#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 1.52 0.06 -1.33 -4.36 -1.26 -5.14 121.20 110.69 2wve s ILE 10 Ca 0.00 -0.97 0.08 0.00 -0.26 0.00 0.00 60.65 59.50 2wve s ILE 10 Cb 0.00 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 2wve s ILE 10 CO 0.00 0.30 -0.22 -0.63 0.24 0.00 0.00 174.94 174.63 2wve s ILE 11 N -0.61 2.49 -0.05 8.37 1.01 -1.26 -5.13 121.20 126.02 2wve s ILE 11 Ca 0.07 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.39 2wve s ILE 11 Cb -0.08 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.36 2wve s ILE 11 CO 0.00 0.30 -0.12 -0.13 0.00 0.00 0.00 174.94 175.00 2wve s ARG 12 N -1.48 1.49 0.20 2.79 0.52 -1.26 -5.14 118.95 116.07 2wve s ARG 12 Ca 0.14 -0.41 0.11 0.00 -0.52 0.00 0.00 55.73 55.05 2wve s ARG 12 Cb -0.10 -1.28 -0.04 0.00 0.52 0.00 0.00 34.95 34.04 2wve s ARG 12 CO 0.04 0.08 -0.22 -0.59 0.02 0.00 0.00 175.30 174.64 2wve s PHE 13 N 0.45 2.17 0.28 -0.53 -0.12 -1.26 -5.14 117.98 113.83 2wve s PHE 13 Ca -0.10 -0.38 -0.14 0.00 -0.05 0.00 0.00 56.93 56.25 2wve s PHE 13 Cb -0.13 -1.06 -0.08 0.00 -0.63 0.00 0.00 43.02 41.12 2wve s PHE 13 CO 0.02 0.49 0.68 -1.12 -0.05 0.00 0.00 175.22 175.24 2wve s SER 14 N -2.80 6.78 -0.09 1.98 0.01 -1.26 -5.08 113.70 113.25 2wve s SER 14 Ca 0.21 1.20 0.04 0.00 1.31 0.00 0.00 55.95 58.71 2wve s SER 14 Cb -0.07 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2wve s SER 14 CO 0.10 -0.12 -0.21 -0.69 0.41 0.00 0.00 173.24 172.73 2wve s VAL 15 N -1.85 1.79 -0.20 3.43 1.01 -1.26 -5.12 120.40 118.20 2wve s VAL 15 Ca 0.50 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2wve s VAL 15 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2wve s VAL 15 CO 0.19 0.50 0.03 -0.44 0.00 0.00 0.00 175.10 175.38 2wve s SER 16 N 0.40 5.19 0.01 3.32 0.01 -1.26 -5.09 113.70 116.27 2wve s SER 16 Ca -0.17 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.02 2wve s SER 16 Cb -0.17 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 2wve s SER 16 CO 0.07 0.10 -0.06 -0.76 0.41 0.00 0.00 173.24 173.00 2wve s LEU 17 N 0.80 2.09 0.62 2.44 1.02 -1.26 -5.14 118.68 119.26 2wve s LEU 17 Ca 0.02 -0.25 -0.18 0.00 0.02 0.00 0.00 54.13 53.74 2wve s LEU 17 Cb -0.14 -0.22 -0.02 0.00 0.02 0.00 0.00 46.19 45.83 2wve s LEU 17 CO 0.02 -0.03 1.20 -1.10 0.02 0.00 0.00 176.35 176.46 2wve s GLN 18 N -0.62 2.84 0.22 1.70 -0.21 -1.26 -4.87 119.66 117.46 2wve s GLN 18 Ca -0.02 1.79 -0.08 0.00 0.02 0.00 0.00 55.36 57.07 2wve s GLN 18 Cb -0.05 -1.92 0.31 0.00 1.00 0.00 0.00 33.01 32.36 2wve s GLN 18 CO -0.00 -1.30 1.78 0.37 -2.12 0.00 0.00 175.29 174.02 2wve h GLN 19 N 0.67 0.58 -0.24 2.91 5.75 -2.00 -2.00 115.11 120.78 2wve h GLN 19 Ca -0.50 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 57.93 2wve h GLN 19 Cb 1.29 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 2wve h GLN 19 CO 0.54 0.39 -0.01 -2.95 -2.65 0.00 0.00 178.83 174.15 2wve h ASN 20 N 0.60 0.33 -0.30 -0.69 -0.00 -1.99 0.27 115.58 113.81 2wve h ASN 20 Ca 0.34 -0.05 -0.16 0.00 -0.00 0.00 0.00 56.30 56.42 2wve h ASN 20 Cb 0.33 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.57 2wve h ASN 20 CO -0.25 0.40 -0.45 -0.07 -0.00 0.00 0.00 177.43 177.05 2wve h LEU 21 N 0.35 0.91 -1.01 6.14 3.38 -1.79 -2.26 115.31 121.03 2wve h LEU 21 Ca 0.08 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2wve h LEU 21 Cb 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2wve h LEU 21 CO 0.01 1.25 0.15 0.25 0.09 0.00 0.00 178.44 180.19 2wve h LEU 22 N 0.60 0.81 -0.64 1.67 5.85 -0.59 -1.06 115.31 121.95 2wve h LEU 22 Ca 0.03 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wve h LEU 22 Cb 1.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2wve h LEU 22 CO 0.10 0.78 0.25 0.44 -0.34 0.00 0.00 178.44 179.68 2wve h ASP 23 N 0.84 0.89 -0.72 1.25 3.32 -0.43 0.78 116.42 122.36 2wve h ASP 23 Ca 0.19 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2wve h ASP 23 Cb 0.28 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2wve h ASP 23 CO -0.00 0.82 0.30 -0.08 -1.72 0.00 0.00 179.24 178.55 2wve h GLU 24 N 0.91 1.06 -0.01 3.56 4.57 -0.96 0.70 114.58 124.41 2wve h GLU 24 Ca 0.21 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2wve h GLU 24 Cb 0.21 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2wve h GLU 24 CO -0.02 0.87 0.01 1.25 -1.18 0.00 0.00 179.01 179.94 2wve h LEU 25 N 1.02 0.01 -0.75 1.64 5.85 -0.79 -2.11 115.31 120.18 2wve h LEU 25 Ca 0.24 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2wve h LEU 25 Cb 0.20 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2wve h LEU 25 CO -0.02 0.04 0.01 0.44 -0.34 0.00 0.00 178.44 178.57 2wve h ASP 26 N -0.02 0.94 -0.70 1.25 3.32 -0.61 -1.91 116.42 118.69 2wve h ASP 26 Ca 0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2wve h ASP 26 Cb 0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2wve h ASP 26 CO -0.00 0.99 0.35 0.78 -1.72 0.00 0.00 179.24 179.64 2wve h ASN 27 N 0.89 0.91 -0.20 6.45 2.35 -0.80 -2.88 115.58 122.30 2wve h ASN 27 Ca 0.17 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 2wve h ASN 27 Cb 0.51 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2wve h ASN 27 CO 0.02 0.77 -0.25 -0.09 -1.65 0.00 0.00 177.43 176.24 2wve h ARG 28 N 0.98 0.67 -0.38 0.81 2.43 -1.11 -1.48 114.38 116.30 2wve h ARG 28 Ca 0.24 -0.27 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2wve h ARG 28 Cb 0.09 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2wve h ARG 28 CO -0.03 0.86 0.12 0.82 -1.51 0.00 0.00 179.97 180.22 2wve h ILE 29 N 0.58 0.87 -0.32 1.20 2.04 -1.15 0.46 117.51 121.19 2wve h ILE 29 Ca 0.08 -0.09 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 2wve h ILE 29 Cb 0.73 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2wve h ILE 29 CO 0.06 0.05 -0.49 0.40 0.00 0.00 0.00 178.15 178.16 2wve h ILE 30 N 0.26 1.27 -0.23 -0.67 2.04 -1.38 0.25 117.51 119.06 2wve h ILE 30 Ca 0.17 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2wve h ILE 30 Cb 0.17 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2wve h ILE 30 CO -0.19 0.55 0.10 0.11 0.00 0.00 0.00 178.15 178.72 2wve h LYS 31 N 0.70 0.34 -0.01 2.37 1.57 -0.92 -3.25 116.57 117.37 2wve h LYS 31 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wve h LYS 31 Cb 1.10 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wve h LYS 31 CO 0.11 0.38 -0.56 0.09 -0.57 0.00 0.00 179.45 178.91 2wve n ASN 32 N -4.81 1.17 0.00 0.86 4.13 0.12 -4.97 115.26 111.76 2wve n ASN 32 Ca -0.03 -0.94 0.00 0.00 1.68 0.00 0.00 54.58 55.28 2wve n ASN 32 Cb 0.12 0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 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 1.44 0.65 3.77 7.41 0.00 -0.23 -5.04 105.19 113.18 2wve n GLY 33 Ca 0.08 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 2wve n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wve s TYR 34 N -2.00 2.56 -0.25 1.61 2.02 -0.09 -4.95 117.35 116.24 2wve s TYR 34 Ca 0.00 1.53 0.21 0.00 -0.37 0.00 0.00 57.07 58.44 2wve s TYR 34 Cb 0.00 -3.36 0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2wve s TYR 34 CO 0.00 -1.83 1.15 0.66 -1.57 0.00 0.00 175.55 173.97 2wve h SER 35 N 1.05 0.00 -5.14 2.29 4.64 -1.96 -3.44 113.55 110.99 2wve h SER 35 Ca -0.50 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.94 2wve h SER 35 Cb 1.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2wve h SER 35 CO 0.56 0.14 0.35 -0.94 -0.87 0.00 0.00 176.83 176.07 2wve s SER 36 N -5.70 -0.24 0.22 4.97 1.04 -1.26 -5.03 113.70 107.72 2wve s SER 36 Ca 0.01 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2wve s SER 36 Cb 0.08 0.61 0.22 0.00 0.10 0.00 0.00 66.02 67.03 2wve s SER 36 CO 0.77 -1.11 1.67 0.03 0.98 0.00 0.00 173.24 175.57 2wve h ARG 37 N 2.00 0.81 -0.30 4.02 3.08 -1.97 -2.92 114.38 119.10 2wve h ARG 37 Ca -0.22 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2wve h ARG 37 Cb 1.24 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2wve h ARG 37 CO 0.25 0.90 0.20 0.77 -1.07 0.00 0.00 179.97 181.01 2wve h SER 38 N 0.73 0.35 -0.51 7.04 0.02 -1.98 0.29 113.55 119.48 2wve h SER 38 Ca 0.12 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2wve h SER 38 Cb 0.63 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2wve h SER 38 CO 0.04 0.27 0.33 -0.08 -1.14 0.00 0.00 176.83 176.25 2wve h GLU 39 N 0.41 0.69 -0.48 3.45 4.81 -1.94 -0.35 114.58 121.17 2wve h GLU 39 Ca 0.11 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2wve h GLU 39 Cb -0.03 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2wve h GLU 39 CO -0.02 0.47 0.07 1.25 -0.73 0.00 0.00 179.01 180.05 2wve h LEU 40 N 0.69 0.76 -0.79 1.64 5.85 -1.31 -1.84 115.31 120.32 2wve h LEU 40 Ca 0.19 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2wve h LEU 40 Cb -0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2wve h LEU 40 CO -0.04 0.84 0.34 0.58 -0.34 0.00 0.00 178.44 179.81 2wve h VAL 41 N 0.66 1.26 -0.43 1.05 2.07 -0.68 -0.01 116.25 120.16 2wve h VAL 41 Ca 0.14 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2wve h VAL 41 Cb 0.40 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2wve h VAL 41 CO 0.01 0.32 0.28 0.03 0.02 0.00 0.00 177.57 178.24 2wve h ARG 42 N 1.13 0.57 -0.57 1.57 3.08 -0.90 0.84 114.38 120.10 2wve h ARG 42 Ca 0.26 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.30 2wve h ARG 42 Cb 0.18 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2wve h ARG 42 CO -0.03 0.38 0.34 -0.44 -1.07 0.00 0.00 179.97 179.16 2wve h ASP 43 N 0.58 0.56 -0.47 7.04 5.19 -0.86 -1.13 116.42 127.33 2wve h ASP 43 Ca 0.16 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2wve h ASP 43 Cb -0.06 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 2wve h ASP 43 CO -0.03 0.39 0.18 0.24 -3.12 0.00 0.00 179.24 176.90 2wve h MET 44 N 0.68 0.70 -0.28 3.56 2.86 -0.61 -1.30 114.93 120.54 2wve h MET 44 Ca 0.23 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2wve h MET 44 Cb 0.02 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2wve h MET 44 CO -0.10 0.63 0.12 0.82 1.06 0.00 0.00 176.91 179.45 2wve h ILE 45 N 0.61 0.97 -0.26 -1.22 2.04 -0.56 0.17 117.51 119.26 2wve h ILE 45 Ca 0.15 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.97 2wve h ILE 45 Cb 0.20 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2wve h ILE 45 CO -0.01 0.05 0.01 0.03 0.00 0.00 0.00 178.15 178.23 2wve h ARG 46 N 0.27 0.09 -0.74 2.37 3.08 -1.05 0.65 114.38 119.05 2wve h ARG 46 Ca 0.12 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2wve h ARG 46 Cb 0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2wve h ARG 46 CO -0.09 0.06 0.32 1.49 -1.07 0.00 0.00 179.97 180.68 2wve h GLU 47 N 0.10 1.08 -0.47 0.04 4.81 -0.82 -2.05 114.58 117.28 2wve h GLU 47 Ca 0.12 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2wve h GLU 47 Cb 0.15 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2wve h GLU 47 CO -0.20 0.86 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.66 2wve h LYS 48 N 1.07 0.86 -0.49 1.92 1.63 -0.22 -2.36 116.57 118.98 2wve h LYS 48 Ca 0.25 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2wve h LYS 48 Cb 0.16 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2wve h LYS 48 CO -0.03 0.94 0.22 -0.07 -3.45 0.00 0.00 179.45 177.06 2wve h LEU 49 N 0.71 0.62 -0.36 5.20 3.38 -0.52 -0.83 115.31 123.51 2wve h LEU 49 Ca 0.12 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2wve h LEU 49 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wve h LEU 49 CO 0.04 0.55 -0.13 0.58 0.09 0.00 0.00 178.44 179.57 2wve h VAL 50 N 0.69 1.28 0.57 1.22 2.07 -1.17 -0.77 116.25 120.13 2wve h VAL 50 Ca 0.17 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 2wve h VAL 50 Cb 0.10 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2wve h VAL 50 CO -0.02 0.40 -0.51 -0.33 0.02 0.00 0.00 177.57 177.13 2wve h GLU 51 N 0.52 -1.02 -0.90 1.57 5.08 -0.90 -0.08 114.58 118.85 2wve h GLU 51 Ca 0.09 0.07 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 2wve h GLU 51 Cb 0.65 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.06 2wve h GLU 51 CO 0.04 -0.68 0.58 -0.44 -1.00 0.00 0.00 179.01 177.52 2wve h ASP 52 N -1.06 0.62 -0.51 1.42 3.32 -1.17 0.23 116.42 119.27 2wve h ASP 52 Ca -0.07 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2wve h ASP 52 Cb 0.90 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2wve h ASP 52 CO -0.03 0.30 0.09 -1.13 -1.72 0.00 0.00 179.24 176.75 2wve h ASN 53 N 0.65 0.81 1.16 6.45 -0.73 -0.74 -2.19 115.58 120.99 2wve h ASN 53 Ca 0.46 -0.25 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 2wve h ASN 53 Cb 0.81 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.19 2wve h ASN 53 CO -0.22 0.86 -0.10 -0.50 -0.37 0.00 0.00 177.43 177.10 2wve h TRP 54 N 0.73 0.00 0.00 0.67 4.06 0.36 -2.88 115.95 118.88 2wve h TRP 54 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 2wve h TRP 54 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 2wve h TRP 54 CO 0.03 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 175.01 2wve n ALA 55 N -2.15 2.06 -2.61 1.49 0.00 0.67 -4.71 120.51 115.27 2wve n ALA 55 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2wve n ALA 55 Cb 0.40 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2wve n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wve s GLU 56 N -2.96 4.58 -1.23 0.00 2.02 -1.09 -4.96 118.70 115.05 2wve s GLU 56 Ca 0.12 1.45 -0.19 0.00 0.02 0.00 0.00 54.97 56.37 2wve s GLU 56 Cb 0.15 -3.44 0.07 0.00 0.10 0.00 0.00 34.13 31.01 2wve s GLU 56 CO 0.41 -0.02 1.67 0.34 0.02 0.00 0.00 175.26 177.69 2wve s ASP 57 N 0.83 6.76 -0.97 -0.19 -1.08 -1.26 -4.89 116.67 115.87 2wve s ASP 57 Ca 0.52 -2.22 -0.04 0.00 -0.52 0.00 0.00 52.55 50.29 2wve s ASP 57 Cb -0.22 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 38.91 2wve s ASP 57 CO 0.28 -1.25 0.92 0.59 0.52 0.00 0.00 175.17 176.24 2wve n ASN 58 N 8.50 4.71 -0.31 -0.34 4.13 -1.26 -4.94 115.26 125.75 2wve n ASN 58 Ca 0.45 -3.12 0.14 0.00 1.68 0.00 0.00 54.58 53.73 2wve n ASN 58 Cb 0.47 -1.16 0.38 0.00 -1.54 0.00 0.00 39.78 37.93 2wve n ASN 58 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2wve h PRO 59 N 6.12 0.66 0.00 3.52 0.11 -2.01 -1.70 132.00 138.70 2wve h PRO 59 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2wve h PRO 59 Cb 0.82 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2wve h PRO 59 CO 0.93 0.44 -0.14 0.09 -0.21 0.00 0.00 178.00 179.11 2wve n ASN 60 N -4.64 0.62 -4.49 -2.05 5.03 -1.26 -4.54 115.26 103.93 2wve n ASN 60 Ca 0.21 0.44 -0.43 0.00 0.87 0.00 0.00 54.58 55.67 2wve n ASN 60 Cb 0.57 -0.51 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 2wve n ASN 60 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2wve s ASP 61 N -4.09 6.62 -0.44 6.41 2.15 -0.64 -4.83 116.67 121.85 2wve s ASP 61 Ca 0.11 -1.93 0.04 0.00 0.43 0.00 0.00 52.55 51.20 2wve s ASP 61 Cb 0.14 -2.46 0.66 0.00 -0.30 0.00 0.00 42.92 40.96 2wve s ASP 61 CO 0.61 -1.19 1.90 -0.62 -0.17 0.00 0.00 175.17 175.70 2wve n GLU 62 N 7.28 2.23 0.00 4.34 1.02 -1.26 -3.74 120.64 130.51 2wve n GLU 62 Ca 0.28 -3.02 0.11 0.00 -0.02 0.00 0.00 57.16 54.52 2wve n GLU 62 Cb 0.49 -2.16 0.05 0.00 -0.02 0.00 0.00 31.44 29.80 2wve n GLU 62 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wve n SER 63 N -1.15 2.21 -4.76 1.62 3.41 -1.22 -3.19 113.62 110.56 2wve n SER 63 Ca 0.59 -1.61 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 2wve n SER 63 Cb 1.64 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.90 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 -2.36 4.41 -0.09 4.33 1.02 -0.66 -4.77 119.74 121.62 2wve s LYS 64 Ca 0.21 2.09 0.01 0.00 0.02 0.00 0.00 55.97 58.30 2wve s LYS 64 Cb 0.19 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2wve s LYS 64 CO 0.50 -0.15 -0.10 0.42 -0.92 0.00 0.00 175.35 175.10 2wve s ILE 65 N -0.66 3.35 0.06 2.17 -1.09 -1.26 -1.89 121.20 121.88 2wve s ILE 65 Ca 0.51 -0.58 -0.07 0.00 -2.23 0.00 0.00 60.65 58.28 2wve s ILE 65 Cb -0.37 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.11 2wve s ILE 65 CO 0.45 0.56 0.14 0.00 -1.23 0.00 0.00 174.94 174.86 2wve s ALA 66 N -0.26 -0.10 -0.17 9.38 0.00 -0.92 -1.66 121.76 128.03 2wve s ALA 66 Ca 0.02 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2wve s ALA 66 Cb -0.13 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.37 2wve s ALA 66 CO 0.03 -0.42 -0.20 0.08 0.00 0.00 0.00 175.76 175.25 2wve s VAL 67 N -3.34 2.02 -0.25 0.00 1.01 -0.45 -0.56 120.40 118.83 2wve s VAL 67 Ca 0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2wve s VAL 67 Cb 0.03 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2wve s VAL 67 CO -0.08 0.53 0.33 -0.22 0.00 0.00 0.00 175.10 175.66 2wve s LEU 68 N 1.21 4.08 -0.23 3.92 2.96 0.58 -0.62 118.68 130.57 2wve s LEU 68 Ca 0.03 0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 2wve s LEU 68 Cb -0.13 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2wve s LEU 68 CO -0.11 -0.10 0.10 -0.69 -1.32 0.00 0.00 176.35 174.23 2wve s VAL 69 N 1.69 4.76 -0.04 1.68 1.01 0.32 -0.61 120.40 129.20 2wve s VAL 69 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2wve s VAL 69 Cb -0.15 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2wve s VAL 69 CO 0.09 0.36 -0.10 -0.69 0.00 0.00 0.00 175.10 174.75 2wve s VAL 70 N 1.18 0.94 -0.19 2.92 1.01 0.10 -1.40 120.40 124.96 2wve s VAL 70 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2wve s VAL 70 Cb -0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2wve s VAL 70 CO 0.04 0.30 -0.11 -0.63 0.00 0.00 0.00 175.10 174.70 2wve s ILE 71 N 0.41 2.95 0.09 2.22 1.01 -0.41 -0.20 121.20 127.27 2wve s ILE 71 Ca -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2wve s ILE 71 Cb -0.12 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2wve s ILE 71 CO 0.02 0.48 0.09 -0.72 0.00 0.00 0.00 174.94 174.81 2wve s TYR 72 N 1.12 0.43 -0.43 3.97 -0.85 -0.31 -0.62 117.35 120.68 2wve s TYR 72 Ca 0.01 -0.90 -0.20 0.00 -0.52 0.00 0.00 57.07 55.46 2wve s TYR 72 Cb -0.14 -0.25 0.02 0.00 0.38 0.00 0.00 41.96 41.96 2wve s TYR 72 CO -0.03 -0.49 0.61 0.34 -1.52 0.00 0.00 175.55 174.45 2wve s ASP 73 N -2.92 6.31 0.00 -0.18 -1.08 -0.49 -0.05 116.67 118.26 2wve s ASP 73 Ca 0.10 -0.34 0.16 0.00 -0.52 0.00 0.00 52.55 51.95 2wve s ASP 73 Cb 0.06 -2.30 0.76 0.00 -1.46 0.00 0.00 42.92 39.98 2wve s ASP 73 CO -0.07 -0.73 1.49 0.00 0.52 0.00 0.00 175.17 176.37 2wve n HIS 74 N 6.13 0.00 0.19 -5.34 1.44 -1.26 -2.00 115.22 114.38 2wve n HIS 74 Ca -0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.80 2wve n HIS 74 Cb 0.48 -0.37 0.13 0.00 0.12 0.00 0.00 29.99 30.34 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 -2.28 -1.40 3.86 -1.91 -3.46 115.15 109.95 2wve h HIS 75 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 2wve h HIS 75 Cb 0.20 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.71 2wve h HIS 75 CO 0.00 0.01 1.01 0.94 0.86 0.00 0.00 177.93 180.74 2wve n GLN 76 N -3.00 2.41 -2.01 2.45 -0.06 -0.85 -4.87 117.38 111.45 2wve n GLN 76 Ca 0.03 0.88 -0.42 0.00 -2.00 0.00 0.00 57.00 55.48 2wve n GLN 76 Cb 0.54 -2.72 -0.03 0.00 -4.06 0.00 0.00 30.24 23.97 2wve n GLN 76 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 2wve s ARG 77 N 2.55 4.23 0.00 3.69 1.70 -1.26 -2.69 118.95 127.17 2wve s ARG 77 Ca 0.84 2.24 0.00 0.00 -0.47 0.00 0.00 55.73 58.34 2wve s ARG 77 Cb -0.61 -3.51 0.00 0.00 -0.57 0.00 0.00 34.95 30.27 2wve s ARG 77 CO 0.42 -0.66 0.00 0.39 -1.08 0.00 0.00 175.30 174.37 2wve n GLU 78 N 5.20 -0.01 -0.06 3.89 -0.58 -1.26 -4.89 120.64 122.93 2wve n GLU 78 Ca 0.15 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2wve n GLU 78 Cb 0.41 -2.90 -0.05 0.00 -0.57 0.00 0.00 31.44 28.34 2wve n GLU 78 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2wve h LEU 79 N 0.00 0.32 -0.14 -4.62 5.85 -1.87 0.52 115.31 115.38 2wve h LEU 79 Ca 0.00 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.49 2wve h LEU 79 Cb 0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2wve h LEU 79 CO 0.00 0.51 -0.08 0.78 -0.34 0.00 0.00 178.44 179.31 2wve h ASN 80 N 0.12 -0.26 -0.55 1.25 2.35 -1.90 0.48 115.58 117.07 2wve h ASN 80 Ca 0.06 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2wve h ASN 80 Cb 0.33 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2wve h ASN 80 CO 0.00 -0.11 0.17 -0.61 -1.65 0.00 0.00 177.43 175.23 2wve h GLN 81 N -0.08 0.91 -0.69 0.81 5.75 -1.94 -0.37 115.11 119.50 2wve h GLN 81 Ca 0.08 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 2wve h GLN 81 Cb 0.19 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2wve h GLN 81 CO -0.18 0.80 0.27 -0.09 -2.65 0.00 0.00 178.83 176.98 2wve h ARG 82 N 0.88 1.04 -0.36 1.69 9.65 -0.50 0.22 114.38 127.00 2wve h ARG 82 Ca 0.20 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 2wve h ARG 82 Cb 0.28 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2wve h ARG 82 CO -0.01 0.86 -0.25 0.52 2.80 0.00 0.00 179.97 183.90 2wve h MET 83 N 0.99 0.72 -0.29 0.20 2.86 -0.53 -1.91 114.93 116.98 2wve h MET 83 Ca 0.23 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2wve h MET 83 Cb 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2wve h MET 83 CO -0.02 0.90 0.14 0.82 1.06 0.00 0.00 176.91 179.80 2wve h ILE 84 N 0.63 1.15 -0.71 -1.22 1.08 -0.59 -2.23 117.51 115.63 2wve h ILE 84 Ca 0.08 -0.44 0.11 0.00 -0.39 0.00 0.00 64.86 64.22 2wve h ILE 84 Cb 0.75 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 35.34 2wve h ILE 84 CO 0.06 0.16 0.32 0.44 -0.69 0.00 0.00 178.15 178.44 2wve h ASP 85 N 0.33 0.37 -0.56 1.72 3.32 -0.42 -1.25 116.42 119.93 2wve h ASP 85 Ca 0.10 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2wve h ASP 85 Cb 0.12 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2wve h ASP 85 CO -0.01 0.20 0.16 0.40 -1.72 0.00 0.00 179.24 178.27 2wve h ILE 86 N 0.53 1.24 -0.38 0.35 2.04 -1.08 -1.58 117.51 118.63 2wve h ILE 86 Ca 0.36 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 65.23 2wve h ILE 86 Cb 0.44 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2wve h ILE 86 CO -0.31 0.31 -0.36 -0.26 0.00 0.00 0.00 178.15 177.54 2wve h PHE 87 N 0.80 1.05 -0.77 1.37 0.04 -1.05 -1.78 116.94 116.62 2wve h PHE 87 Ca 0.18 -0.30 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 2wve h PHE 87 Cb 0.31 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 2wve h PHE 87 CO 0.02 1.11 0.31 0.45 -0.60 0.00 0.00 178.31 179.60 2wve h HIS 88 N 0.73 1.15 0.00 -0.55 3.86 -1.12 -1.98 115.15 117.25 2wve h HIS 88 Ca 0.07 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2wve h HIS 88 Cb 0.93 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2wve h HIS 88 CO 0.06 0.87 0.00 0.00 0.86 0.00 0.00 177.93 179.71 2wve n ALA 89 N -2.44 1.85 -1.92 2.45 0.00 -0.60 -4.82 120.51 115.02 2wve n ALA 89 Ca 0.07 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 2wve n ALA 89 Cb 0.18 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 2wve n ALA 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wve s SER 90 N -4.35 7.27 0.00 0.00 0.15 -0.68 -4.96 113.70 111.13 2wve s SER 90 Ca 0.06 1.67 0.27 0.00 0.70 0.00 0.00 55.95 58.65 2wve s SER 90 Cb 0.10 -2.51 0.97 0.00 -1.71 0.00 0.00 66.02 62.87 2wve s SER 90 CO 0.46 0.02 1.71 0.61 1.20 0.00 0.00 173.24 177.24 2wve n GLY 91 N 0.83 -1.05 3.79 9.45 0.00 -1.26 -4.89 105.19 112.07 2wve n GLY 91 Ca -0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 2wve n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wve s THR 92 N -2.69 3.67 -0.24 2.61 -4.23 -1.26 -4.95 115.64 108.55 2wve s THR 92 Ca 0.21 0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 2wve s THR 92 Cb 0.19 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 2wve s THR 92 CO 0.55 -0.61 0.09 -1.00 -0.54 0.00 0.00 174.62 173.10 2wve s HIS 93 N -2.74 3.14 -0.26 3.99 0.09 0.14 -4.95 115.29 114.71 2wve s HIS 93 Ca 0.62 -0.21 -0.26 0.00 -0.00 0.00 0.00 55.06 55.21 2wve s HIS 93 Cb -0.16 -2.23 0.00 0.00 -0.00 0.00 0.00 32.58 30.19 2wve s HIS 93 CO 0.48 -0.20 0.92 0.08 -0.00 0.00 0.00 174.74 176.02 2wve s VAL 94 N 1.36 4.74 -0.04 -0.90 1.01 -1.26 -0.33 120.40 124.97 2wve s VAL 94 Ca 0.06 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 2wve s VAL 94 Cb -0.15 -4.22 -0.31 0.00 0.00 0.00 0.00 36.38 31.70 2wve s VAL 94 CO 0.04 -0.19 0.70 -0.07 0.00 0.00 0.00 175.10 175.59 2wve h LEU 95 N 9.43 0.63 -7.00 3.92 3.38 -1.17 -3.49 115.31 121.02 2wve h LEU 95 Ca -0.22 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 56.88 2wve h LEU 95 Cb 1.08 -0.21 -0.25 0.00 0.09 0.00 0.00 40.66 41.37 2wve h LEU 95 CO 0.93 1.77 0.43 0.00 0.09 0.00 0.00 178.44 181.66 2wve s THR 97 N 0.03 0.88 -0.12 0.00 -4.23 -1.26 -0.38 115.64 110.57 2wve s THR 97 Ca 0.02 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 2wve s THR 97 Cb -0.04 -0.81 0.02 0.00 1.34 0.00 0.00 72.50 73.01 2wve s THR 97 CO -0.04 -0.01 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.00 2wve s THR 98 N -0.75 1.44 -0.18 3.99 2.01 -0.55 -5.00 115.64 116.61 2wve s THR 98 Ca 0.00 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 2wve s THR 98 Cb -0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2wve s THR 98 CO 0.01 0.43 0.06 -1.00 -0.69 0.00 0.00 174.62 173.43 2wve s HIS 99 N 1.18 3.25 -0.06 4.92 3.76 -1.26 -1.47 115.29 125.60 2wve s HIS 99 Ca -0.03 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.98 2wve s HIS 99 Cb -0.14 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.49 2wve s HIS 99 CO -0.04 0.16 -0.16 -1.50 -0.85 0.00 0.00 174.74 172.34 2wve s ILE 100 N 0.33 1.43 -0.38 0.60 -1.16 0.14 -5.00 121.20 117.16 2wve s ILE 100 Ca 0.03 -0.67 -0.28 0.00 -0.51 0.00 0.00 60.65 59.21 2wve s ILE 100 Cb -0.12 -1.26 0.02 0.00 0.61 0.00 0.00 42.46 41.71 2wve s ILE 100 CO 0.00 0.42 1.05 -2.28 -2.81 0.00 0.00 174.94 171.32 2wve s HIS 101 N 0.38 3.03 -0.08 3.50 5.65 -1.26 -0.50 115.29 126.01 2wve s HIS 101 Ca -0.12 0.93 -0.01 0.00 0.25 0.00 0.00 55.06 56.11 2wve s HIS 101 Cb -0.15 -3.89 -0.00 0.00 -1.18 0.00 0.00 32.58 27.36 2wve s HIS 101 CO 0.04 -0.93 -0.03 0.52 -0.65 0.00 0.00 174.74 173.70 2wve h MET 102 N 8.53 0.00 0.00 2.88 0.00 -1.40 -3.48 114.93 121.45 2wve h MET 102 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.48 2wve h MET 102 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.67 2wve h MET 102 CO 1.05 0.00 0.00 -0.40 0.00 0.00 0.00 176.91 177.56 2wve n ASP 103 N -3.97 0.00 -0.33 1.22 5.68 -1.01 -4.99 116.55 113.15 2wve n ASP 103 Ca -0.01 -0.72 0.08 0.00 -0.50 0.00 0.00 54.79 53.64 2wve n ASP 103 Cb 0.04 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.27 2wve n ASP 103 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2wve h GLU 104 N 0.00 0.75 -0.16 0.11 4.57 -2.03 -3.03 114.58 114.80 2wve h GLU 104 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2wve h GLU 104 Cb 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2wve h GLU 104 CO 0.00 0.50 0.00 0.72 -1.18 0.00 0.00 179.01 179.05 2wve n HIS 105 N -4.76 0.36 -3.77 0.92 8.25 -1.26 -4.79 115.22 110.17 2wve n HIS 105 Ca 0.19 -0.70 -0.21 0.00 -0.26 0.00 0.00 57.72 56.74 2wve n HIS 105 Cb 0.44 -0.13 -0.17 0.00 1.12 0.00 0.00 29.99 31.24 2wve n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wve s ASN 106 N -1.63 1.24 -0.12 0.41 0.01 -1.15 -3.94 114.94 109.77 2wve s ASN 106 Ca 0.23 -0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.38 2wve s ASN 106 Cb 0.18 -0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.52 2wve s ASN 106 CO 0.07 -0.20 -0.16 0.00 -1.51 0.00 0.00 177.10 175.30 2wve s LEU 108 N 0.37 3.94 -0.05 0.00 0.20 0.34 -1.16 118.68 122.34 2wve s LEU 108 Ca -0.13 0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.88 2wve s LEU 108 Cb -0.16 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 2wve s LEU 108 CO 0.06 0.23 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.56 2wve s GLU 109 N 0.05 1.19 -0.16 1.98 2.12 0.72 0.26 118.70 124.85 2wve s GLU 109 Ca 0.07 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.08 2wve s GLU 109 Cb -0.12 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.18 2wve s GLU 109 CO 0.00 0.02 -0.03 0.95 -0.54 0.00 0.00 175.26 175.66 2wve s THR 110 N 0.60 3.91 -0.20 -1.70 -4.23 -0.54 -0.72 115.64 112.77 2wve s THR 110 Ca -0.10 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 2wve s THR 110 Cb -0.13 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.01 2wve s THR 110 CO 0.02 0.48 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.77 2wve s ILE 111 N 0.47 2.05 -0.31 2.99 1.01 0.22 -1.48 121.20 126.15 2wve s ILE 111 Ca -0.03 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 2wve s ILE 111 Cb -0.14 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 2wve s ILE 111 CO 0.03 0.39 0.42 -0.63 0.00 0.00 0.00 174.94 175.15 2wve s ILE 112 N 1.26 5.12 0.27 2.92 1.01 0.49 -0.31 121.20 131.95 2wve s ILE 112 Ca 0.02 0.43 0.11 0.00 0.00 0.00 0.00 60.65 61.21 2wve s ILE 112 Cb -0.15 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2wve s ILE 112 CO -0.11 -0.00 -0.14 -0.76 0.00 0.00 0.00 174.94 173.92 2wve s LEU 113 N 2.17 2.76 -0.05 2.97 1.43 0.28 -0.55 118.68 127.68 2wve s LEU 113 Ca 0.16 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 2wve s LEU 113 Cb -0.16 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.79 2wve s LEU 113 CO 0.11 0.04 0.13 -1.58 0.23 0.00 0.00 176.35 175.28 2wve s GLN 114 N -3.46 0.11 0.00 1.70 0.74 0.55 -2.17 119.66 117.13 2wve s GLN 114 Ca 0.29 0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.97 2wve s GLN 114 Cb -0.06 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 33.99 2wve s GLN 114 CO 0.16 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 2wve n GLY 115 N 3.63 -0.51 3.93 2.59 0.00 -0.79 0.28 105.19 114.31 2wve n GLY 115 Ca -0.20 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 5.81 0.33 1.61 2.20 -1.25 -1.66 114.94 117.99 2wve s ASN 116 Ca 0.00 0.57 0.05 0.00 -0.94 0.00 0.00 52.86 52.54 2wve s ASN 116 Cb 0.00 -1.73 0.58 0.00 -2.00 0.00 0.00 41.25 38.10 2wve s ASN 116 CO 0.00 -0.82 1.83 0.77 -2.94 0.00 0.00 177.10 175.94 2wve h SER 117 N 0.14 0.41 0.26 3.54 4.64 -1.85 -2.18 113.55 118.51 2wve h SER 117 Ca -0.46 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 2wve h SER 117 Cb 1.25 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2wve h SER 117 CO 0.59 0.57 -0.16 0.15 -0.87 0.00 0.00 176.83 177.11 2wve h PHE 118 N 0.40 -0.43 -0.63 4.77 3.57 -1.91 -1.43 116.94 121.28 2wve h PHE 118 Ca 0.08 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2wve h PHE 118 Cb 0.46 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2wve h PHE 118 CO 0.01 -0.26 0.07 0.93 -2.23 0.00 0.00 178.31 176.83 2wve h GLU 119 N -0.41 1.08 -0.52 1.11 4.39 -1.93 -0.52 114.58 117.77 2wve h GLU 119 Ca -0.03 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.28 2wve h GLU 119 Cb 0.35 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2wve h GLU 119 CO 0.02 1.01 -0.01 0.82 -1.16 0.00 0.00 179.01 179.69 2wve h ILE 120 N 0.99 1.26 0.01 3.13 2.04 -1.34 -1.24 117.51 122.36 2wve h ILE 120 Ca 0.19 -1.11 -0.23 0.00 1.00 0.00 0.00 64.86 64.71 2wve h ILE 120 Cb 0.48 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2wve h ILE 120 CO 0.02 0.39 -0.96 1.56 0.00 0.00 0.00 178.15 179.16 2wve h GLN 121 N 0.79 0.39 -0.98 2.37 4.20 -1.20 -1.88 115.11 118.80 2wve h GLN 121 Ca 0.14 -0.43 0.04 0.00 0.06 0.00 0.00 58.65 58.47 2wve h GLN 121 Cb 0.54 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2wve h GLN 121 CO 0.03 1.10 0.64 -0.09 -0.67 0.00 0.00 178.83 179.85 2wve h ARG 122 N 0.21 1.19 -0.16 1.46 2.43 -1.03 0.13 114.38 118.61 2wve h ARG 122 Ca -0.08 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2wve h ARG 122 Cb 1.60 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2wve h ARG 122 CO 0.16 0.79 0.06 1.25 -1.51 0.00 0.00 179.97 180.72 2wve h LEU 123 N 1.23 0.23 -0.42 3.80 6.46 -1.08 -0.54 115.31 124.99 2wve h LEU 123 Ca 0.40 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 2wve h LEU 123 Cb 0.03 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 2wve h LEU 123 CO -0.13 0.35 0.18 -0.61 -0.62 0.00 0.00 178.44 177.61 2wve h GLN 124 N 0.10 0.36 -0.19 1.25 4.15 -0.89 -1.13 115.11 118.76 2wve h GLN 124 Ca 0.05 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2wve h GLN 124 Cb 0.19 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2wve h GLN 124 CO -0.00 0.24 0.10 1.25 -1.93 0.00 0.00 178.83 178.48 2wve h LEU 125 N 0.37 0.15 -0.65 -2.39 5.85 -0.55 -0.58 115.31 117.52 2wve h LEU 125 Ca 0.19 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 2wve h LEU 125 Cb 0.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2wve h LEU 125 CO -0.16 0.12 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.68 2wve h GLU 126 N 0.21 1.01 -0.27 1.25 5.08 -0.87 -2.69 114.58 118.30 2wve h GLU 126 Ca 0.07 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2wve h GLU 126 Cb 0.01 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2wve h GLU 126 CO -0.04 1.02 -0.32 0.82 -1.00 0.00 0.00 179.01 179.48 2wve h ILE 127 N 0.91 1.31 0.00 3.13 1.08 -1.10 -3.21 117.51 119.62 2wve h ILE 127 Ca 0.15 -1.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.10 2wve h ILE 127 Cb 0.60 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 2wve h ILE 127 CO 0.04 0.48 -0.13 1.23 -0.69 0.00 0.00 178.15 179.08 2wve h GLY 128 N 0.43 0.00 -1.65 5.37 0.00 -1.02 -2.59 103.07 103.61 2wve h GLY 128 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2wve h GLY 128 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 2wve n GLY 129 N -0.77 1.18 3.83 4.60 0.00 -1.02 -4.92 105.19 108.08 2wve n GLY 129 Ca -0.02 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.11 4.39 -0.02 0.99 1.43 -0.98 -5.04 118.68 118.34 2wve s LEU 130 Ca 0.27 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 2wve s LEU 130 Cb 0.16 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 2wve s LEU 130 CO 0.15 0.13 1.40 -0.60 0.23 0.00 0.00 176.35 177.67 2wve s ARG 131 N -1.72 4.27 0.00 1.70 3.52 -1.26 -2.37 118.95 123.09 2wve s ARG 131 Ca 0.37 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 2wve s ARG 131 Cb -0.17 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2wve s ARG 131 CO 0.20 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 2wve n GLY 132 N 3.67 2.08 3.53 8.12 0.00 -1.26 -4.93 105.19 116.40 2wve n GLY 132 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.50 4.60 0.08 1.61 1.01 -1.00 -1.39 120.40 122.80 2wve s VAL 133 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.40 2wve s VAL 133 Cb 0.00 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 2wve s VAL 133 CO 0.00 -0.81 1.12 0.11 0.00 0.00 0.00 175.10 175.52 2wve h LYS 134 N 9.06 0.06 -2.72 2.72 1.79 -1.17 -3.46 116.57 122.84 2wve h LYS 134 Ca -0.25 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 57.99 2wve h LYS 134 Cb 1.08 0.04 -0.26 0.00 -1.58 0.00 0.00 32.23 31.51 2wve h LYS 134 CO 0.99 0.96 -0.29 0.12 -1.08 0.00 0.00 179.45 180.15 2wve s PHE 135 N -2.68 -0.51 -0.25 -1.35 5.36 -1.05 -4.98 117.98 112.52 2wve s PHE 135 Ca -0.02 1.16 -0.03 0.00 -0.96 0.00 0.00 56.93 57.08 2wve s PHE 135 Cb 0.09 0.20 0.14 0.00 -0.34 0.00 0.00 43.02 43.11 2wve s PHE 135 CO 0.83 -0.28 0.41 0.00 -1.46 0.00 0.00 175.22 174.73 2wve s ALA 136 N 0.88 -1.26 -0.00 11.12 0.00 -1.25 -1.28 121.76 129.97 2wve s ALA 136 Ca -0.05 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.05 2wve s ALA 136 Cb -0.06 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2wve s ALA 136 CO -0.07 -1.20 -0.08 0.15 0.00 0.00 0.00 175.76 174.56 2wve s LYS 137 N 2.60 0.66 -0.14 0.00 1.02 -0.49 -4.97 119.74 118.42 2wve s LYS 137 Ca 0.12 -0.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 2wve s LYS 137 Cb -0.15 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 2wve s LYS 137 CO -0.16 0.17 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.26 2wve s LEU 138 N -0.31 3.44 -0.27 3.17 2.96 -1.26 -0.52 118.68 125.90 2wve s LEU 138 Ca 0.02 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2wve s LEU 138 Cb -0.04 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2wve s LEU 138 CO -0.00 0.24 0.11 -0.89 -1.32 0.00 0.00 176.35 174.48 2wve s THR 139 N -0.04 4.56 -0.29 3.68 2.01 0.20 -4.97 115.64 120.79 2wve s THR 139 Ca 0.03 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 2wve s THR 139 Cb -0.13 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2wve s THR 139 CO 0.02 0.28 0.54 -0.54 -0.69 0.00 0.00 174.62 174.22 2wve s LYS 140 N 1.64 3.92 0.00 4.92 1.02 -1.26 -1.34 119.74 128.64 2wve s LYS 140 Ca 0.06 0.19 0.30 0.00 0.02 0.00 0.00 55.97 56.54 2wve s LYS 140 Cb -0.16 -3.71 1.40 0.00 -0.52 0.00 0.00 37.83 34.85 2wve s LYS 140 CO 0.06 -0.47 1.94 0.00 -0.92 0.00 0.00 175.35 175.96