#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s VAL 4 N 0.00 3.80 -0.00 3.15 0.11 -1.26 -3.90 120.40 122.30 2wdn s VAL 4 Ca 0.00 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 2wdn s VAL 4 Cb 0.00 -2.65 -0.06 0.00 -1.53 0.00 0.00 36.38 32.14 2wdn s VAL 4 CO 0.00 0.51 1.54 0.00 -3.33 0.00 0.00 175.10 173.82 2wdn h GLU 6 N 8.47 1.07 0.00 0.00 5.08 -1.87 0.27 114.58 127.60 2wdn h GLU 6 Ca -0.39 -0.14 -0.36 0.00 -1.00 0.00 0.00 59.36 57.48 2wdn h GLU 6 Cb 1.18 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2wdn h GLU 6 CO 0.93 0.81 -2.34 -0.89 -1.00 0.00 0.00 179.01 176.51 2wdn n ILE 7 N -4.34 1.34 0.30 3.13 -0.00 -1.26 -4.46 119.36 114.07 2wdn n ILE 7 Ca 0.07 -0.75 0.11 0.00 -0.00 0.00 0.00 62.75 62.19 2wdn n ILE 7 Cb 0.12 -0.71 -0.08 0.00 -0.00 0.00 0.00 39.64 38.97 2wdn n ILE 7 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2wdn n SER 8 N -2.84 0.45 0.00 4.38 3.41 -1.25 -4.94 113.62 112.84 2wdn n SER 8 Ca -0.34 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2wdn n SER 8 Cb 1.09 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 2wdn n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdn n GLY 9 N 1.31 0.24 3.74 5.00 0.00 0.95 -4.94 105.19 111.49 2wdn n GLY 9 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2wdn n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdn n LYS 10 N -0.88 1.94 -3.87 1.61 5.02 -1.25 -4.50 118.16 116.23 2wdn n LYS 10 Ca 0.00 0.70 -0.11 0.00 -2.02 0.00 0.00 58.31 56.88 2wdn n LYS 10 Cb 0.25 -2.55 -0.10 0.00 -0.02 0.00 0.00 35.03 32.61 2wdn n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wdn s ARG 11 N -2.58 0.52 -0.27 1.97 1.70 -1.26 0.34 118.95 119.37 2wdn s ARG 11 Ca 0.66 -0.43 -0.37 0.00 -0.47 0.00 0.00 55.73 55.12 2wdn s ARG 11 Cb -0.45 0.21 -0.13 0.00 -0.57 0.00 0.00 34.95 34.02 2wdn s ARG 11 CO 0.54 -0.13 1.95 -0.35 -1.08 0.00 0.00 175.30 176.24 2wdn n PRO 12 N 1.34 1.34 -4.13 3.89 -0.04 -1.25 -4.82 135.00 131.33 2wdn n PRO 12 Ca -0.22 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 2wdn n PRO 12 Cb 0.56 -2.36 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 2wdn n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wdn s ILE 13 N 5.15 4.70 0.30 0.52 -5.25 -0.89 -4.93 121.20 120.80 2wdn s ILE 13 Ca 1.02 -0.35 -0.20 0.00 -0.99 0.00 0.00 60.65 60.13 2wdn s ILE 13 Cb -0.91 -3.11 -0.09 0.00 2.95 0.00 0.00 42.46 41.30 2wdn s ILE 13 CO 0.56 0.41 0.81 -0.69 -1.79 0.00 0.00 174.94 174.24 2wdn s VAL 14 N -1.13 4.49 0.05 8.37 1.01 -1.26 -0.92 120.40 131.00 2wdn s VAL 14 Ca 0.21 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 2wdn s VAL 14 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2wdn s VAL 14 CO 0.11 0.01 0.07 0.00 0.00 0.00 0.00 175.10 175.29 2wdn n ALA 15 N 0.19 -0.10 -2.63 5.51 0.00 0.15 -4.90 120.51 118.73 2wdn n ALA 15 Ca 0.02 -0.19 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 2wdn n ALA 15 Cb 0.52 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 20.03 2wdn n ALA 15 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wdn s ASN 16 N -1.27 4.05 -0.41 0.00 0.01 -1.26 0.20 114.94 116.26 2wdn s ASN 16 Ca 0.03 -1.41 0.05 0.00 -0.71 0.00 0.00 52.86 50.83 2wdn s ASN 16 Cb -0.00 -0.12 0.19 0.00 0.41 0.00 0.00 41.25 41.73 2wdn s ASN 16 CO 0.02 -0.60 0.40 -0.24 -1.51 0.00 0.00 177.10 175.17 2wdn n SER 17 N -1.12 -0.24 -4.71 -1.22 2.88 0.12 -4.79 113.62 104.54 2wdn n SER 17 Ca -0.08 -2.48 -0.42 0.00 -1.33 0.00 0.00 58.87 54.56 2wdn n SER 17 Cb 0.67 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 2wdn n SER 17 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wdn s ILE 18 N -0.34 3.22 -0.30 2.46 1.01 -1.26 -3.28 121.20 122.70 2wdn s ILE 18 Ca 0.34 0.86 -0.10 0.00 0.00 0.00 0.00 60.65 61.75 2wdn s ILE 18 Cb 0.08 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2wdn s ILE 18 CO -0.17 0.06 0.16 -1.10 0.00 0.00 0.00 174.94 173.89 2wdn s GLN 19 N 1.19 3.51 0.07 2.79 -1.52 0.14 -4.98 119.66 120.86 2wdn s GLN 19 Ca 0.66 -0.60 0.09 0.00 -1.95 0.00 0.00 55.36 53.55 2wdn s GLN 19 Cb -0.38 -3.58 -0.03 0.00 -0.22 0.00 0.00 33.01 28.80 2wdn s GLN 19 CO 0.30 -0.34 -0.22 1.03 -0.25 0.00 0.00 175.29 175.80 2wdn s ARG 20 N 1.66 1.82 0.04 2.91 0.52 -1.26 0.19 118.95 124.82 2wdn s ARG 20 Ca 0.06 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.15 2wdn s ARG 20 Cb -0.17 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 2wdn s ARG 20 CO 0.07 0.51 -0.05 1.03 0.02 0.00 0.00 175.30 176.88 2wdn s ARG 21 N -1.58 0.49 0.00 3.54 0.52 -0.19 -4.91 118.95 116.82 2wdn s ARG 21 Ca 0.14 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2wdn s ARG 21 Cb -0.10 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.34 2wdn s ARG 21 CO 0.05 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.75 2wdn n GLY 22 N 1.10 2.77 3.66 -3.53 0.00 -1.26 -1.97 105.19 105.96 2wdn n GLY 22 Ca -0.20 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2wdn n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdn s LYS 23 N -2.85 4.26 0.99 1.61 2.20 -1.26 -4.84 119.74 119.85 2wdn s LYS 23 Ca 0.00 1.30 -0.16 0.00 -0.36 0.00 0.00 55.97 56.75 2wdn s LYS 23 Cb 0.00 -3.63 0.09 0.00 -1.51 0.00 0.00 37.83 32.77 2wdn s LYS 23 CO 0.00 -0.59 -0.07 0.00 -0.36 0.00 0.00 175.35 174.33 2wdn n ALA 24 N 6.19 -1.92 -0.07 3.13 0.00 -1.26 -3.59 120.51 123.00 2wdn n ALA 24 Ca 0.11 -1.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 2wdn n ALA 24 Cb 0.46 -0.96 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 2wdn n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdn n LYS 25 N -0.92 0.67 0.28 0.00 3.00 -1.26 -2.54 118.16 117.39 2wdn n LYS 25 Ca 0.03 0.14 0.18 0.00 -0.00 0.00 0.00 58.31 58.66 2wdn n LYS 25 Cb 0.45 -1.63 0.76 0.00 0.00 0.00 0.00 35.03 34.61 2wdn n LYS 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wdn h ARG 26 N 0.01 0.00 0.00 1.64 2.43 -1.96 -3.42 114.38 113.08 2wdn h ARG 26 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2wdn h ARG 26 Cb 2.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 2wdn h ARG 26 CO 0.04 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.89 2wdn n GLU 27 N -3.05 0.59 0.00 0.20 1.02 -1.25 -5.05 120.64 113.10 2wdn n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wdn n GLU 27 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 2wdn n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdn n GLY 28 N 5.00 -0.40 0.00 0.62 0.00 -1.23 -4.96 105.19 104.22 2wdn n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdn n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 29 N 0.00 1.56 4.62 -0.02 0.00 -1.05 -4.82 105.19 105.48 2wdn n GLY 29 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2wdn n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdn n VAL 30 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.55 118.33 114.37 2wdn n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdn n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdn n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdn n GLY 31 N -0.29 0.44 3.80 7.63 0.00 -1.24 -4.99 105.19 110.54 2wdn n GLY 31 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 2wdn n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn s LYS 32 N -1.60 3.06 -0.01 1.61 1.02 -1.26 -4.05 119.74 118.50 2wdn s LYS 32 Ca 0.00 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2wdn s LYS 32 Cb 0.00 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 2wdn s LYS 32 CO 0.00 0.62 -0.10 0.15 -0.92 0.00 0.00 175.35 175.10 2wdn s LYS 33 N -2.03 0.82 0.20 1.68 -0.14 -0.83 -5.00 119.74 114.43 2wdn s LYS 33 Ca 0.26 -0.36 -0.24 0.00 -1.36 0.00 0.00 55.97 54.27 2wdn s LYS 33 Cb -0.12 -0.79 -0.08 0.00 -1.68 0.00 0.00 37.83 35.15 2wdn s LYS 33 CO 0.18 0.22 0.79 0.99 -0.76 0.00 0.00 175.35 176.76 2wdn s THR 34 N -0.24 4.40 -0.03 2.17 2.01 -1.26 -1.02 115.64 121.67 2wdn s THR 34 Ca 0.04 1.61 0.09 0.00 0.31 0.00 0.00 61.69 63.74 2wdn s THR 34 Cb -0.04 -4.05 -0.14 0.00 0.01 0.00 0.00 72.50 68.28 2wdn s THR 34 CO -0.00 0.38 0.18 1.07 -0.69 0.00 0.00 174.62 175.56 2wdn n THR 35 N 1.21 0.11 -3.54 -0.82 5.66 0.49 -4.93 114.28 112.47 2wdn n THR 35 Ca -0.04 -0.25 -0.08 0.00 -3.05 0.00 0.00 64.05 60.64 2wdn n THR 35 Cb 0.49 0.09 -0.03 0.00 -1.55 0.00 0.00 70.33 69.34 2wdn n THR 35 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2wdn s GLY 36 N -3.28 -0.38 -0.26 1.09 0.00 -1.13 -4.97 107.32 98.39 2wdn s GLY 36 Ca -0.04 1.36 -0.01 0.00 0.00 0.00 0.00 44.72 46.03 2wdn s GLY 36 CO 0.39 0.51 0.33 -0.42 0.00 0.00 0.00 173.10 173.91 2wdn s ILE 37 N -2.58 -0.49 -0.02 0.90 1.01 -1.26 0.25 121.20 119.00 2wdn s ILE 37 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 2wdn s ILE 37 Cb -0.01 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2wdn s ILE 37 CO -0.06 -0.29 0.07 -0.55 0.00 0.00 0.00 174.94 174.11 2wdn s SER 38 N 2.44 5.67 -0.07 3.58 0.15 -1.21 -4.90 113.70 119.37 2wdn s SER 38 Ca 0.10 0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.65 2wdn s SER 38 Cb -0.14 -1.64 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 2wdn s SER 38 CO -0.24 0.30 0.88 -0.75 1.20 0.00 0.00 173.24 174.62 2wdn s LYS 39 N -1.56 4.45 0.10 5.44 2.47 -1.26 -0.70 119.74 128.67 2wdn s LYS 39 Ca 0.21 1.18 0.01 0.00 -1.56 0.00 0.00 55.97 55.81 2wdn s LYS 39 Cb -0.12 -3.50 -0.00 0.00 -1.46 0.00 0.00 37.83 32.75 2wdn s LYS 39 CO 0.11 -0.13 0.11 2.89 0.16 0.00 0.00 175.35 178.50 2wdn n ARG 40 N 4.35 0.15 -3.81 4.03 -4.01 0.13 -4.94 116.66 112.56 2wdn n ARG 40 Ca 0.04 -0.90 -0.12 0.00 -1.04 0.00 0.00 57.85 55.83 2wdn n ARG 40 Cb 0.50 0.78 -0.10 0.00 -3.04 0.00 0.00 32.46 30.61 2wdn n ARG 40 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 2wdn s ARG 41 N -2.32 0.52 -0.17 2.89 1.70 -1.26 0.32 118.95 120.62 2wdn s ARG 41 Ca 0.10 -0.16 -0.08 0.00 -0.47 0.00 0.00 55.73 55.13 2wdn s ARG 41 Cb 0.00 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2wdn s ARG 41 CO 0.07 -0.13 0.09 -0.65 -1.08 0.00 0.00 175.30 173.61 2wdn s GLN 42 N -1.05 3.85 0.02 3.89 -0.21 -0.10 -4.94 119.66 121.13 2wdn s GLN 42 Ca -0.11 -0.28 -0.06 0.00 0.02 0.00 0.00 55.36 54.93 2wdn s GLN 42 Cb -0.05 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 2wdn s GLN 42 CO 0.02 0.41 0.27 0.71 -2.12 0.00 0.00 175.29 174.59 2wdn s TYR 43 N 0.00 3.56 0.26 0.91 1.51 -1.26 -2.08 117.35 120.25 2wdn s TYR 43 Ca 0.07 0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 56.39 2wdn s TYR 43 Cb -0.12 -1.97 -0.09 0.00 -0.11 0.00 0.00 41.96 39.66 2wdn s TYR 43 CO 0.00 0.59 1.21 -2.14 -1.11 0.00 0.00 175.55 174.11 2wdn s PRO 44 N -1.89 4.49 -0.64 -1.71 0.02 -1.26 -4.84 135.00 129.16 2wdn s PRO 44 Ca 0.29 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.24 2wdn s PRO 44 Cb -0.13 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 2wdn s PRO 44 CO 0.18 -0.04 1.85 -1.71 -0.33 0.00 0.00 177.00 176.95 2wdn n ASN 45 N 1.60 3.66 -4.68 2.53 4.05 -1.26 -4.87 115.26 116.29 2wdn n ASN 45 Ca 0.02 -2.22 -0.40 0.00 0.45 0.00 0.00 54.58 52.43 2wdn n ASN 45 Cb 0.44 -0.93 -0.05 0.00 1.23 0.00 0.00 39.78 40.47 2wdn n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 2wdn s LEU 46 N 0.07 4.20 0.50 1.20 -0.00 -1.26 -2.21 118.68 121.18 2wdn s LEU 46 Ca 0.30 0.98 0.06 0.00 -0.00 0.00 0.00 54.13 55.47 2wdn s LEU 46 Cb 0.08 -2.99 0.02 0.00 -0.00 0.00 0.00 46.19 43.30 2wdn s LEU 46 CO -0.02 -0.25 0.37 -1.10 -0.00 0.00 0.00 176.35 175.35 2wdn s GLN 47 N 1.63 2.30 0.18 1.48 -1.52 -0.78 -4.88 119.66 118.06 2wdn s GLN 47 Ca 0.32 -1.91 -0.05 0.00 -1.95 0.00 0.00 55.36 51.78 2wdn s GLN 47 Cb -0.16 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.44 2wdn s GLN 47 CO 0.12 -0.48 0.42 0.15 -0.25 0.00 0.00 175.29 175.25 2wdn s LYS 48 N -4.21 3.62 -0.38 2.91 3.01 -1.26 -2.30 119.74 121.14 2wdn s LYS 48 Ca 0.37 -0.08 0.01 0.00 -1.01 0.00 0.00 55.97 55.26 2wdn s LYS 48 Cb -0.02 -2.80 0.14 0.00 -1.01 0.00 0.00 37.83 34.14 2wdn s LYS 48 CO 0.23 0.41 0.21 0.08 0.51 0.00 0.00 175.35 176.79 2wdn s VAL 49 N -1.76 0.59 -0.15 3.17 1.01 0.28 -4.94 120.40 118.59 2wdn s VAL 49 Ca 0.42 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 2wdn s VAL 49 Cb -0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2wdn s VAL 49 CO 0.26 -0.94 1.30 -0.13 0.00 0.00 0.00 175.10 175.58 2wdn s ARG 50 N 0.87 4.23 0.03 2.72 0.52 -1.26 -2.05 118.95 124.00 2wdn s ARG 50 Ca 0.17 1.71 0.03 0.00 -0.52 0.00 0.00 55.73 57.13 2wdn s ARG 50 Cb -0.23 -3.78 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 2wdn s ARG 50 CO -0.01 -0.71 -0.10 0.54 0.02 0.00 0.00 175.30 175.04 2wdn s VAL 51 N 3.52 0.76 0.02 3.52 0.11 -1.18 -5.03 120.40 122.13 2wdn s VAL 51 Ca 0.56 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.64 2wdn s VAL 51 Cb -0.23 -0.73 -0.06 0.00 -1.53 0.00 0.00 36.38 33.83 2wdn s VAL 51 CO 0.16 -0.11 1.17 0.03 -3.33 0.00 0.00 175.10 173.03 2wdn h ARG 52 N 5.00 -0.36 -5.95 1.54 2.47 -1.83 -3.35 114.38 111.89 2wdn h ARG 52 Ca -0.35 0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.21 2wdn h ARG 52 Cb 1.19 0.08 0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2wdn h ARG 52 CO 0.44 -0.24 -0.91 0.28 0.56 0.00 0.00 179.97 180.10 2wdn n VAL 53 N -3.18 -7.11 0.00 2.04 0.31 -1.26 -3.99 118.33 105.13 2wdn n VAL 53 Ca -0.05 0.56 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2wdn n VAL 53 Cb 0.16 -5.19 0.00 0.00 -0.91 0.00 0.00 33.84 27.90 2wdn n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdn n ALA 54 N -0.04 0.00 0.66 3.52 0.00 -1.26 -3.45 120.51 119.95 2wdn n ALA 54 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2wdn n ALA 54 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 2wdn n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdn n GLY 55 N 0.00 -1.18 0.00 0.00 0.00 -1.26 -4.97 105.19 97.78 2wdn n GLY 55 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wdn n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdn n GLN 56 N -1.85 0.96 -0.04 1.61 1.13 -1.22 -5.06 117.38 112.91 2wdn n GLN 56 Ca 0.02 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.07 2wdn n GLN 56 Cb 0.41 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.67 2wdn n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2wdn n GLU 57 N -0.98 1.46 -0.43 -1.09 2.13 -1.26 -4.45 120.64 116.01 2wdn n GLU 57 Ca 0.00 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2wdn n GLU 57 Cb 0.00 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.41 2wdn n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2wdn n ILE 58 N -2.25 -0.02 -4.03 6.31 3.06 -1.26 -3.12 119.36 118.05 2wdn n ILE 58 Ca -0.13 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.77 2wdn n ILE 58 Cb 0.68 -0.33 -0.13 0.00 0.54 0.00 0.00 39.64 40.40 2wdn n ILE 58 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wdn s THR 59 N 0.00 3.79 0.18 9.51 -4.23 -1.26 -3.09 115.64 120.54 2wdn s THR 59 Ca 0.00 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 2wdn s THR 59 Cb 0.00 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.07 2wdn s THR 59 CO 0.00 0.42 0.42 -0.36 -0.54 0.00 0.00 174.62 174.56 2wdn s PHE 60 N 1.15 3.47 -0.68 3.99 0.08 -0.87 -4.82 117.98 120.30 2wdn s PHE 60 Ca 0.03 0.57 0.05 0.00 0.12 0.00 0.00 56.93 57.70 2wdn s PHE 60 Cb -0.14 -2.02 0.18 0.00 -0.57 0.00 0.00 43.02 40.46 2wdn s PHE 60 CO 0.01 0.37 0.50 -2.13 -0.10 0.00 0.00 175.22 173.87 2wdn n ARG 61 N -0.18 1.73 -4.21 0.44 0.00 -1.26 0.99 116.66 114.17 2wdn n ARG 61 Ca -0.02 -4.38 -0.30 0.00 -0.00 0.00 0.00 57.85 53.15 2wdn n ARG 61 Cb 0.52 -2.23 -0.09 0.00 0.00 0.00 0.00 32.46 30.66 2wdn n ARG 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wdn s VAL 62 N -1.40 3.47 0.80 5.15 0.11 -0.97 -3.03 120.40 124.53 2wdn s VAL 62 Ca 0.27 -1.24 -0.11 0.00 -2.93 0.00 0.00 61.98 57.97 2wdn s VAL 62 Cb -0.02 -2.64 0.07 0.00 -1.53 0.00 0.00 36.38 32.27 2wdn s VAL 62 CO -0.16 0.10 1.10 0.00 -3.33 0.00 0.00 175.10 172.80 2wdn s ALA 63 N -1.26 2.08 0.18 1.54 0.00 -1.26 -1.87 121.76 121.18 2wdn s ALA 63 Ca 0.22 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 2wdn s ALA 63 Cb -0.11 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 19.82 2wdn s ALA 63 CO 0.15 -1.94 1.83 0.00 0.00 0.00 0.00 175.76 175.79 2wdn h ALA 64 N -1.25 0.75 -0.29 0.00 0.00 -1.82 -2.73 119.26 113.92 2wdn h ALA 64 Ca -0.44 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.49 2wdn h ALA 64 Cb 1.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2wdn h ALA 64 CO 0.51 0.21 0.68 0.66 0.00 0.00 0.00 179.25 181.32 2wdn h SER 65 N 0.79 0.00 0.00 0.00 4.64 -1.93 0.19 113.55 117.25 2wdn h SER 65 Ca 0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 2wdn h SER 65 Cb -0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 2wdn h SER 65 CO -0.04 0.00 -0.40 1.41 -0.87 0.00 0.00 176.83 176.93 2wdn n HIS 66 N -3.05 0.00 0.10 4.77 -0.00 -1.04 -4.76 115.22 111.24 2wdn n HIS 66 Ca 0.05 -1.03 0.00 0.00 -0.00 0.00 0.00 57.72 56.74 2wdn n HIS 66 Cb 0.80 -0.18 0.32 0.00 -0.00 0.00 0.00 29.99 30.93 2wdn n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wdn h ILE 67 N 2.09 1.23 -0.47 1.59 2.04 -0.50 -2.71 117.51 120.79 2wdn h ILE 67 Ca -0.03 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 2wdn h ILE 67 Cb 1.16 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2wdn h ILE 67 CO 0.01 0.33 -0.05 1.55 0.00 0.00 0.00 178.15 179.99 2wdn h PRO 68 N 0.23 0.86 -1.53 2.37 0.13 -1.86 -2.88 132.00 129.33 2wdn h PRO 68 Ca 0.04 -0.30 0.45 0.00 -0.87 0.00 0.00 66.00 65.31 2wdn h PRO 68 Cb 0.56 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.55 2wdn h PRO 68 CO 0.04 0.94 1.08 -0.22 -0.23 0.00 0.00 178.00 179.60 2wdn h LYS 69 N 0.71 0.03 0.08 0.86 1.63 -1.83 0.74 116.57 118.79 2wdn h LYS 69 Ca 0.13 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2wdn h LYS 69 Cb 0.58 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 2wdn h LYS 69 CO 0.03 0.02 -0.04 0.28 -3.45 0.00 0.00 179.45 176.29 2wdn h VAL 70 N 0.03 1.14 -0.16 2.00 2.07 -1.58 -2.01 116.25 117.74 2wdn h VAL 70 Ca 0.76 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2wdn h VAL 70 Cb 2.90 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 34.35 2wdn h VAL 70 CO -0.08 0.21 -0.02 1.88 0.02 0.00 0.00 177.57 179.58 2wdn h TYR 71 N -0.52 0.23 0.00 1.57 -1.99 0.34 0.53 116.97 117.13 2wdn h TYR 71 Ca -0.01 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 2wdn h TYR 71 Cb 0.44 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 2wdn h TYR 71 CO 0.06 0.26 -0.16 1.49 -0.00 0.00 0.00 178.16 179.81 2wdn h GLU 72 N 0.23 0.00 0.00 4.88 4.22 -1.11 -3.02 114.58 119.78 2wdn h GLU 72 Ca 0.05 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.31 2wdn h GLU 72 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2wdn h GLU 72 CO 0.01 0.16 -0.90 -0.07 -2.18 0.00 0.00 179.01 176.03 2wdn h LEU 73 N 0.00 0.00 -0.92 1.64 3.38 -0.13 -2.15 115.31 117.13 2wdn h LEU 73 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2wdn h LEU 73 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2wdn h LEU 73 CO 0.02 0.84 -0.53 0.58 0.09 0.00 0.00 178.44 179.44 2wdn h VAL 74 N 0.00 1.34 0.00 1.22 2.07 -1.31 -3.17 116.25 116.40 2wdn h VAL 74 Ca -0.03 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2wdn h VAL 74 Cb 1.66 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2wdn h VAL 74 CO 0.11 0.52 0.00 1.21 0.02 0.00 0.00 177.57 179.42 2wdn n GLU 75 N -3.86 0.00 -0.29 1.57 4.07 -1.17 -3.07 120.64 117.89 2wdn n GLU 75 Ca -0.01 0.37 -0.01 0.00 -0.06 0.00 0.00 57.16 57.44 2wdn n GLU 75 Cb 0.55 -1.18 -0.02 0.00 -0.06 0.00 0.00 31.44 30.73 2wdn n GLU 75 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2wdn n ARG 76 N -1.60 0.58 0.00 5.31 1.85 -0.82 -0.13 116.66 121.85 2wdn n ARG 76 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2wdn n ARG 76 Cb 0.00 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 2wdn n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wdn n ALA 77 N 2.03 0.00 -0.02 2.89 0.00 -1.20 -4.88 120.51 119.34 2wdn n ALA 77 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2wdn n ALA 77 Cb 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 2wdn n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdn h LYS 78 N 0.00 0.01 -1.98 0.00 1.57 -0.46 -3.09 116.57 112.63 2wdn h LYS 78 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wdn h LYS 78 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wdn h LYS 78 CO 0.00 0.50 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 2wdn n GLY 79 N 0.22 1.34 3.04 3.86 0.00 -1.26 -4.66 105.19 107.73 2wdn n GLY 79 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2wdn n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdn s LEU 80 N 0.00 2.35 -0.47 0.99 0.20 -1.17 -5.12 118.68 115.46 2wdn s LEU 80 Ca 0.00 -0.72 -0.13 0.00 0.69 0.00 0.00 54.13 53.97 2wdn s LEU 80 Cb 0.00 0.11 0.09 0.00 -0.43 0.00 0.00 46.19 45.97 2wdn s LEU 80 CO 0.00 -0.42 0.37 -0.75 -0.29 0.00 0.00 176.35 175.26 2wdn s LYS 81 N -2.55 2.79 -0.06 1.98 2.20 -1.26 -5.05 119.74 117.79 2wdn s LYS 81 Ca -0.05 -1.52 0.03 0.00 -0.36 0.00 0.00 55.97 54.06 2wdn s LYS 81 Cb -0.02 -4.03 0.01 0.00 -1.51 0.00 0.00 37.83 32.27 2wdn s LYS 81 CO -0.05 -1.10 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.19 2wdn s LEU 82 N 1.53 1.78 0.00 5.43 2.01 -1.26 -5.10 118.68 123.06 2wdn s LEU 82 Ca 0.04 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.83 2wdn s LEU 82 Cb -0.25 -0.94 0.00 0.00 0.01 0.00 0.00 46.19 45.01 2wdn s LEU 82 CO 0.03 0.08 0.00 -0.62 1.01 0.00 0.00 176.35 176.85 2wdn n GLU 83 N 3.61 0.00 -2.06 1.70 4.71 -1.26 -4.85 120.64 122.49 2wdn n GLU 83 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 2wdn n GLU 83 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 2wdn n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wdn n GLY 84 N 0.00 -5.35 3.56 0.62 0.00 -1.26 -4.37 105.19 98.39 2wdn n GLY 84 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 2wdn n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdn n LEU 85 N 1.48 1.51 -3.05 0.99 4.77 -1.26 -4.53 117.00 116.91 2wdn n LEU 85 Ca 0.00 -2.43 -0.16 0.00 -0.03 0.00 0.00 56.01 53.40 2wdn n LEU 85 Cb 0.00 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 39.53 2wdn n LEU 85 CO 0.00 -3.20 -0.17 -1.54 -1.33 0.00 0.00 177.39 171.15 2wdn n SER 86 N 17.70 0.77 -0.29 -1.43 3.41 -1.26 -4.97 113.62 127.54 2wdn n SER 86 Ca 0.42 -2.97 0.09 0.00 -0.26 0.00 0.00 58.87 56.15 2wdn n SER 86 Cb 0.46 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.14 2wdn n SER 86 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wdn n PRO 87 N 0.20 -0.07 -0.22 4.33 -0.04 -1.26 0.23 135.00 138.17 2wdn n PRO 87 Ca 0.20 1.25 0.01 0.00 -0.04 0.00 0.00 63.50 64.93 2wdn n PRO 87 Cb 0.70 -1.93 0.25 0.00 -0.04 0.00 0.00 33.50 32.47 2wdn n PRO 87 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wdn h LYS 88 N 0.00 0.98 -0.35 0.54 1.63 -1.97 -2.62 116.57 114.77 2wdn h LYS 88 Ca 0.45 -0.06 -0.15 0.00 -0.85 0.00 0.00 60.65 60.04 2wdn h LYS 88 Cb 0.83 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 2wdn h LYS 88 CO -0.80 0.65 -0.37 0.93 -3.45 0.00 0.00 179.45 176.40 2wdn h GLU 89 N 1.01 0.83 -0.91 1.90 5.08 0.26 -2.51 114.58 120.23 2wdn h GLU 89 Ca 0.29 -0.42 0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2wdn h GLU 89 Cb -0.07 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 2wdn h GLU 89 CO -0.07 1.06 0.59 0.82 -1.00 0.00 0.00 179.01 180.41 2wdn h ILE 90 N 0.68 0.71 0.22 3.13 1.08 -0.93 1.81 117.51 124.21 2wdn h ILE 90 Ca 0.06 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2wdn h ILE 90 Cb 0.93 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2wdn h ILE 90 CO 0.09 0.09 -0.10 0.50 -0.69 0.00 0.00 178.15 178.03 2wdn h LYS 91 N 0.51 -0.28 -0.06 2.37 3.64 -1.41 -1.52 116.57 119.82 2wdn h LYS 91 Ca 0.48 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.91 2wdn h LYS 91 Cb 1.05 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2wdn h LYS 91 CO -0.21 -0.19 -0.10 1.57 -2.27 0.00 0.00 179.45 178.25 2wdn h LYS 92 N -0.45 -0.14 0.00 1.90 5.09 -1.03 0.35 116.57 122.29 2wdn h LYS 92 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2wdn h LYS 92 Cb 0.22 0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.59 2wdn h LYS 92 CO 0.05 -0.09 0.00 0.39 -2.09 0.00 0.00 179.45 177.71 2wdn n GLU 93 N -5.24 0.20 -0.50 0.07 -0.58 0.61 0.46 120.64 115.67 2wdn n GLU 93 Ca -0.04 0.06 0.09 0.00 -0.42 0.00 0.00 57.16 56.85 2wdn n GLU 93 Cb 0.16 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 29.85 2wdn n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2wdn n LEU 94 N -1.08 4.19 0.00 -4.62 0.00 0.12 -4.89 117.00 110.72 2wdn n LEU 94 Ca 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 56.01 53.95 2wdn n LEU 94 Cb 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 43.42 42.93 2wdn n LEU 94 CO 0.05 0.80 0.00 -0.11 0.00 0.00 0.00 177.39 178.13 2wdn n LEU 95 N 1.18 0.00 0.00 -1.96 7.94 0.17 -5.03 117.00 119.30 2wdn n LEU 95 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2wdn n LEU 95 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 2wdn n LEU 95 CO 0.20 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.77