#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n VAL 4 N 0.00 0.00 -4.08 3.15 3.14 -1.26 -4.18 118.33 115.10 2wro n VAL 4 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 2wro n VAL 4 Cb 0.00 -0.28 -0.16 0.00 -1.06 0.00 0.00 33.84 32.34 2wro n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wro h GLU 6 N 7.14 0.26 0.00 0.00 5.08 -1.79 -2.02 114.58 123.25 2wro h GLU 6 Ca -0.40 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2wro h GLU 6 Cb 1.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2wro h GLU 6 CO 0.48 0.80 -0.10 0.97 -1.00 0.00 0.00 179.01 180.15 2wro h ILE 7 N 0.19 0.00 0.17 3.13 6.09 -1.96 -3.42 117.51 121.71 2wro h ILE 7 Ca -0.01 -0.81 -0.26 0.00 -1.37 0.00 0.00 64.86 62.41 2wro h ILE 7 Cb 1.14 0.00 0.02 0.00 0.47 0.00 0.00 36.82 38.45 2wro h ILE 7 CO 0.10 0.00 -1.20 0.77 -3.07 0.00 0.00 178.15 174.75 2wro h SER 8 N -0.81 0.56 0.00 2.19 4.64 -1.91 -3.48 113.55 114.75 2wro h SER 8 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2wro h SER 8 Cb 0.10 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2wro h SER 8 CO 0.00 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.13 2wro n GLY 9 N 1.71 0.89 3.55 -0.77 0.00 -0.76 -5.03 105.19 104.80 2wro n GLY 9 Ca -0.18 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2wro n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 10 N -0.35 2.88 0.53 1.61 1.02 -1.26 -4.59 119.74 119.58 2wro s LYS 10 Ca 0.00 -0.04 0.05 0.00 0.02 0.00 0.00 55.97 56.00 2wro s LYS 10 Cb 0.00 -4.63 0.05 0.00 -0.52 0.00 0.00 37.83 32.73 2wro s LYS 10 CO 0.00 -2.67 0.73 1.03 -0.92 0.00 0.00 175.35 173.52 2wro s ARG 11 N 6.43 2.48 -0.64 1.68 0.52 -1.26 -4.03 118.95 124.13 2wro s ARG 11 Ca 0.57 -1.19 -0.24 0.00 -0.52 0.00 0.00 55.73 54.36 2wro s ARG 11 Cb -0.08 -2.61 0.06 0.00 0.52 0.00 0.00 34.95 32.84 2wro s ARG 11 CO 0.10 -0.68 1.00 -1.25 0.02 0.00 0.00 175.30 174.50 2wro s PRO 12 N -4.64 3.17 -0.19 3.54 0.04 -1.26 -4.64 135.00 131.04 2wro s PRO 12 Ca 0.59 -0.61 -0.26 0.00 0.04 0.00 0.00 61.00 60.75 2wro s PRO 12 Cb -0.09 -4.18 -0.01 0.00 0.04 0.00 0.00 34.50 30.27 2wro s PRO 12 CO 0.37 -1.78 0.87 0.96 0.04 0.00 0.00 177.00 177.46 2wro s ILE 13 N 4.27 4.84 -0.99 0.56 -0.00 -1.12 -4.64 121.20 124.13 2wro s ILE 13 Ca 0.26 1.69 -0.25 0.00 -0.00 0.00 0.00 60.65 62.35 2wro s ILE 13 Cb -0.15 -4.16 -0.21 0.00 -0.00 0.00 0.00 42.46 37.94 2wro s ILE 13 CO 0.13 -0.02 2.08 0.52 -0.00 0.00 0.00 174.94 177.65 2wro n VAL 14 N 4.89 0.00 0.00 8.37 0.31 -1.26 -2.53 118.33 128.11 2wro n VAL 14 Ca 0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2wro n VAL 14 Cb 0.48 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2wro n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro n ALA 15 N 18.87 0.00 -2.97 3.52 0.00 -1.24 -4.92 120.51 133.77 2wro n ALA 15 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wro n ALA 15 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2wro n ALA 15 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wro n ASN 16 N 0.00 0.14 -3.38 0.00 5.15 -1.26 -4.50 115.26 111.41 2wro n ASN 16 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 2wro n ASN 16 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2wro n ASN 16 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2wro s SER 17 N 1.81 -0.11 -0.06 1.20 0.01 -1.09 -4.55 113.70 110.92 2wro s SER 17 Ca 0.00 -0.90 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 2wro s SER 17 Cb 0.00 0.79 0.10 0.00 0.21 0.00 0.00 66.02 67.12 2wro s SER 17 CO 0.00 -1.52 0.83 -0.63 0.41 0.00 0.00 173.24 172.33 2wro s ILE 18 N -3.09 0.00 -0.15 1.44 1.01 -1.26 -4.35 121.20 114.80 2wro s ILE 18 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 2wro s ILE 18 Cb -0.05 -1.00 0.07 0.00 0.01 0.00 0.00 42.46 41.49 2wro s ILE 18 CO 0.09 0.00 0.22 -1.10 0.00 0.00 0.00 174.94 174.15 2wro s GLN 19 N -1.79 0.14 0.02 2.79 -1.52 -1.26 -4.97 119.66 113.07 2wro s GLN 19 Ca -0.03 0.45 -0.01 0.00 -1.95 0.00 0.00 55.36 53.82 2wro s GLN 19 Cb -0.00 -0.63 -0.02 0.00 -0.22 0.00 0.00 33.01 32.14 2wro s GLN 19 CO 0.01 -0.46 -0.01 -0.98 -0.25 0.00 0.00 175.29 173.60 2wro s ARG 20 N 2.34 0.35 -0.32 2.91 1.70 -1.26 0.11 118.95 124.78 2wro s ARG 20 Ca 0.04 -0.62 -0.02 0.00 -0.47 0.00 0.00 55.73 54.67 2wro s ARG 20 Cb -0.14 0.13 0.12 0.00 -0.57 0.00 0.00 34.95 34.49 2wro s ARG 20 CO -0.09 -0.06 0.17 -0.98 -1.08 0.00 0.00 175.30 173.25 2wro s ARG 21 N -1.60 0.39 0.21 3.89 1.70 -1.24 -5.03 118.95 117.27 2wro s ARG 21 Ca -0.14 -0.95 -0.23 0.00 -0.47 0.00 0.00 55.73 53.94 2wro s ARG 21 Cb -0.09 -1.27 0.05 0.00 -0.57 0.00 0.00 34.95 33.07 2wro s ARG 21 CO -0.01 -1.11 0.74 0.20 -1.08 0.00 0.00 175.30 174.03 2wro s GLY 22 N 1.57 -0.28 -0.10 3.88 0.00 -1.26 -4.68 107.32 106.45 2wro s GLY 22 Ca 0.13 0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 2wro s GLY 22 CO -0.18 0.02 0.97 0.54 0.00 0.00 0.00 173.10 174.45 2wro s LYS 23 N -3.72 4.43 0.35 2.90 1.02 -1.20 -4.92 119.74 118.59 2wro s LYS 23 Ca 0.08 1.33 -0.28 0.00 0.02 0.00 0.00 55.97 57.12 2wro s LYS 23 Cb -0.04 -3.53 -0.11 0.00 -0.52 0.00 0.00 37.83 33.64 2wro s LYS 23 CO -0.00 -0.27 1.39 0.00 -0.92 0.00 0.00 175.35 175.55 2wro s ALA 24 N 1.84 3.54 0.58 5.17 0.00 -1.26 -3.49 121.76 128.14 2wro s ALA 24 Ca 0.47 1.40 0.31 0.00 0.00 0.00 0.00 51.96 54.14 2wro s ALA 24 Cb -0.18 -3.54 1.40 0.00 0.00 0.00 0.00 23.12 20.80 2wro s ALA 24 CO 0.19 -0.82 1.76 -0.22 0.00 0.00 0.00 175.76 176.66 2wro h LYS 25 N 3.28 0.00 0.00 0.00 3.64 -1.84 -1.61 116.57 120.05 2wro h LYS 25 Ca -0.50 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2wro h LYS 25 Cb 1.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2wro h LYS 25 CO 0.65 0.00 -0.02 0.07 -2.27 0.00 0.00 179.45 177.89 2wro h ARG 26 N 0.00 0.00 0.00 1.90 0.11 -1.93 -3.41 114.38 111.05 2wro h ARG 26 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 2wro h ARG 26 Cb 1.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.93 2wro h ARG 26 CO -0.00 0.21 0.00 0.39 0.10 0.00 0.00 179.97 180.66 2wro n GLU 27 N -4.74 0.00 0.32 0.08 4.71 -0.65 -4.68 120.64 115.68 2wro n GLU 27 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.00 2wro n GLU 27 Cb 0.10 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.47 2wro n GLU 27 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2wro h GLY 28 N 0.00 -0.90 0.00 0.62 0.00 -1.89 -3.47 103.07 97.43 2wro h GLY 28 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2wro h GLY 28 CO 0.00 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.83 2wro n GLY 29 N -1.41 1.13 3.88 4.60 0.00 -0.93 -4.94 105.19 107.51 2wro n GLY 29 Ca -0.10 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 2wro n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wro n VAL 30 N 0.00 -1.22 -0.51 1.61 0.24 -1.26 -3.61 118.33 113.58 2wro n VAL 30 Ca 0.00 -0.38 0.03 0.00 -2.04 0.00 0.00 64.34 61.95 2wro n VAL 30 Cb 0.00 -1.09 -0.01 0.00 -1.47 0.00 0.00 33.84 31.27 2wro n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wro n GLY 31 N -1.96 -0.39 2.89 7.63 0.00 -1.26 -4.55 105.19 107.55 2wro n GLY 31 Ca -0.16 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2wro n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 32 N -2.37 1.43 0.05 1.61 1.02 -1.23 -3.24 119.74 117.02 2wro s LYS 32 Ca 0.00 -0.48 -0.05 0.00 0.02 0.00 0.00 55.97 55.46 2wro s LYS 32 Cb 0.00 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 2wro s LYS 32 CO 0.00 -0.41 0.29 -1.59 -0.92 0.00 0.00 175.35 172.72 2wro s LYS 33 N 1.65 3.58 0.47 1.68 0.00 -1.26 -5.03 119.74 120.82 2wro s LYS 33 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 55.97 55.87 2wro s LYS 33 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 37.83 34.67 2wro s LYS 33 CO -0.08 0.59 0.69 0.99 0.00 0.00 0.00 175.35 177.54 2wro s THR 34 N -1.42 3.74 -0.23 3.79 2.01 -1.26 -3.62 115.64 118.65 2wro s THR 34 Ca 0.32 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.89 2wro s THR 34 Cb -0.13 -3.38 0.31 0.00 0.01 0.00 0.00 72.50 69.31 2wro s THR 34 CO 0.20 -0.27 1.35 1.07 -0.69 0.00 0.00 174.62 176.29 2wro n THR 35 N -2.12 0.11 0.00 -0.82 5.66 0.30 -4.93 114.28 112.47 2wro n THR 35 Ca 0.03 -0.89 0.00 0.00 -3.05 0.00 0.00 64.05 60.14 2wro n THR 35 Cb 0.58 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 70.25 2wro n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wro n GLY 36 N -0.98 -1.09 3.57 1.09 0.00 -1.25 -4.76 105.19 101.77 2wro n GLY 36 Ca -0.18 0.44 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2wro n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wro s ILE 37 N 0.00 3.51 0.08 -0.61 1.09 -1.26 -4.04 121.20 119.98 2wro s ILE 37 Ca 0.00 -0.74 -0.30 0.00 -1.10 0.00 0.00 60.65 58.50 2wro s ILE 37 Cb 0.00 -4.39 -0.06 0.00 -1.06 0.00 0.00 42.46 36.96 2wro s ILE 37 CO 0.00 -0.98 1.09 -0.94 -0.10 0.00 0.00 174.94 174.01 2wro s SER 38 N 6.99 7.25 -0.23 3.58 1.04 -1.26 -4.91 113.70 126.16 2wro s SER 38 Ca 0.69 1.93 -0.17 0.00 0.48 0.00 0.00 55.95 58.88 2wro s SER 38 Cb -0.03 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 2wro s SER 38 CO 0.09 -0.30 0.44 -0.75 0.98 0.00 0.00 173.24 173.70 2wro s LYS 39 N 0.53 4.13 0.00 4.02 2.47 -1.26 -2.65 119.74 126.97 2wro s LYS 39 Ca 0.53 0.24 0.00 0.00 -1.56 0.00 0.00 55.97 55.18 2wro s LYS 39 Cb -0.27 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 2wro s LYS 39 CO 0.31 -0.17 0.00 2.89 0.16 0.00 0.00 175.35 178.53 2wro n ARG 40 N 4.92 0.31 -4.09 4.03 1.85 -1.26 -5.04 116.66 117.38 2wro n ARG 40 Ca -0.07 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.53 2wro n ARG 40 Cb 0.51 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.75 2wro n ARG 40 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2wro s ARG 41 N -0.84 1.46 -0.27 2.89 1.81 -1.26 -3.59 118.95 119.15 2wro s ARG 41 Ca 0.00 -0.26 -0.25 0.00 -1.72 0.00 0.00 55.73 53.50 2wro s ARG 41 Cb 0.00 -1.45 -0.00 0.00 -0.45 0.00 0.00 34.95 33.05 2wro s ARG 41 CO 0.00 -0.18 0.84 -0.65 -0.68 0.00 0.00 175.30 174.63 2wro s GLN 42 N 1.40 4.10 -0.11 3.54 -1.52 -1.05 -4.94 119.66 121.08 2wro s GLN 42 Ca -0.01 0.84 -0.11 0.00 -1.95 0.00 0.00 55.36 54.12 2wro s GLN 42 Cb -0.13 -3.68 -0.05 0.00 -0.22 0.00 0.00 33.01 28.93 2wro s GLN 42 CO -0.04 -0.61 0.26 0.71 -0.25 0.00 0.00 175.29 175.35 2wro s TYR 43 N 2.96 3.57 -0.22 0.91 4.12 -1.26 -2.78 117.35 124.65 2wro s TYR 43 Ca 0.35 0.65 -0.28 0.00 0.02 0.00 0.00 57.07 57.81 2wro s TYR 43 Cb -0.15 -2.17 0.01 0.00 -1.52 0.00 0.00 41.96 38.13 2wro s TYR 43 CO 0.10 0.52 1.01 -1.25 0.02 0.00 0.00 175.55 175.95 2wro s PRO 44 N -0.45 4.26 -0.04 -1.71 0.04 -1.26 -4.89 135.00 130.95 2wro s PRO 44 Ca 0.17 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 2wro s PRO 44 Cb -0.13 -3.63 -0.22 0.00 0.04 0.00 0.00 34.50 30.56 2wro s PRO 44 CO 0.06 -0.59 1.17 -1.71 0.04 0.00 0.00 177.00 175.97 2wro n ASN 45 N 6.17 0.16 -4.75 6.66 4.05 -1.26 -4.83 115.26 121.45 2wro n ASN 45 Ca 0.11 -1.69 -0.40 0.00 0.45 0.00 0.00 54.58 53.05 2wro n ASN 45 Cb 0.46 -0.35 -0.06 0.00 1.23 0.00 0.00 39.78 41.07 2wro n ASN 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2wro s LEU 46 N 0.59 4.60 0.00 1.20 2.01 -1.26 -1.40 118.68 124.42 2wro s LEU 46 Ca 0.41 1.83 0.00 0.00 0.01 0.00 0.00 54.13 56.38 2wro s LEU 46 Cb 0.08 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.76 2wro s LEU 46 CO 0.20 0.12 0.00 0.00 1.01 0.00 0.00 176.35 177.68 2wro n GLN 47 N 1.83 1.63 -3.73 1.70 1.13 -1.19 -4.94 117.38 113.81 2wro n GLN 47 Ca -0.02 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.75 2wro n GLN 47 Cb 0.48 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.67 2wro n GLN 47 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wro s LYS 48 N -1.21 0.71 -0.09 -1.09 2.47 -1.26 -3.83 119.74 115.45 2wro s LYS 48 Ca 0.00 -0.78 0.02 0.00 -1.56 0.00 0.00 55.97 53.65 2wro s LYS 48 Cb 0.00 -2.01 -0.02 0.00 -1.46 0.00 0.00 37.83 34.34 2wro s LYS 48 CO 0.00 -0.83 -0.12 0.54 0.16 0.00 0.00 175.35 175.09 2wro s VAL 49 N 1.73 3.17 -0.11 4.02 0.11 -1.24 -5.03 120.40 123.05 2wro s VAL 49 Ca 0.05 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2wro s VAL 49 Cb -0.17 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 2wro s VAL 49 CO -0.18 0.56 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.95 2wro s ARG 50 N -0.28 3.22 -0.08 1.54 0.52 -1.26 -2.51 118.95 120.10 2wro s ARG 50 Ca 0.02 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 2wro s ARG 50 Cb -0.13 -2.73 0.05 0.00 0.52 0.00 0.00 34.95 32.66 2wro s ARG 50 CO 0.03 0.43 0.16 0.14 0.02 0.00 0.00 175.30 176.07 2wro s VAL 51 N -0.17 -0.22 0.00 3.52 -7.23 -0.67 -4.96 120.40 110.67 2wro s VAL 51 Ca 0.02 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2wro s VAL 51 Cb -0.13 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.53 2wro s VAL 51 CO 0.03 0.13 0.00 0.54 -0.31 0.00 0.00 175.10 175.49 2wro n ARG 52 N 5.09 0.00 -2.06 4.82 5.12 -1.26 -2.28 116.66 126.09 2wro n ARG 52 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2wro n ARG 52 Cb 0.50 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 2wro n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wro n VAL 53 N 0.00-10.99 0.00 1.55 0.31 -1.26 -2.89 118.33 105.04 2wro n VAL 53 Ca 0.00 3.24 0.00 0.00 -0.01 0.00 0.00 64.34 67.57 2wro n VAL 53 Cb 0.00 -4.85 0.00 0.00 -0.91 0.00 0.00 33.84 28.08 2wro n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wro n ALA 54 N 1.47 0.00 0.00 3.52 0.00 -1.26 -1.74 120.51 122.50 2wro n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wro n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wro n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wro n GLY 55 N 0.00 0.37 2.38 0.00 0.00 -1.26 -5.00 105.19 101.68 2wro n GLY 55 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wro n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wro n GLN 56 N 0.00 3.78 -0.06 1.61 1.13 -0.71 -4.94 117.38 118.19 2wro n GLN 56 Ca 0.00 -2.46 -0.02 0.00 -1.94 0.00 0.00 57.00 52.58 2wro n GLN 56 Cb 0.00 -2.81 -0.00 0.00 0.11 0.00 0.00 30.24 27.54 2wro n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2wro n GLU 57 N 3.48 0.00 -4.58 -1.09 2.13 -1.14 -4.83 120.64 114.61 2wro n GLU 57 Ca 0.74 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.29 2wro n GLU 57 Cb 0.25 -0.05 -0.10 0.00 0.27 0.00 0.00 31.44 31.82 2wro n GLU 57 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2wro s ILE 58 N -0.05 1.32 -0.30 6.31 2.07 -0.96 -4.95 121.20 124.63 2wro s ILE 58 Ca 0.03 -2.00 0.05 0.00 -1.41 0.00 0.00 60.65 57.31 2wro s ILE 58 Cb -0.04 -2.64 0.18 0.00 0.13 0.00 0.00 42.46 40.09 2wro s ILE 58 CO 0.03 0.00 0.51 0.42 -1.91 0.00 0.00 174.94 173.99 2wro s THR 59 N -3.02 -0.83 0.24 4.00 -4.23 -1.26 -1.67 115.64 108.87 2wro s THR 59 Ca 0.27 -0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2wro s THR 59 Cb 0.06 -0.91 0.05 0.00 1.34 0.00 0.00 72.50 73.05 2wro s THR 59 CO 0.13 -0.13 0.33 0.49 -0.54 0.00 0.00 174.62 174.90 2wro n PHE 60 N 5.28 -3.24 -3.94 3.99 0.99 -1.04 -4.96 117.46 114.54 2wro n PHE 60 Ca 0.04 -0.58 -0.30 0.00 -0.00 0.00 0.00 57.45 56.60 2wro n PHE 60 Cb 0.52 -0.24 -0.16 0.00 -1.00 0.00 0.00 39.48 38.60 2wro n PHE 60 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2wro s ARG 61 N -3.30 1.60 -0.01 -1.08 1.81 -1.26 -3.65 118.95 113.06 2wro s ARG 61 Ca 0.22 -1.02 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2wro s ARG 61 Cb -0.01 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.88 2wro s ARG 61 CO 0.15 -0.62 -0.15 0.54 -0.68 0.00 0.00 175.30 174.54 2wro s VAL 62 N 1.39 1.18 0.84 3.52 0.11 -1.25 -1.92 120.40 124.27 2wro s VAL 62 Ca -0.05 -0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 58.20 2wro s VAL 62 Cb -0.19 -0.99 -0.13 0.00 -1.53 0.00 0.00 36.38 33.54 2wro s VAL 62 CO -0.07 0.34 -0.48 0.00 -3.33 0.00 0.00 175.10 171.56 2wro n ALA 63 N 2.76 -4.45 -0.50 1.54 0.00 -1.26 -3.16 120.51 115.44 2wro n ALA 63 Ca -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2wro n ALA 63 Cb 0.55 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2wro n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n ALA 64 N -2.26 -0.08 -0.77 0.00 0.00 -0.49 -2.56 120.51 114.35 2wro n ALA 64 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 2wro n ALA 64 Cb 0.53 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 2wro n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wro n SER 65 N -1.76 5.69 0.00 0.00 3.41 -1.26 -3.26 113.62 116.44 2wro n SER 65 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2wro n SER 65 Cb 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 2wro n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wro n HIS 66 N 1.37 0.00 -0.29 7.33 -0.00 -1.06 -4.86 115.22 117.70 2wro n HIS 66 Ca 0.19 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 58.01 2wro n HIS 66 Cb 0.60 0.00 0.25 0.00 -0.00 0.00 0.00 29.99 30.84 2wro n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wro h ILE 67 N 0.04 0.60 -0.86 1.59 2.04 -1.52 -1.14 117.51 118.26 2wro h ILE 67 Ca 0.00 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 65.84 2wro h ILE 67 Cb 0.02 0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 36.03 2wro h ILE 67 CO 0.00 0.09 -0.35 1.55 0.00 0.00 0.00 178.15 179.44 2wro h PRO 68 N 0.48 -0.05 -1.24 2.37 0.13 -1.89 0.19 132.00 132.00 2wro h PRO 68 Ca 0.49 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.99 2wro h PRO 68 Cb 0.83 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 2wro h PRO 68 CO -0.45 -0.03 0.83 -0.22 -0.23 0.00 0.00 178.00 177.90 2wro h LYS 69 N -0.05 0.17 -0.24 0.86 1.63 -1.58 -2.27 116.57 115.09 2wro h LYS 69 Ca 0.33 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.17 2wro h LYS 69 Cb 0.59 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.11 2wro h LYS 69 CO -0.89 0.11 -0.42 0.28 -3.45 0.00 0.00 179.45 175.08 2wro h VAL 70 N 0.17 0.13 -0.31 2.00 2.07 -0.70 0.38 116.25 119.99 2wro h VAL 70 Ca 0.69 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.30 2wro h VAL 70 Cb 2.21 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2wro h VAL 70 CO -0.25 0.00 0.25 1.88 0.02 0.00 0.00 177.57 179.47 2wro h TYR 71 N -0.42 0.00 0.00 1.57 -1.99 -1.54 -2.47 116.97 112.11 2wro h TYR 71 Ca 0.10 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.23 2wro h TYR 71 Cb 0.61 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.36 2wro h TYR 71 CO -0.54 0.00 3.48 -1.91 -0.00 0.00 0.00 178.16 179.18 2wro n GLU 72 N -4.19 3.36 -0.02 4.88 2.13 0.13 0.26 120.64 127.20 2wro n GLU 72 Ca 0.05 -2.02 0.00 0.00 0.66 0.00 0.00 57.16 55.85 2wro n GLU 72 Cb 0.42 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.42 2wro n GLU 72 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2wro n LEU 73 N 3.64 0.00 0.00 4.31 4.77 -0.93 -4.80 117.00 123.99 2wro n LEU 73 Ca 0.72 -0.10 -0.00 0.00 -0.03 0.00 0.00 56.01 56.59 2wro n LEU 73 Cb 0.24 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2wro n LEU 73 CO 0.80 0.35 -0.02 0.52 -1.33 0.00 0.00 177.39 177.72 2wro n VAL 74 N 0.00 0.18 0.02 4.08 0.31 0.74 -4.11 118.33 119.55 2wro n VAL 74 Ca 0.00 0.13 0.22 0.00 -0.01 0.00 0.00 64.34 64.67 2wro n VAL 74 Cb 0.08 -1.18 0.73 0.00 -0.91 0.00 0.00 33.84 32.57 2wro n VAL 74 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wro h GLU 75 N -0.02 0.00 -0.29 5.55 4.57 -1.71 0.14 114.58 122.82 2wro h GLU 75 Ca 0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 2wro h GLU 75 Cb 0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.51 2wro h GLU 75 CO 0.00 0.00 -0.27 0.54 -1.18 0.00 0.00 179.01 178.10 2wro n ARG 76 N -3.99 1.94 0.00 1.92 1.74 -1.26 -4.58 116.66 112.43 2wro n ARG 76 Ca 0.10 -3.33 0.00 0.00 -0.77 0.00 0.00 57.85 53.85 2wro n ARG 76 Cb 0.68 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2wro n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wro n ALA 77 N -1.08 1.31 0.24 7.54 0.00 0.49 -4.57 120.51 124.44 2wro n ALA 77 Ca 0.30 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.88 2wro n ALA 77 Cb 0.91 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.78 2wro n ALA 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wro h LYS 78 N 0.00 0.00 -1.90 0.00 2.10 -1.78 -3.20 116.57 111.80 2wro h LYS 78 Ca 0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.18 2wro h LYS 78 Cb 0.00 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.16 2wro h LYS 78 CO 0.00 0.07 0.41 0.41 -2.00 0.00 0.00 179.45 178.34 2wro n GLY 79 N 0.51 4.34 3.44 0.07 0.00 -1.26 -4.82 105.19 107.47 2wro n GLY 79 Ca 0.02 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 2wro n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wro s LEU 80 N -2.16 -0.20 -0.45 0.99 0.20 -1.21 -5.08 118.68 110.76 2wro s LEU 80 Ca 0.54 0.63 -0.29 0.00 0.69 0.00 0.00 54.13 55.70 2wro s LEU 80 Cb 0.36 2.13 -0.09 0.00 -0.43 0.00 0.00 46.19 48.16 2wro s LEU 80 CO -0.18 -0.50 2.35 1.17 -0.29 0.00 0.00 176.35 178.89 2wro n LYS 81 N 1.30 1.14 -4.43 1.98 3.00 -1.26 -4.88 118.16 115.01 2wro n LYS 81 Ca -0.19 0.20 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 2wro n LYS 81 Cb 0.57 -2.92 -0.16 0.00 0.00 0.00 0.00 35.03 32.52 2wro n LYS 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wro s LEU 82 N 9.69 1.72 0.00 3.14 1.02 -1.26 -4.93 118.68 128.06 2wro s LEU 82 Ca 1.06 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 55.00 2wro s LEU 82 Cb -0.52 -0.62 0.00 0.00 0.02 0.00 0.00 46.19 45.08 2wro s LEU 82 CO 0.37 0.05 0.00 -0.62 0.02 0.00 0.00 176.35 176.17 2wro n GLU 83 N 3.45 0.00 0.00 1.70 4.71 -1.26 -5.05 120.64 124.19 2wro n GLU 83 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.95 2wro n GLU 83 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 2wro n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wro n GLY 84 N -1.43 0.00 1.17 0.62 0.00 -1.26 -4.68 105.19 99.61 2wro n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wro n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wro n LEU 85 N 0.59 3.21 -2.83 0.99 4.77 -1.26 -3.88 117.00 118.60 2wro n LEU 85 Ca 0.00 -1.54 -0.26 0.00 -0.03 0.00 0.00 56.01 54.18 2wro n LEU 85 Cb 0.00 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 2wro n LEU 85 CO 0.00 0.57 0.13 -1.54 -1.33 0.00 0.00 177.39 175.22 2wro n SER 86 N 0.87 4.28 -0.24 -1.43 3.41 -1.26 -4.89 113.62 114.36 2wro n SER 86 Ca 0.00 -3.64 0.32 0.00 -0.26 0.00 0.00 58.87 55.29 2wro n SER 86 Cb 0.43 -0.54 0.67 0.00 -0.26 0.00 0.00 64.21 64.52 2wro n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wro h PRO 87 N 2.88 0.00 -0.74 4.33 0.13 -1.92 2.14 132.00 138.82 2wro h PRO 87 Ca 0.17 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.45 2wro h PRO 87 Cb 0.65 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 2wro h PRO 87 CO 0.80 0.00 0.50 -0.22 -0.23 0.00 0.00 178.00 178.85 2wro h LYS 88 N 0.00 0.35 0.18 0.86 3.11 -1.93 0.82 116.57 119.96 2wro h LYS 88 Ca 0.50 -0.02 -0.33 0.00 -2.81 0.00 0.00 60.65 57.99 2wro h LYS 88 Cb 2.36 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 33.52 2wro h LYS 88 CO -0.01 0.23 -1.56 0.93 -2.81 0.00 0.00 179.45 176.24 2wro h GLU 89 N 0.36 0.39 -0.56 1.90 5.08 0.31 -3.35 114.58 118.71 2wro h GLU 89 Ca 0.36 -0.66 0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2wro h GLU 89 Cb 0.90 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 2wro h GLU 89 CO -0.11 1.29 -0.52 0.82 -1.00 0.00 0.00 179.01 179.49 2wro h ILE 90 N 0.11 0.03 0.00 3.13 1.08 -0.34 -2.72 117.51 118.80 2wro h ILE 90 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2wro h ILE 90 Cb 2.09 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 2wro h ILE 90 CO 0.21 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.84 2wro n LYS 91 N -5.37 0.00 0.00 2.37 4.81 -0.72 -0.30 118.16 118.96 2wro n LYS 91 Ca -0.01 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2wro n LYS 91 Cb 0.33 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.07 2wro n LYS 91 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2wro n LYS 92 N -0.11 0.00 -0.83 1.64 -0.00 -1.22 -2.64 118.16 115.00 2wro n LYS 92 Ca 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 58.31 58.34 2wro n LYS 92 Cb 0.00 -1.50 0.25 0.00 -0.00 0.00 0.00 35.03 33.78 2wro n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wro n GLU 93 N -1.07 3.28 -4.29 -1.58 -0.58 0.59 -4.57 120.64 112.42 2wro n GLU 93 Ca 0.00 -2.49 -0.34 0.00 -0.42 0.00 0.00 57.16 53.91 2wro n GLU 93 Cb 0.00 -2.05 -0.12 0.00 -0.57 0.00 0.00 31.44 28.70 2wro n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2wro s LEU 94 N -2.39 3.20 -0.52 -4.62 1.02 -1.08 -4.60 118.68 109.69 2wro s LEU 94 Ca 0.45 -0.18 -0.09 0.00 0.02 0.00 0.00 54.13 54.33 2wro s LEU 94 Cb 0.36 -1.78 0.01 0.00 0.02 0.00 0.00 46.19 44.79 2wro s LEU 94 CO 0.11 0.13 0.16 -0.11 0.02 0.00 0.00 176.35 176.66 2wro n LEU 95 N 3.82 -0.16 0.00 1.79 7.94 -1.26 -5.14 117.00 123.99 2wro n LEU 95 Ca -0.17 -0.51 0.00 0.00 -1.11 0.00 0.00 56.01 54.22 2wro n LEU 95 Cb 0.52 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2wro n LEU 95 CO 0.32 0.27 0.00 0.29 -1.11 0.00 0.00 177.39 177.16