#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s VAL 4 N 0.00 -0.02 -0.18 3.15 0.11 -1.26 -3.59 120.40 118.61 2wdi s VAL 4 Ca 0.00 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 2wdi s VAL 4 Cb 0.00 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 2wdi s VAL 4 CO 0.00 0.03 1.49 0.00 -3.33 0.00 0.00 175.10 173.29 2wdi h GLU 6 N 9.63 0.00 0.00 0.00 5.08 -1.68 0.49 114.58 128.10 2wdi h GLU 6 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2wdi h GLU 6 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2wdi h GLU 6 CO 0.99 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 178.11 2wdi n ILE 7 N -4.16 0.00 0.21 3.13 -0.00 -1.26 -4.64 119.36 112.64 2wdi n ILE 7 Ca 0.12 0.10 0.07 0.00 -0.00 0.00 0.00 62.75 63.04 2wdi n ILE 7 Cb 0.74 -0.81 0.46 0.00 -0.00 0.00 0.00 39.64 40.03 2wdi n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2wdi h SER 8 N 0.00 0.00 -0.18 4.38 4.64 -1.94 -3.47 113.55 116.99 2wdi h SER 8 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2wdi h SER 8 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2wdi h SER 8 CO 0.00 0.29 -0.06 0.61 -0.87 0.00 0.00 176.83 176.81 2wdi n GLY 9 N -0.28 0.55 3.77 -0.77 0.00 0.17 -4.98 105.19 103.64 2wdi n GLY 9 Ca -0.01 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 2wdi n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 10 N -2.53 4.29 0.16 1.61 1.02 -1.26 -4.58 119.74 118.46 2wdi s LYS 10 Ca 0.00 2.30 0.03 0.00 0.02 0.00 0.00 55.97 58.32 2wdi s LYS 10 Cb 0.00 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 2wdi s LYS 10 CO 0.00 -0.29 -0.06 -0.98 -0.92 0.00 0.00 175.35 173.11 2wdi s ARG 11 N -1.66 1.08 0.27 1.68 1.70 -1.26 -1.08 118.95 119.68 2wdi s ARG 11 Ca 0.51 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 53.98 2wdi s ARG 11 Cb -0.41 -0.48 -0.11 0.00 -0.57 0.00 0.00 34.95 33.38 2wdi s ARG 11 CO 0.54 -0.02 1.59 -1.25 -1.08 0.00 0.00 175.30 175.08 2wdi s PRO 12 N -3.82 4.15 0.17 3.89 0.04 -1.24 -4.75 135.00 133.44 2wdi s PRO 12 Ca 0.20 2.53 0.08 0.00 0.04 0.00 0.00 61.00 63.85 2wdi s PRO 12 Cb 0.04 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2wdi s PRO 12 CO 0.02 -0.62 -0.06 0.96 0.04 0.00 0.00 177.00 177.35 2wdi s ILE 13 N 0.22 3.43 0.36 0.56 -4.36 -0.98 -4.92 121.20 115.51 2wdi s ILE 13 Ca 0.65 -1.52 -0.24 0.00 -0.26 0.00 0.00 60.65 59.27 2wdi s ILE 13 Cb -0.47 -2.70 -0.10 0.00 1.25 0.00 0.00 42.46 40.44 2wdi s ILE 13 CO 0.44 -0.09 0.96 -0.69 0.24 0.00 0.00 174.94 175.80 2wdi s VAL 14 N -1.67 4.22 0.02 8.37 1.01 -1.26 -1.13 120.40 129.96 2wdi s VAL 14 Ca 0.26 1.68 -0.16 0.00 0.00 0.00 0.00 61.98 63.76 2wdi s VAL 14 Cb -0.09 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2wdi s VAL 14 CO 0.16 -0.01 0.35 0.00 0.00 0.00 0.00 175.10 175.60 2wdi s ALA 15 N -1.79 -0.83 0.35 5.51 0.00 0.17 -4.86 121.76 120.31 2wdi s ALA 15 Ca 0.54 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.74 2wdi s ALA 15 Cb -0.16 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2wdi s ALA 15 CO 0.21 -0.38 0.54 -0.80 0.00 0.00 0.00 175.76 175.33 2wdi s ASN 16 N -1.80 6.22 -0.31 0.00 0.01 -1.26 -1.03 114.94 116.76 2wdi s ASN 16 Ca -0.08 0.37 0.03 0.00 -0.71 0.00 0.00 52.86 52.47 2wdi s ASN 16 Cb -0.02 -1.91 0.09 0.00 0.41 0.00 0.00 41.25 39.81 2wdi s ASN 16 CO -0.00 -0.33 0.02 -0.55 -1.51 0.00 0.00 177.10 174.72 2wdi s SER 17 N -4.06 4.52 -0.40 -1.22 0.15 0.10 -4.92 113.70 107.88 2wdi s SER 17 Ca 0.41 -1.86 -0.17 0.00 0.70 0.00 0.00 55.95 55.02 2wdi s SER 17 Cb -0.10 -1.47 0.01 0.00 -1.71 0.00 0.00 66.02 62.76 2wdi s SER 17 CO 0.35 -0.34 0.45 -0.63 1.20 0.00 0.00 173.24 174.28 2wdi s ILE 18 N 1.08 5.07 -0.14 6.45 1.09 -1.26 -2.11 121.20 131.38 2wdi s ILE 18 Ca 0.06 -0.13 -0.25 0.00 -1.10 0.00 0.00 60.65 59.22 2wdi s ILE 18 Cb -0.19 -4.00 -0.02 0.00 -1.06 0.00 0.00 42.46 37.19 2wdi s ILE 18 CO -0.10 -0.34 0.81 -1.10 -0.10 0.00 0.00 174.94 174.11 2wdi s GLN 19 N 2.21 4.34 0.05 2.79 -1.52 -0.37 -4.99 119.66 122.17 2wdi s GLN 19 Ca 0.14 1.00 0.07 0.00 -1.95 0.00 0.00 55.36 54.62 2wdi s GLN 19 Cb -0.16 -3.54 -0.03 0.00 -0.22 0.00 0.00 33.01 29.06 2wdi s GLN 19 CO 0.14 -0.23 -0.19 1.03 -0.25 0.00 0.00 175.29 175.79 2wdi s ARG 20 N 1.81 1.21 0.01 2.91 0.52 -1.26 -1.15 118.95 123.00 2wdi s ARG 20 Ca 0.39 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2wdi s ARG 20 Cb -0.17 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 2wdi s ARG 20 CO 0.14 0.33 -0.03 1.03 0.02 0.00 0.00 175.30 176.79 2wdi s ARG 21 N -1.27 0.28 0.00 3.54 0.52 -0.75 -4.90 118.95 116.36 2wdi s ARG 21 Ca 0.05 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2wdi s ARG 21 Cb -0.09 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.30 2wdi s ARG 21 CO 0.02 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.76 2wdi n GLY 22 N 2.25 3.45 3.56 -3.53 0.00 -1.26 -1.12 105.19 108.54 2wdi n GLY 22 Ca -0.18 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2wdi n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdi s LYS 23 N -2.89 3.56 0.34 1.61 2.20 -1.17 -4.86 119.74 118.53 2wdi s LYS 23 Ca 0.00 -0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.33 2wdi s LYS 23 Cb 0.00 -3.86 -0.16 0.00 -1.51 0.00 0.00 37.83 32.31 2wdi s LYS 23 CO 0.00 -0.84 0.28 0.00 -0.36 0.00 0.00 175.35 174.43 2wdi n ALA 24 N 6.18 -2.76 0.09 3.13 0.00 -1.26 -3.44 120.51 122.45 2wdi n ALA 24 Ca -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 2wdi n ALA 24 Cb 0.48 -1.56 0.01 0.00 0.00 0.00 0.00 19.45 18.39 2wdi n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wdi h LYS 25 N 0.61 0.18 -0.05 0.00 3.64 -1.77 -2.79 116.57 116.39 2wdi h LYS 25 Ca -0.35 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2wdi h LYS 25 Cb 1.44 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.31 2wdi h LYS 25 CO 0.51 0.91 0.41 -0.09 -2.27 0.00 0.00 179.45 178.92 2wdi h ARG 26 N 0.11 0.00 0.00 1.90 2.43 -1.92 -3.39 114.38 113.50 2wdi h ARG 26 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wdi h ARG 26 Cb 1.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2wdi h ARG 26 CO 0.13 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.98 2wdi n GLU 27 N -2.93 0.00 0.00 0.20 1.02 -1.06 -5.02 120.64 112.85 2wdi n GLU 27 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2wdi n GLU 27 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 2wdi n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdi n GLY 28 N 5.00 -1.54 0.00 0.62 0.00 -1.21 -4.95 105.19 103.11 2wdi n GLY 28 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2wdi n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 29 N -0.66 -0.52 2.54 -0.02 0.00 -1.16 -4.96 105.19 100.42 2wdi n GLY 29 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2wdi n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdi n VAL 30 N 8.01 0.00 -4.83 1.61 0.24 -1.26 -4.20 118.33 117.91 2wdi n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdi n VAL 30 Cb 0.00 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 2wdi n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdi n GLY 31 N 0.13 0.56 3.20 7.63 0.00 -1.22 -4.85 105.19 110.63 2wdi n GLY 31 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 2wdi n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi s LYS 32 N 0.00 1.66 0.09 1.61 1.02 -1.26 -3.03 119.74 119.83 2wdi s LYS 32 Ca 0.00 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.36 2wdi s LYS 32 Cb 0.00 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 2wdi s LYS 32 CO 0.00 0.40 -0.12 0.15 -0.92 0.00 0.00 175.35 174.86 2wdi s LYS 33 N -0.38 2.12 -0.36 1.68 -0.14 -0.27 -5.01 119.74 117.38 2wdi s LYS 33 Ca 0.05 -1.01 -0.12 0.00 -1.36 0.00 0.00 55.97 53.53 2wdi s LYS 33 Cb -0.08 -2.29 0.01 0.00 -1.68 0.00 0.00 37.83 33.78 2wdi s LYS 33 CO -0.00 0.52 0.23 0.99 -0.76 0.00 0.00 175.35 176.33 2wdi s THR 34 N -1.15 4.96 0.19 2.17 2.01 -1.26 -1.81 115.64 120.75 2wdi s THR 34 Ca 0.20 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 2wdi s THR 34 Cb -0.11 -3.66 0.12 0.00 0.01 0.00 0.00 72.50 68.86 2wdi s THR 34 CO 0.12 -0.14 1.80 0.74 -0.69 0.00 0.00 174.62 176.45 2wdi h THR 35 N 5.66 1.22 0.00 -0.82 2.02 -1.48 -3.47 112.91 116.04 2wdi h THR 35 Ca -0.29 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2wdi h THR 35 Cb 1.13 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2wdi h THR 35 CO 0.67 0.24 0.00 0.61 0.37 0.00 0.00 175.52 177.41 2wdi n GLY 36 N -1.05 1.64 3.76 2.16 0.00 -1.20 -4.99 105.19 105.51 2wdi n GLY 36 Ca 0.06 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2wdi n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdi s ILE 37 N -0.87 4.56 -0.12 -0.61 1.01 -1.26 -1.23 121.20 122.68 2wdi s ILE 37 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 2wdi s ILE 37 Cb 0.00 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.43 2wdi s ILE 37 CO 0.00 0.28 0.72 -0.94 0.00 0.00 0.00 174.94 175.00 2wdi s SER 38 N -1.91 -0.66 0.83 3.58 1.04 -0.90 -4.97 113.70 110.71 2wdi s SER 38 Ca 0.24 0.88 -0.10 0.00 0.48 0.00 0.00 55.95 57.45 2wdi s SER 38 Cb -0.12 0.76 0.09 0.00 0.10 0.00 0.00 66.02 66.85 2wdi s SER 38 CO 0.16 -0.49 1.11 -0.54 0.98 0.00 0.00 173.24 174.46 2wdi s LYS 39 N -0.77 1.78 -0.23 4.02 3.01 -1.26 0.03 119.74 126.32 2wdi s LYS 39 Ca -0.07 1.31 -0.37 0.00 -1.01 0.00 0.00 55.97 55.83 2wdi s LYS 39 Cb -0.01 -1.83 0.15 0.00 -1.01 0.00 0.00 37.83 35.12 2wdi s LYS 39 CO 0.07 -2.02 1.35 -0.98 0.51 0.00 0.00 175.35 174.28 2wdi s ARG 40 N -4.81 0.10 0.08 1.68 1.04 -0.20 -4.75 118.95 112.10 2wdi s ARG 40 Ca 0.63 -0.04 0.08 0.00 -1.04 0.00 0.00 55.73 55.37 2wdi s ARG 40 Cb -0.19 0.05 -0.04 0.00 -2.04 0.00 0.00 34.95 32.73 2wdi s ARG 40 CO 0.57 -0.05 -0.20 -0.98 -0.04 0.00 0.00 175.30 174.60 2wdi s ARG 41 N -2.14 1.86 -0.23 3.89 1.70 -1.26 0.45 118.95 123.22 2wdi s ARG 41 Ca 0.12 -1.11 -0.08 0.00 -0.47 0.00 0.00 55.73 54.19 2wdi s ARG 41 Cb 0.00 -2.10 -0.04 0.00 -0.57 0.00 0.00 34.95 32.25 2wdi s ARG 41 CO -0.03 0.51 0.09 -0.65 -1.08 0.00 0.00 175.30 174.14 2wdi s GLN 42 N -1.72 3.83 0.15 3.89 -0.21 -0.28 -4.92 119.66 120.41 2wdi s GLN 42 Ca 0.15 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.06 2wdi s GLN 42 Cb -0.10 -3.36 -0.06 0.00 1.00 0.00 0.00 33.01 30.49 2wdi s GLN 42 CO 0.06 -0.03 0.43 0.71 -2.12 0.00 0.00 175.29 174.35 2wdi s TYR 43 N 1.21 3.49 -0.17 0.91 1.51 -1.26 -2.32 117.35 120.71 2wdi s TYR 43 Ca 0.05 0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 56.52 2wdi s TYR 43 Cb -0.14 -2.11 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 2wdi s TYR 43 CO 0.04 0.41 1.04 -2.14 -1.11 0.00 0.00 175.55 173.80 2wdi s PRO 44 N -2.51 4.32 -0.89 -1.71 0.02 -1.26 -4.88 135.00 128.09 2wdi s PRO 44 Ca 0.41 1.40 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 2wdi s PRO 44 Cb -0.12 -3.61 -0.19 0.00 0.02 0.00 0.00 34.50 30.60 2wdi s PRO 44 CO 0.22 -0.51 2.03 -1.71 -0.33 0.00 0.00 177.00 176.70 2wdi n ASN 45 N 5.80 0.87 -4.28 2.53 4.05 -1.26 -4.83 115.26 118.13 2wdi n ASN 45 Ca 0.11 -2.09 -0.31 0.00 0.45 0.00 0.00 54.58 52.74 2wdi n ASN 45 Cb 0.47 -1.53 -0.16 0.00 1.23 0.00 0.00 39.78 39.79 2wdi n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 2wdi s LEU 46 N 14.10 2.05 0.51 1.20 -0.00 -1.26 0.03 118.68 135.30 2wdi s LEU 46 Ca 0.75 -0.47 0.03 0.00 -0.00 0.00 0.00 54.13 54.44 2wdi s LEU 46 Cb -0.09 -1.32 -0.01 0.00 -0.00 0.00 0.00 46.19 44.78 2wdi s LEU 46 CO 0.16 0.29 0.09 -1.10 -0.00 0.00 0.00 176.35 175.78 2wdi s GLN 47 N -0.45 2.19 0.14 1.48 -1.52 -0.68 -4.89 119.66 115.93 2wdi s GLN 47 Ca 0.05 -2.29 -0.11 0.00 -1.95 0.00 0.00 55.36 51.06 2wdi s GLN 47 Cb -0.11 -1.66 -0.06 0.00 -0.22 0.00 0.00 33.01 30.95 2wdi s GLN 47 CO 0.01 -0.38 0.49 0.15 -0.25 0.00 0.00 175.29 175.31 2wdi s LYS 48 N -3.94 3.85 -0.11 2.91 3.01 -1.26 -1.63 119.74 122.57 2wdi s LYS 48 Ca 0.15 0.31 -0.01 0.00 -1.01 0.00 0.00 55.97 55.41 2wdi s LYS 48 Cb 0.02 -2.90 0.03 0.00 -1.01 0.00 0.00 37.83 33.96 2wdi s LYS 48 CO 0.08 0.48 -0.03 0.08 0.51 0.00 0.00 175.35 176.47 2wdi s VAL 49 N -1.51 0.70 0.09 3.17 1.01 0.77 -4.93 120.40 119.71 2wdi s VAL 49 Ca 0.38 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 2wdi s VAL 49 Cb -0.14 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 2wdi s VAL 49 CO 0.19 0.24 0.51 -0.13 0.00 0.00 0.00 175.10 175.92 2wdi s ARG 50 N 1.83 4.01 -0.01 2.72 0.52 -1.26 0.40 118.95 127.16 2wdi s ARG 50 Ca 0.04 0.52 -0.08 0.00 -0.52 0.00 0.00 55.73 55.68 2wdi s ARG 50 Cb -0.13 -3.08 0.01 0.00 0.52 0.00 0.00 34.95 32.26 2wdi s ARG 50 CO -0.07 0.58 0.18 0.54 0.02 0.00 0.00 175.30 176.54 2wdi s VAL 51 N -1.28 0.07 0.00 3.52 0.11 -1.04 -4.97 120.40 116.80 2wdi s VAL 51 Ca 0.32 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2wdi s VAL 51 Cb -0.17 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2wdi s VAL 51 CO 0.18 -0.30 0.53 -2.11 -3.33 0.00 0.00 175.10 170.07 2wdi n ARG 52 N 1.67 0.00 -1.45 1.54 1.85 -1.26 -4.19 116.66 114.82 2wdi n ARG 52 Ca -0.21 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2wdi n ARG 52 Cb 0.56 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.94 2wdi n ARG 52 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wdi n VAL 53 N -0.72 0.00 0.00 8.89 0.31 -1.26 -4.31 118.33 121.24 2wdi n VAL 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdi n VAL 53 Cb 0.00 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2wdi n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdi n ALA 54 N 0.91 0.00 0.02 3.52 0.00 -1.26 -3.55 120.51 120.15 2wdi n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdi n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 55 N 0.00 -0.03 3.44 0.00 0.00 -1.26 -5.08 105.19 102.25 2wdi n GLY 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wdi n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdi s GLN 56 N -2.00 -1.42 0.08 1.61 -1.52 -1.23 -4.99 119.66 110.18 2wdi s GLN 56 Ca 0.00 0.79 0.22 0.00 -1.95 0.00 0.00 55.36 54.41 2wdi s GLN 56 Cb 0.00 -1.50 -0.16 0.00 -0.22 0.00 0.00 33.01 31.13 2wdi s GLN 56 CO 0.00 -4.04 0.75 -1.91 -0.25 0.00 0.00 175.29 169.84 2wdi n GLU 57 N -5.14 0.63 -0.39 2.91 2.13 -1.26 -4.46 120.64 115.06 2wdi n GLU 57 Ca 0.03 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2wdi n GLU 57 Cb 0.54 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.57 2wdi n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2wdi n ILE 58 N -2.53 0.00 -4.95 6.31 3.06 -1.26 -2.76 119.36 117.23 2wdi n ILE 58 Ca -0.04 0.00 -0.32 0.00 -2.50 0.00 0.00 62.75 59.89 2wdi n ILE 58 Cb 0.61 -0.12 -0.14 0.00 0.54 0.00 0.00 39.64 40.53 2wdi n ILE 58 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2wdi s THR 59 N -0.02 2.73 0.28 9.51 -1.32 -1.26 -2.50 115.64 123.06 2wdi s THR 59 Ca 0.00 -0.93 0.07 0.00 -1.21 0.00 0.00 61.69 59.61 2wdi s THR 59 Cb 0.00 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 2wdi s THR 59 CO 0.00 0.53 0.28 -0.36 -2.21 0.00 0.00 174.62 172.86 2wdi s PHE 60 N -0.74 3.14 -0.40 9.09 0.08 0.16 -4.88 117.98 124.43 2wdi s PHE 60 Ca 0.12 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.04 2wdi s PHE 60 Cb -0.10 -1.59 0.15 0.00 -0.57 0.00 0.00 43.02 40.91 2wdi s PHE 60 CO 0.01 0.37 0.27 0.50 -0.10 0.00 0.00 175.22 176.27 2wdi s ARG 61 N -3.94 0.86 0.16 0.44 3.00 -1.26 -0.16 118.95 118.05 2wdi s ARG 61 Ca 0.36 -1.78 0.07 0.00 -1.00 0.00 0.00 55.73 53.39 2wdi s ARG 61 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 34.95 33.24 2wdi s ARG 61 CO 0.27 -1.26 -0.15 0.54 0.00 0.00 0.00 175.30 174.69 2wdi s VAL 62 N 0.52 1.59 0.86 7.11 0.11 -0.65 -1.69 120.40 128.24 2wdi s VAL 62 Ca 0.23 -1.95 -0.12 0.00 -2.93 0.00 0.00 61.98 57.21 2wdi s VAL 62 Cb -0.13 -1.80 0.11 0.00 -1.53 0.00 0.00 36.38 33.03 2wdi s VAL 62 CO -0.07 -0.46 1.18 0.00 -3.33 0.00 0.00 175.10 172.42 2wdi n ALA 63 N 0.14 -0.36 0.15 1.54 0.00 -1.26 -1.68 120.51 119.03 2wdi n ALA 63 Ca -0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 2wdi n ALA 63 Cb 0.58 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 2wdi n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi h ALA 64 N -1.35 -0.31 -0.65 0.00 0.00 -0.76 -2.47 119.26 113.72 2wdi h ALA 64 Ca -0.45 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.57 2wdi h ALA 64 Cb 1.29 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2wdi h ALA 64 CO 0.44 -0.65 0.99 0.66 0.00 0.00 0.00 179.25 180.69 2wdi h SER 65 N -0.35 0.00 0.00 0.00 4.64 -1.91 -0.88 113.55 115.06 2wdi h SER 65 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2wdi h SER 65 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wdi h SER 65 CO 0.05 0.00 -0.01 1.41 -0.87 0.00 0.00 176.83 177.42 2wdi n HIS 66 N -3.14 0.00 -0.16 4.77 -0.00 -0.94 -4.73 115.22 111.01 2wdi n HIS 66 Ca 0.14 -0.82 -0.08 0.00 -0.00 0.00 0.00 57.72 56.96 2wdi n HIS 66 Cb 1.20 -0.11 0.01 0.00 -0.00 0.00 0.00 29.99 31.08 2wdi n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wdi h ILE 67 N 0.09 1.20 -0.47 1.59 2.04 -0.97 -2.68 117.51 118.30 2wdi h ILE 67 Ca 0.00 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.35 2wdi h ILE 67 Cb 0.84 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 2wdi h ILE 67 CO 0.00 0.23 -0.03 1.55 0.00 0.00 0.00 178.15 179.90 2wdi h PRO 68 N 0.63 0.08 0.00 2.37 0.13 -1.85 0.53 132.00 133.89 2wdi h PRO 68 Ca 0.16 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2wdi h PRO 68 Cb 0.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.28 2wdi h PRO 68 CO -0.02 0.05 0.38 -0.22 -0.23 0.00 0.00 178.00 177.96 2wdi h LYS 69 N 0.08 0.00 0.01 0.86 1.63 -1.81 0.19 116.57 117.53 2wdi h LYS 69 Ca 0.23 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2wdi h LYS 69 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2wdi h LYS 69 CO -0.42 0.00 -0.01 0.28 -3.45 0.00 0.00 179.45 175.86 2wdi h VAL 70 N 0.00 1.43 0.00 2.00 2.07 0.11 -2.99 116.25 118.86 2wdi h VAL 70 Ca 0.00 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 2wdi h VAL 70 Cb 0.75 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2wdi h VAL 70 CO 0.00 0.35 -0.22 1.88 0.02 0.00 0.00 177.57 179.60 2wdi h TYR 71 N -0.60 0.00 -0.48 1.57 -1.99 -1.03 -2.28 116.97 112.16 2wdi h TYR 71 Ca -0.00 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.79 2wdi h TYR 71 Cb 0.58 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 2wdi h TYR 71 CO 0.13 0.22 0.17 1.49 -0.00 0.00 0.00 178.16 180.17 2wdi h GLU 72 N 0.00 0.34 0.00 4.88 4.22 -1.19 -2.17 114.58 120.67 2wdi h GLU 72 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2wdi h GLU 72 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2wdi h GLU 72 CO 0.03 0.22 0.00 1.28 -2.18 0.00 0.00 179.01 178.36 2wdi n LEU 73 N -5.00 0.17 -0.12 1.64 4.77 -0.87 -2.61 117.00 114.99 2wdi n LEU 73 Ca 0.04 0.76 0.05 0.00 -0.03 0.00 0.00 56.01 56.83 2wdi n LEU 73 Cb 0.18 -0.36 0.09 0.00 -2.33 0.00 0.00 43.42 41.01 2wdi n LEU 73 CO 0.25 -0.36 0.27 0.52 -1.33 0.00 0.00 177.39 176.74 2wdi n VAL 74 N -1.58 -0.14 0.00 4.08 0.31 -1.17 0.48 118.33 120.31 2wdi n VAL 74 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 2wdi n VAL 74 Cb 0.00 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 2wdi n VAL 74 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdi n GLU 75 N -4.33 0.00 -0.40 5.55 4.07 -0.82 -2.39 120.64 122.32 2wdi n GLU 75 Ca 0.08 0.49 -0.03 0.00 -0.06 0.00 0.00 57.16 57.64 2wdi n GLU 75 Cb 0.25 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 30.17 2wdi n GLU 75 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2wdi n ARG 76 N -1.98 0.80 0.00 5.31 1.85 0.18 -1.69 116.66 121.14 2wdi n ARG 76 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 2wdi n ARG 76 Cb 0.00 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 2wdi n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wdi n ALA 77 N 2.21 0.17 0.23 2.89 0.00 -0.30 -4.74 120.51 120.97 2wdi n ALA 77 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2wdi n ALA 77 Cb 0.38 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.26 2wdi n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdi h LYS 78 N 0.00 0.00 -1.78 0.00 1.57 -1.23 -2.84 116.57 112.29 2wdi h LYS 78 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2wdi h LYS 78 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 2wdi h LYS 78 CO 0.00 0.14 0.23 0.41 -0.57 0.00 0.00 179.45 179.66 2wdi n GLY 79 N 0.42 3.70 3.16 3.86 0.00 -1.26 -4.79 105.19 110.28 2wdi n GLY 79 Ca 0.01 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2wdi n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdi s LEU 80 N -1.30 1.44 -0.48 0.99 0.20 -1.07 -5.13 118.68 113.33 2wdi s LEU 80 Ca 0.35 -0.37 -0.11 0.00 0.69 0.00 0.00 54.13 54.70 2wdi s LEU 80 Cb 0.23 0.88 0.11 0.00 -0.43 0.00 0.00 46.19 46.99 2wdi s LEU 80 CO -0.05 -0.53 0.37 -0.75 -0.29 0.00 0.00 176.35 175.10 2wdi s LYS 81 N -2.43 2.63 -0.21 1.98 2.20 -1.26 -5.05 119.74 117.60 2wdi s LYS 81 Ca -0.06 -1.69 0.02 0.00 -0.36 0.00 0.00 55.97 53.88 2wdi s LYS 81 Cb -0.02 -3.99 0.04 0.00 -1.51 0.00 0.00 37.83 32.35 2wdi s LYS 81 CO -0.03 -1.18 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.12 2wdi s LEU 82 N 1.44 2.61 0.00 5.43 2.01 -1.26 -5.09 118.68 123.81 2wdi s LEU 82 Ca 0.05 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.24 2wdi s LEU 82 Cb -0.26 -1.46 0.00 0.00 0.01 0.00 0.00 46.19 44.47 2wdi s LEU 82 CO 0.01 -0.09 0.00 -0.62 1.01 0.00 0.00 176.35 176.66 2wdi n GLU 83 N 4.57 0.00 -0.69 1.70 4.71 -1.26 -4.74 120.64 124.93 2wdi n GLU 83 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2wdi n GLU 83 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.90 2wdi n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wdi n GLY 84 N 0.00 -3.76 3.54 0.62 0.00 -1.26 -4.28 105.19 100.04 2wdi n GLY 84 Ca 0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 2wdi n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdi n LEU 85 N -0.74 1.15 -2.40 0.99 4.77 -1.26 -4.41 117.00 115.10 2wdi n LEU 85 Ca 0.00 -2.11 -0.13 0.00 -0.03 0.00 0.00 56.01 53.74 2wdi n LEU 85 Cb 0.00 -1.27 0.03 0.00 -2.33 0.00 0.00 43.42 39.85 2wdi n LEU 85 CO 0.00 -3.06 0.09 -1.54 -1.33 0.00 0.00 177.39 171.55 2wdi n SER 86 N 15.87 3.38 -0.30 -1.43 3.41 -1.26 -4.85 113.62 128.45 2wdi n SER 86 Ca 0.42 -2.96 0.34 0.00 -0.26 0.00 0.00 58.87 56.41 2wdi n SER 86 Cb 0.45 -0.41 0.75 0.00 -0.26 0.00 0.00 64.21 64.74 2wdi n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wdi h PRO 87 N 2.39 0.00 -0.18 4.33 0.13 -1.92 2.58 132.00 139.33 2wdi h PRO 87 Ca 0.14 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 2wdi h PRO 87 Cb 1.41 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 2wdi h PRO 87 CO 0.50 0.00 -0.17 -0.22 -0.23 0.00 0.00 178.00 177.88 2wdi h LYS 88 N 0.00 0.43 -0.03 0.86 3.11 -1.96 -2.40 116.57 116.59 2wdi h LYS 88 Ca 0.54 -0.23 -0.22 0.00 -2.81 0.00 0.00 60.65 57.93 2wdi h LYS 88 Cb 2.17 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.42 2wdi h LYS 88 CO -0.01 0.79 -0.91 0.93 -2.81 0.00 0.00 179.45 177.45 2wdi h GLU 89 N 0.08 0.48 -0.59 1.90 5.08 0.15 -1.55 114.58 120.13 2wdi h GLU 89 Ca 0.03 -0.48 0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2wdi h GLU 89 Cb 0.71 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.03 2wdi h GLU 89 CO 0.04 1.12 0.25 0.82 -1.00 0.00 0.00 179.01 180.25 2wdi h ILE 90 N 0.29 0.83 0.07 3.13 1.08 0.37 2.94 117.51 126.22 2wdi h ILE 90 Ca -0.08 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2wdi h ILE 90 Cb 1.53 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2wdi h ILE 90 CO 0.16 0.08 -0.03 0.50 -0.69 0.00 0.00 178.15 178.17 2wdi h LYS 91 N 0.46 -0.09 -0.10 2.37 3.64 -1.42 -1.39 116.57 120.04 2wdi h LYS 91 Ca 0.29 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2wdi h LYS 91 Cb 0.31 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2wdi h LYS 91 CO -0.26 0.24 -0.45 -0.22 -2.27 0.00 0.00 179.45 176.49 2wdi h LYS 92 N -0.42 -0.47 0.00 1.90 1.63 -0.21 0.28 116.57 119.29 2wdi h LYS 92 Ca -0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2wdi h LYS 92 Cb 0.37 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2wdi h LYS 92 CO 0.02 -0.31 0.00 0.39 -3.45 0.00 0.00 179.45 176.09 2wdi n GLU 93 N -4.92 0.35 -1.36 1.90 -0.58 0.97 -2.80 120.64 114.21 2wdi n GLU 93 Ca -0.05 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.43 2wdi n GLU 93 Cb 0.31 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 2wdi n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wdi n LEU 94 N -0.85 6.71 0.00 -4.62 4.77 0.09 -4.73 117.00 118.37 2wdi n LEU 94 Ca 0.06 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.08 2wdi n LEU 94 Cb 0.03 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2wdi n LEU 94 CO 0.05 1.57 0.00 -0.11 -1.33 0.00 0.00 177.39 177.57 2wdi n LEU 95 N 0.40 0.49 0.00 2.23 7.94 -1.22 -5.02 117.00 121.82 2wdi n LEU 95 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2wdi n LEU 95 Cb 0.53 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2wdi n LEU 95 CO 0.41 -0.25 0.00 0.29 -1.11 0.00 0.00 177.39 176.73