.92 2.96 0.01 0.35 118.68 130.83 2wve s LEU 68 Ca -0.02 0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.94 2wve s LEU 68 Cb -0.14 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2wve s LEU 68 CO -0.06 0.09 0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 2wve s VAL 69 N 0.90 4.71 -0.05 1.68 1.01 0.15 -0.64 120.40 128.17 2wve s VAL 69 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2wve s VAL 69 Cb -0.13 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.13 2wve s VAL 69 CO 0.03 0.42 -0.05 -0.69 0.00 0.00 0.00 175.10 174.81 2wve s VAL 70 N 0.73 0.59 -0.19 2.92 1.01 -0.12 -1.27 120.40 124.08 2wve s VAL 70 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2wve s VAL 70 Cb -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2wve s VAL 70 CO 0.02 0.24 -0.04 -0.63 0.00 0.00 0.00 175.10 174.68 2wve s ILE 71 N 0.88 3.60 0.12 2.22 1.01 0.08 0.01 121.20 129.12 2wve s ILE 71 Ca -0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 2wve s ILE 71 Cb -0.14 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.72 2wve s ILE 71 CO 0.01 0.46 0.25 -0.72 0.00 0.00 0.00 174.94 174.94 2wve s TYR 72 N 0.92 0.19 -0.55 3.97 -0.85 -0.55 0.06 117.35 120.54 2wve s TYR 72 Ca -0.00 -0.58 -0.28 0.00 -0.52 0.00 0.00 57.07 55.68 2wve s TYR 72 Cb -0.15 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.20 2wve s TYR 72 CO 0.01 -0.63 1.36 0.34 -1.52 0.00 0.00 175.55 175.11 2wve s ASP 73 N -2.89 6.23 0.00 -0.18 -1.08 -0.32 -0.57 116.67 117.86 2wve s ASP 73 Ca 0.09 0.32 0.19 0.00 -0.52 0.00 0.00 52.55 52.63 2wve s ASP 73 Cb 0.04 -2.55 1.15 0.00 -1.46 0.00 0.00 42.92 40.10 2wve s ASP 73 CO -0.07 -1.62 1.59 0.00 0.52 0.00 0.00 175.17 175.60 2wve n HIS 74 N 9.21 0.00 0.14 -5.34 1.44 -1.06 -2.31 115.22 117.31 2wve n HIS 74 Ca 0.12 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.85 2wve n HIS 74 Cb 0.49 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.71 2wve n HIS 74 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2wve h HIS 75 N 0.00 0.00 -1.53 -1.40 3.86 -1.88 -3.45 115.15 110.75 2wve h HIS 75 Ca 0.00 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.47 2wve h HIS 75 Cb 0.00 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.49 2wve h HIS 75 CO 0.00 0.53 0.88 1.04 0.86 0.00 0.00 177.93 181.23 2wve n GLN 76 N -3.34 1.12 0.13 2.45 1.13 -0.98 -4.86 117.38 113.04 2wve n GLN 76 Ca 0.01 0.41 -0.00 0.00 -1.94 0.00 0.00 57.00 55.47 2wve n GLN 76 Cb 0.69 -2.08 0.26 0.00 0.11 0.00 0.00 30.24 29.21 2wve n GLN 76 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 2wve h ARG 77 N 7.04 0.12 0.00 -1.09 0.11 -1.91 -3.34 114.38 115.30 2wve h ARG 77 Ca -0.46 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2wve h ARG 77 Cb 1.32 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2wve h ARG 77 CO 0.95 0.53 0.00 0.39 0.10 0.00 0.00 179.97 181.95 2wve n GLU 78 N -4.01 2.79 -0.18 0.08 1.02 -1.26 -4.75 120.64 114.33 2wve n GLU 78 Ca -0.02 -0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 56.87 2wve n GLU 78 Cb 0.48 -0.73 0.09 0.00 -0.02 0.00 0.00 31.44 31.26 2wve n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wve h LEU 79 N 0.00 0.09 -0.82 -4.62 5.85 -1.91 -2.15 115.31 111.76 2wve h LEU 79 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2wve h LEU 79 Cb 0.01 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2wve h LEU 79 CO 0.00 0.07 0.53 -1.13 -0.34 0.00 0.00 178.44 177.57 2wve h ASN 80 N 0.30 0.90 0.12 1.25 -0.73 -1.85 -2.02 115.58 113.56 2wve h ASN 80 Ca 0.28 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.34 2wve h ASN 80 Cb 0.37 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2wve h ASN 80 CO -0.33 0.64 -0.35 -0.61 -0.37 0.00 0.00 177.43 176.41 2wve h GLN 81 N 1.06 0.32 -0.45 6.67 5.75 -1.79 -2.63 115.11 124.04 2wve h GLN 81 Ca 0.31 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 58.56 2wve h GLN 81 Cb -0.06 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2wve h GLN 81 CO -0.09 0.63 -0.17 0.00 -2.65 0.00 0.00 178.83 176.55 2wve h ARG 82 N 0.27 0.92 -0.19 1.69 3.08 -0.75 -1.31 114.38 118.09 2wve h ARG 82 Ca 0.03 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 2wve h ARG 82 Cb 0.74 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2wve h ARG 82 CO 0.06 1.04 0.10 0.52 -1.07 0.00 0.00 179.97 180.61 2wve h MET 83 N 0.75 0.26 -0.43 0.04 2.86 -1.30 -1.44 114.93 115.68 2wve h MET 83 Ca 0.11 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 2wve h MET 83 Cb 0.74 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 2wve h MET 83 CO 0.06 0.26 -0.05 0.82 1.06 0.00 0.00 176.91 179.06 2wve h ILE 84 N 0.20 0.62 -0.22 -1.22 2.04 -1.33 -1.49 117.51 116.11 2wve h ILE 84 Ca 0.07 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2wve h ILE 84 Cb 0.08 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2wve h ILE 84 CO -0.01 0.01 -0.08 0.44 0.00 0.00 0.00 178.15 178.51 2wve h ASP 85 N 0.05 0.32 -0.30 1.72 3.32 -0.98 -0.64 116.42 119.91 2wve h ASP 85 Ca 0.21 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2wve h ASP 85 Cb 0.31 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wve h ASP 85 CO -0.40 0.44 -0.34 0.40 -1.72 0.00 0.00 179.24 177.62 2wve h ILE 86 N 0.33 1.28 -0.39 0.35 2.04 -0.50 -0.37 117.51 120.24 2wve h ILE 86 Ca 0.07 -1.51 -0.14 0.00 1.00 0.00 0.00 64.86 64.29 2wve h ILE 86 Cb 0.35 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2wve h ILE 86 CO 0.02 0.50 -0.28 -0.26 0.00 0.00 0.00 178.15 178.12 2wve h PHE 87 N 0.69 1.04 -0.42 1.37 0.04 -0.82 -2.01 116.94 116.83 2wve h PHE 87 Ca 0.07 -0.29 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 2wve h PHE 87 Cb 0.90 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 2wve h PHE 87 CO 0.05 1.08 -0.03 1.25 -0.60 0.00 0.00 178.31 180.06 2wve h HIS 88 N 0.69 0.84 -0.50 -0.55 2.76 -1.02 -2.65 115.15 114.72 2wve h HIS 88 Ca 0.07 -0.16 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 2wve h HIS 88 Cb 0.86 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 2wve h HIS 88 CO 0.06 0.85 0.13 0.00 -1.30 0.00 0.00 177.93 177.67 2wve h ALA 89 N 0.88 1.29 0.00 5.26 0.00 -1.06 -2.58 119.26 123.04 2wve h ALA 89 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wve h ALA 89 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wve h ALA 89 CO 0.03 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.44 2wve h SER 90 N 0.73 0.00 -0.09 0.00 4.64 -1.13 -3.46 113.55 114.25 2wve h SER 90 Ca 0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2wve h SER 90 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2wve h SER 90 CO -0.00 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.53 2wve n GLY 91 N 0.38 0.53 3.83 -0.77 0.00 -0.97 -4.90 105.19 103.28 2wve n GLY 91 Ca 0.03 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 2wve n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wve s THR 92 N -1.96 4.81 -0.15 2.61 2.01 -1.02 -4.88 115.64 117.06 2wve s THR 92 Ca 0.00 1.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.92 2wve s THR 92 Cb 0.00 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2wve s THR 92 CO 0.00 0.42 0.19 -1.00 -0.69 0.00 0.00 174.62 173.54 2wve s HIS 93 N -1.26 3.50 -0.42 4.92 3.76 0.13 -4.54 115.29 121.38 2wve s HIS 93 Ca 0.32 0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 55.55 2wve s HIS 93 Cb -0.17 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.39 2wve s HIS 93 CO 0.19 0.43 0.48 0.08 -0.85 0.00 0.00 174.74 175.07 2wve s VAL 94 N -0.11 5.03 0.08 -0.90 1.01 -1.26 -0.35 120.40 123.90 2wve s VAL 94 Ca 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2wve s VAL 94 Cb -0.12 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 31.91 2wve s VAL 94 CO 0.02 -0.45 1.14 -0.07 0.00 0.00 0.00 175.10 175.75 2wve h LEU 95 N 9.18 0.57 -7.00 3.92 3.38 -1.45 -3.48 115.31 120.44 2wve h LEU 95 Ca -0.26 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.15 2wve h LEU 95 Cb 1.11 -0.18 -0.23 0.00 0.09 0.00 0.00 40.66 41.44 2wve h LEU 95 CO 0.81 1.42 0.34 0.00 0.09 0.00 0.00 178.44 181.11 2wve s THR 97 N -0.18 0.73 -0.06 0.00 -4.23 -1.26 -0.39 115.64 110.26 2wve s THR 97 Ca -0.01 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 2wve s THR 97 Cb -0.03 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 73.06 2wve s THR 97 CO -0.00 -0.34 0.00 -0.89 -0.54 0.00 0.00 174.62 172.85 2wve s THR 98 N -1.37 0.31 -0.18 3.99 2.01 -0.46 -4.99 115.64 114.95 2wve s THR 98 Ca -0.07 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2wve s THR 98 Cb -0.10 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2wve s THR 98 CO 0.01 0.22 -0.02 -1.00 -0.69 0.00 0.00 174.62 173.14 2wve s HIS 99 N 1.63 3.02 -0.07 4.92 3.76 -1.26 -1.20 115.29 126.09 2wve s HIS 99 Ca -0.01 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2wve s HIS 99 Cb -0.13 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 2wve s HIS 99 CO -0.03 -0.19 -0.21 0.96 -0.85 0.00 0.00 174.74 174.42 2wve s ILE 100 N 0.77 2.43 -0.29 0.60 -4.36 -0.25 -5.00 121.20 115.10 2wve s ILE 100 Ca -0.01 -0.93 -0.25 0.00 -0.26 0.00 0.00 60.65 59.21 2wve s ILE 100 Cb -0.14 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.64 2wve s ILE 100 CO 0.02 0.57 0.85 -1.00 0.24 0.00 0.00 174.94 175.62 2wve s HIS 101 N -0.18 3.23 -0.05 1.37 3.76 -1.26 -0.64 115.29 121.51 2wve s HIS 101 Ca -0.02 0.98 0.04 0.00 -0.15 0.00 0.00 55.06 55.91 2wve s HIS 101 Cb -0.14 -3.25 -0.25 0.00 1.11 0.00 0.00 32.58 30.05 2wve s HIS 101 CO 0.03 -0.55 0.63 0.52 -0.85 0.00 0.00 174.74 174.52 2wve h MET 102 N 7.98 0.11 0.00 1.40 2.86 -1.46 -3.49 114.93 122.34 2wve h MET 102 Ca -0.23 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 2wve h MET 102 Cb 1.09 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2wve h MET 102 CO 0.91 0.81 0.22 -0.40 1.06 0.00 0.00 176.91 179.51 2wve n ASP 103 N -3.24 -2.01 -0.29 1.22 5.68 -1.13 -4.98 116.55 111.80 2wve n ASP 103 Ca -0.21 -2.45 0.12 0.00 -0.50 0.00 0.00 54.79 51.76 2wve n ASP 103 Cb 1.05 3.36 0.29 0.00 -1.14 0.00 0.00 41.12 44.67 2wve n ASP 103 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2wve h GLU 104 N 0.00 0.28 0.00 0.11 -0.00 -2.04 -2.96 114.58 109.97 2wve h GLU 104 Ca -0.30 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.36 59.05 2wve h GLU 104 Cb 1.11 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.79 2wve h GLU 104 CO 0.38 0.19 -0.00 1.12 -0.00 0.00 0.00 179.01 180.69 2wve h HIS 105 N 0.29 -0.00 -3.01 2.06 2.07 -1.96 -3.46 115.15 111.14 2wve h HIS 105 Ca 0.54 -0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 57.40 2wve h HIS 105 Cb 1.05 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.92 2wve h HIS 105 CO -0.21 0.82 -0.54 -0.80 -3.07 0.00 0.00 177.93 174.13 2wve s ASN 106 N -6.10 5.84 -0.09 3.10 0.01 -1.12 -2.57 114.94 114.01 2wve s ASN 106 Ca -0.16 0.28 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 2wve s ASN 106 Cb -0.02 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.79 2wve s ASN 106 CO 0.58 0.35 -0.21 0.00 -1.51 0.00 0.00 177.10 176.31 2wve s LEU 108 N 0.16 4.14 -0.05 0.00 0.20 0.19 -1.48 118.68 121.84 2wve s LEU 108 Ca -0.12 0.19 0.05 0.00 0.69 0.00 0.00 54.13 54.95 2wve s LEU 108 Cb -0.16 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.52 2wve s LEU 108 CO 0.06 0.16 -0.21 -0.70 -0.29 0.00 0.00 176.35 175.38 2wve s GLU 109 N 0.47 2.16 -0.16 1.98 2.12 0.10 -1.09 118.70 124.28 2wve s GLU 109 Ca 0.07 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.62 2wve s GLU 109 Cb -0.12 -1.85 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 2wve s GLU 109 CO -0.01 0.31 -0.05 0.95 -0.54 0.00 0.00 175.26 175.92 2wve s THR 110 N -0.05 3.72 -0.21 -1.70 -4.23 -0.34 -0.94 115.64 111.89 2wve s THR 110 Ca -0.04 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2wve s THR 110 Cb -0.13 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2wve s THR 110 CO 0.03 0.48 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.82 2wve s ILE 111 N 0.56 2.02 -0.30 2.99 1.01 0.19 -1.36 121.20 126.32 2wve s ILE 111 Ca -0.03 -1.23 -0.25 0.00 0.00 0.00 0.00 60.65 59.14 2wve s ILE 111 Cb -0.15 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.33 2wve s ILE 111 CO 0.03 0.25 0.85 -0.63 0.00 0.00 0.00 174.94 175.43 2wve s ILE 112 N 1.24 4.74 0.14 2.92 -1.09 0.48 -0.81 121.20 128.82 2wve s ILE 112 Ca -0.02 1.34 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 2wve s ILE 112 Cb -0.16 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 2wve s ILE 112 CO -0.09 -0.27 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.49 2wve s LEU 113 N 3.08 2.99 -0.02 2.97 1.43 0.99 -1.07 118.68 129.06 2wve s LEU 113 Ca 0.35 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2wve s LEU 113 Cb -0.14 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2wve s LEU 113 CO 0.12 0.14 0.03 -1.58 0.23 0.00 0.00 176.35 175.29 2wve s GLN 114 N -2.52 -0.03 0.00 1.70 0.74 0.53 -1.53 119.66 118.55 2wve s GLN 114 Ca 0.23 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.81 2wve s GLN 114 Cb -0.10 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.79 2wve s GLN 114 CO 0.14 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.14 2wve n GLY 115 N 4.06 -0.74 3.91 2.59 0.00 -0.81 0.20 105.19 114.39 2wve n GLY 115 Ca -0.26 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 2wve n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wve s ASN 116 N -4.00 6.31 0.13 1.61 2.20 -1.25 -1.84 114.94 118.09 2wve s ASN 116 Ca 0.00 0.85 -0.19 0.00 -0.94 0.00 0.00 52.86 52.58 2wve s ASN 116 Cb 0.00 -2.21 -0.01 0.00 -2.00 0.00 0.00 41.25 37.03 2wve s ASN 116 CO 0.00 -0.49 1.73 -1.28 -2.94 0.00 0.00 177.10 174.13 2wve h SER 117 N 0.52 0.01 -0.12 3.54 0.87 -1.83 -2.42 113.55 114.12 2wve h SER 117 Ca -0.47 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2wve h SER 117 Cb 1.20 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 2wve h SER 117 CO 0.62 0.04 -0.06 0.15 -0.53 0.00 0.00 176.83 177.04 2wve h PHE 118 N 0.13 -0.14 -0.14 2.24 3.57 -1.95 -2.44 116.94 118.21 2wve h PHE 118 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2wve h PHE 118 Cb 0.11 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2wve h PHE 118 CO -0.15 -0.10 0.06 0.93 -2.23 0.00 0.00 178.31 176.82 2wve h GLU 119 N -0.05 0.21 -0.88 1.11 4.39 -1.88 -3.08 114.58 114.39 2wve h GLU 119 Ca 0.07 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.78 2wve h GLU 119 Cb 0.15 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2wve h GLU 119 CO -0.15 0.29 0.58 0.82 -1.16 0.00 0.00 179.01 179.39 2wve h ILE 120 N 0.08 1.10 0.00 3.13 2.04 -1.34 -2.46 117.51 120.05 2wve h ILE 120 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2wve h ILE 120 Cb 0.16 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2wve h ILE 120 CO -0.00 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2wve n GLN 121 N -4.47 0.01 0.00 2.37 6.02 -0.93 -2.54 117.38 117.85 2wve n GLN 121 Ca 0.13 0.24 0.08 0.00 -0.01 0.00 0.00 57.00 57.44 2wve n GLN 121 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 2wve n GLN 121 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wve n ARG 122 N -1.49 1.51 -0.15 -1.09 1.74 -0.93 -4.52 116.66 111.74 2wve n ARG 122 Ca 0.04 -0.32 -0.11 0.00 -0.77 0.00 0.00 57.85 56.69 2wve n ARG 122 Cb 0.17 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 2wve n ARG 122 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wve h LEU 123 N 0.72 0.87 -0.66 0.55 3.38 -1.54 -2.98 115.31 115.65 2wve h LEU 123 Ca 0.00 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.70 2wve h LEU 123 Cb 0.47 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2wve h LEU 123 CO 0.00 1.04 0.28 -0.61 0.09 0.00 0.00 178.44 179.24 2wve h GLN 124 N 0.69 0.47 -0.09 1.13 4.15 -1.79 -0.06 115.11 119.60 2wve h GLN 124 Ca 0.11 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.33 2wve h GLN 124 Cb 0.66 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.26 2wve h GLN 124 CO 0.05 0.31 -0.62 1.25 -1.93 0.00 0.00 178.83 177.89 2wve h LEU 125 N 0.48 0.69 0.24 -2.39 5.85 -1.86 -0.83 115.31 117.50 2wve h LEU 125 Ca 0.33 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2wve h LEU 125 Cb 0.40 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2wve h LEU 125 CO -0.30 1.25 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.50 2wve h GLU 126 N 0.19 -0.47 -0.64 1.25 5.08 -1.31 -1.71 114.58 116.97 2wve h GLU 126 Ca -0.05 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2wve h GLU 126 Cb 1.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2wve h GLU 126 CO 0.13 -0.31 0.11 0.82 -1.00 0.00 0.00 179.01 178.75 2wve h ILE 127 N -0.49 1.26 0.00 3.13 1.08 -1.09 -2.87 117.51 118.53 2wve h ILE 127 Ca -0.01 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 2wve h ILE 127 Cb 0.45 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2wve h ILE 127 CO -0.04 0.38 -0.07 1.23 -0.69 0.00 0.00 178.15 178.96 2wve h GLY 128 N 0.96 0.00 1.29 5.37 0.00 -0.96 -2.52 103.07 107.22 2wve h GLY 128 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wve h GLY 128 CO 0.01 0.00 -0.51 0.61 0.00 0.00 0.00 176.54 176.65 2wve n GLY 129 N -1.01 -1.45 3.78 4.60 0.00 -0.66 -4.82 105.19 105.62 2wve n GLY 129 Ca -0.02 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2wve n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wve s LEU 130 N -4.15 4.31 0.17 0.99 1.43 -0.95 -4.95 118.68 115.52 2wve s LEU 130 Ca 0.07 3.03 -0.30 0.00 -1.03 0.00 0.00 54.13 55.90 2wve s LEU 130 Cb 0.14 -3.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 2wve s LEU 130 CO 0.70 -0.89 1.22 0.00 0.23 0.00 0.00 176.35 177.61 2wve s ARG 131 N -2.12 4.46 0.00 1.70 1.70 -1.26 -2.41 118.95 121.02 2wve s ARG 131 Ca 0.53 1.89 0.00 0.00 -0.47 0.00 0.00 55.73 57.68 2wve s ARG 131 Cb -0.46 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 30.67 2wve s ARG 131 CO 0.62 -0.15 0.00 0.41 -1.08 0.00 0.00 175.30 175.11 2wve n GLY 132 N 2.42 2.25 3.68 3.88 0.00 -1.26 -4.89 105.19 111.27 2wve n GLY 132 Ca 0.06 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2wve n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wve s VAL 133 N -2.03 4.66 -0.04 1.61 1.01 -1.01 -1.18 120.40 123.41 2wve s VAL 133 Ca 0.00 1.95 0.15 0.00 0.00 0.00 0.00 61.98 64.08 2wve s VAL 133 Cb 0.00 -4.25 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 2wve s VAL 133 CO 0.00 -0.04 0.30 0.29 0.00 0.00 0.00 175.10 175.65 2wve n LYS 134 N 5.35 0.65 -3.66 2.72 5.02 0.11 -4.88 118.16 123.47 2wve n LYS 134 Ca 0.10 -0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 2wve n LYS 134 Cb 0.48 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 2wve n LYS 134 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2wve s PHE 135 N -2.98 -0.77 -0.13 2.13 5.36 -0.99 -4.97 117.98 115.64 2wve s PHE 135 Ca -0.06 1.76 -0.06 0.00 -0.96 0.00 0.00 56.93 57.61 2wve s PHE 135 Cb 0.09 0.33 0.05 0.00 -0.34 0.00 0.00 43.02 43.15 2wve s PHE 135 CO 0.64 -0.38 0.30 0.00 -1.46 0.00 0.00 175.22 174.33 2wve s ALA 136 N 0.70 -0.72 -0.16 11.12 0.00 -1.26 -0.74 121.76 130.70 2wve s ALA 136 Ca -0.03 1.17 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 2wve s ALA 136 Cb -0.05 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.40 2wve s ALA 136 CO -0.05 -0.24 0.35 0.21 0.00 0.00 0.00 175.76 176.04 2wve s LYS 137 N 1.35 0.25 -0.08 0.00 2.47 -0.40 -4.95 119.74 118.38 2wve s LYS 137 Ca -0.09 0.87 -0.06 0.00 -1.56 0.00 0.00 55.97 55.13 2wve s LYS 137 Cb -0.10 0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.36 2wve s LYS 137 CO -0.10 -0.25 0.16 -1.17 0.16 0.00 0.00 175.35 174.15 2wve s LEU 138 N 2.34 4.39 -0.14 5.43 0.20 -1.26 -0.67 118.68 128.96 2wve s LEU 138 Ca -0.02 0.45 0.02 0.00 0.69 0.00 0.00 54.13 55.28 2wve s LEU 138 Cb -0.12 -2.25 0.01 0.00 -0.43 0.00 0.00 46.19 43.40 2wve s LEU 138 CO -0.11 0.36 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.21 2wve s THR 139 N -1.12 2.13 -0.29 3.68 2.01 0.15 -4.97 115.64 117.24 2wve s THR 139 Ca 0.19 -0.96 -0.24 0.00 0.31 0.00 0.00 61.69 60.99 2wve s THR 139 Cb -0.12 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 2wve s THR 139 CO 0.09 0.55 0.81 -0.54 -0.69 0.00 0.00 174.62 174.83 2wve s LYS 140 N 0.79 4.02 -0.49 4.92 1.02 -1.26 -0.02 119.74 128.72 2wve s LYS 140 Ca -0.07 0.69 -0.28 0.00 0.02 0.00 0.00 55.97 56.33 2wve s LYS 140 Cb -0.16 -3.71 0.03 0.00 -0.52 0.00 0.00 37.83 33.48 2wve s LYS 140 CO -0.01 -0.65 1.07 0.00 -0.92 0.00 0.00 175.35 174.84 2wve s ALA 141 N 2.96 3.15 0.00 5.17 0.00 0.32 -4.85 121.76 128.50 2wve s ALA 141 Ca 0.33 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2wve s ALA 141 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2wve s ALA 141 CO 0.11 -2.28 0.00 -1.13 0.00 0.00 0.00 175.76 172.47