#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s VAL 4 N 0.00 4.28 -0.08 3.15 0.11 -1.26 -4.32 120.40 122.28 3kno s VAL 4 Ca 0.00 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 3kno s VAL 4 Cb 0.00 -2.81 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 3kno s VAL 4 CO 0.00 0.59 1.66 0.00 -3.33 0.00 0.00 175.10 174.03 3kno h GLU 6 N 9.81 0.07 0.00 0.00 5.08 -1.50 0.12 114.58 128.16 3kno h GLU 6 Ca -0.39 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3kno h GLU 6 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kno h GLU 6 CO 0.96 0.05 -0.12 -0.89 -1.00 0.00 0.00 179.01 178.01 3kno n ILE 7 N -4.29 0.20 0.26 3.13 -0.00 -1.26 -4.65 119.36 112.75 3kno n ILE 7 Ca 0.23 0.40 0.16 0.00 -0.00 0.00 0.00 62.75 63.53 3kno n ILE 7 Cb 1.07 -1.54 0.79 0.00 -0.00 0.00 0.00 39.64 39.96 3kno n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3kno h SER 8 N -0.12 0.00 -3.71 4.38 4.64 -1.97 -3.46 113.55 113.32 3kno h SER 8 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 3kno h SER 8 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3kno h SER 8 CO 0.00 0.00 -0.51 0.61 -0.87 0.00 0.00 176.83 176.06 3kno n GLY 9 N -0.95 -0.51 3.89 -0.77 0.00 0.43 -4.97 105.19 102.33 3kno n GLY 9 Ca -0.01 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3kno n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 10 N -5.28 3.05 -0.04 1.61 1.02 -1.26 -4.77 119.74 114.07 3kno s LYS 10 Ca 0.10 0.40 -0.29 0.00 0.02 0.00 0.00 55.97 56.20 3kno s LYS 10 Cb -0.05 -2.11 0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3kno s LYS 10 CO 0.13 -0.83 0.82 -0.98 -0.92 0.00 0.00 175.35 173.57 3kno s ARG 11 N -5.21 0.89 0.04 1.68 1.70 -1.26 -1.65 118.95 115.14 3kno s ARG 11 Ca 0.56 -0.05 -0.38 0.00 -0.47 0.00 0.00 55.73 55.39 3kno s ARG 11 Cb -0.11 0.42 -0.19 0.00 -0.57 0.00 0.00 34.95 34.50 3kno s ARG 11 CO 0.50 -0.33 1.05 -0.35 -1.08 0.00 0.00 175.30 175.09 3kno n PRO 12 N 0.33 0.21 -5.27 3.89 -0.04 -1.25 -4.76 135.00 128.10 3kno n PRO 12 Ca -0.13 0.08 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 3kno n PRO 12 Cb 0.60 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 3kno n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3kno s ILE 13 N -0.07 2.09 0.52 0.52 -4.36 -0.31 -4.90 121.20 114.69 3kno s ILE 13 Ca 0.86 -1.07 -0.20 0.00 -0.26 0.00 0.00 60.65 59.98 3kno s ILE 13 Cb -1.17 -1.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.74 3kno s ILE 13 CO 0.55 0.57 1.10 -0.69 0.24 0.00 0.00 174.94 176.71 3kno s VAL 14 N -0.36 3.39 0.23 8.37 1.01 -1.26 -0.53 120.40 131.26 3kno s VAL 14 Ca 0.02 0.87 -0.19 0.00 0.00 0.00 0.00 61.98 62.68 3kno s VAL 14 Cb -0.12 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.94 3kno s VAL 14 CO 0.02 -0.19 0.61 0.00 0.00 0.00 0.00 175.10 175.55 3kno s ALA 15 N -1.85 -1.07 0.45 5.51 0.00 0.15 -4.85 121.76 120.11 3kno s ALA 15 Ca 0.71 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.50 3kno s ALA 15 Cb -0.21 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.81 3kno s ALA 15 CO 0.24 -0.91 0.62 -0.80 0.00 0.00 0.00 175.76 174.91 3kno s ASN 16 N -2.89 5.55 -0.39 0.00 0.01 -1.26 0.21 114.94 116.17 3kno s ASN 16 Ca 0.10 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 3kno s ASN 16 Cb -0.03 -0.66 0.12 0.00 0.41 0.00 0.00 41.25 41.10 3kno s ASN 16 CO 0.01 -0.86 0.19 -0.55 -1.51 0.00 0.00 177.10 174.38 3kno s SER 17 N -4.38 3.70 -0.30 -1.22 0.15 0.10 -4.70 113.70 107.05 3kno s SER 17 Ca 0.56 -2.26 -0.23 0.00 0.70 0.00 0.00 55.95 54.71 3kno s SER 17 Cb -0.10 -0.91 -0.00 0.00 -1.71 0.00 0.00 66.02 63.30 3kno s SER 17 CO 0.34 -0.32 0.78 -0.63 1.20 0.00 0.00 173.24 174.62 3kno s ILE 18 N 0.84 4.81 -0.71 6.45 1.09 -1.26 -2.56 121.20 129.86 3kno s ILE 18 Ca 0.15 1.22 -0.20 0.00 -1.10 0.00 0.00 60.65 60.72 3kno s ILE 18 Cb -0.22 -4.13 0.11 0.00 -1.06 0.00 0.00 42.46 37.16 3kno s ILE 18 CO -0.07 -0.22 0.89 -1.10 -0.10 0.00 0.00 174.94 174.34 3kno s GLN 19 N 2.92 3.23 0.15 2.79 -1.52 0.18 -5.02 119.66 122.39 3kno s GLN 19 Ca 0.32 -1.35 -0.05 0.00 -1.95 0.00 0.00 55.36 52.33 3kno s GLN 19 Cb -0.14 -4.42 -0.06 0.00 -0.22 0.00 0.00 33.01 28.17 3kno s GLN 19 CO 0.12 -1.67 0.39 1.03 -0.25 0.00 0.00 175.29 174.91 3kno s ARG 20 N 2.95 3.64 0.00 2.91 0.52 -1.26 0.17 118.95 127.87 3kno s ARG 20 Ca 0.20 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 3kno s ARG 20 Cb -0.16 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.47 3kno s ARG 20 CO 0.03 0.45 0.00 0.54 0.02 0.00 0.00 175.30 176.34 3kno n ARG 21 N 0.08 1.04 -1.23 3.54 1.74 -0.09 -4.86 116.66 116.87 3kno n ARG 21 Ca -0.02 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.21 3kno n ARG 21 Cb 0.52 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 3kno n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 22 N 1.30 -1.96 3.81 -0.13 0.00 -1.26 -3.52 105.19 103.44 3kno n GLY 22 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 3kno n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kno s LYS 23 N -3.02 3.90 0.37 1.61 2.20 -1.23 -4.83 119.74 118.73 3kno s LYS 23 Ca 0.00 0.18 -0.25 0.00 -0.36 0.00 0.00 55.97 55.55 3kno s LYS 23 Cb 0.00 -3.27 -0.13 0.00 -1.51 0.00 0.00 37.83 32.92 3kno s LYS 23 CO 0.00 0.58 0.82 0.00 -0.36 0.00 0.00 175.35 176.39 3kno n ALA 24 N 2.39 -0.68 0.33 3.13 0.00 -1.26 -3.27 120.51 121.15 3kno n ALA 24 Ca -0.15 0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.68 3kno n ALA 24 Cb 0.53 -1.93 0.15 0.00 0.00 0.00 0.00 19.45 18.19 3kno n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kno h LYS 25 N 1.37 0.00 -0.01 0.00 3.64 -1.87 -2.30 116.57 117.41 3kno h LYS 25 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3kno h LYS 25 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3kno h LYS 25 CO 0.56 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.63 3kno n ARG 26 N -2.59 1.08 0.00 1.90 1.85 -1.26 -4.11 116.66 113.52 3kno n ARG 26 Ca 0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 3kno n ARG 26 Cb 0.50 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 3kno n ARG 26 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3kno n GLU 27 N -0.82 2.21 -0.02 2.89 1.02 -1.17 -4.96 120.64 119.79 3kno n GLU 27 Ca 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 3kno n GLU 27 Cb 0.13 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.57 3kno n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kno n GLY 28 N 2.83 -0.07 0.00 0.62 0.00 -1.25 -4.85 105.19 102.48 3kno n GLY 28 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kno n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 29 N -1.02 0.19 4.90 -0.02 0.00 -0.87 -5.02 105.19 103.35 3kno n GLY 29 Ca 0.02 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.86 3kno n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kno n VAL 30 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.29 118.33 114.63 3kno n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kno n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kno n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kno n GLY 31 N 0.00 2.82 3.89 7.63 0.00 -1.20 -5.01 105.19 113.32 3kno n GLY 31 Ca 0.00 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 3kno n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kno s LYS 32 N -3.05 3.48 -0.09 1.61 1.02 -1.25 -3.58 119.74 117.88 3kno s LYS 32 Ca 0.00 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.84 3kno s LYS 32 Cb 0.00 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 3kno s LYS 32 CO 0.00 0.70 -0.23 0.15 -0.92 0.00 0.00 175.35 175.06 3kno s LYS 33 N -1.58 2.88 -0.31 1.68 -0.14 -1.23 -4.97 119.74 116.07 3kno s LYS 33 Ca 0.23 -0.86 -0.25 0.00 -1.36 0.00 0.00 55.97 53.73 3kno s LYS 33 Cb -0.13 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 3kno s LYS 33 CO 0.13 0.28 0.85 0.99 -0.76 0.00 0.00 175.35 176.85 3kno s THR 34 N 0.10 4.73 0.00 2.17 2.01 -1.26 -0.92 115.64 122.48 3kno s THR 34 Ca -0.11 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.22 3kno s THR 34 Cb -0.16 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.15 3kno s THR 34 CO 0.06 -0.29 0.58 0.41 -0.69 0.00 0.00 174.62 174.69 3kno n THR 35 N 5.59 0.00 -4.03 -0.82 -1.04 0.45 -4.94 114.28 109.49 3kno n THR 35 Ca 0.06 1.02 -0.08 0.00 -2.04 0.00 0.00 64.05 63.01 3kno n THR 35 Cb 0.48 -1.91 -0.10 0.00 -1.82 0.00 0.00 70.33 66.98 3kno n THR 35 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3kno s GLY 36 N -0.66 0.35 -0.00 3.41 0.00 -1.22 -5.00 107.32 104.19 3kno s GLY 36 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.89 3kno s GLY 36 CO 0.00 -0.99 -0.22 -0.42 0.00 0.00 0.00 173.10 171.47 3kno s ILE 37 N -2.82 1.71 -0.07 0.90 1.01 -1.26 -0.65 121.20 120.02 3kno s ILE 37 Ca -0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 3kno s ILE 37 Cb -0.00 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.06 3kno s ILE 37 CO -0.06 0.43 0.23 -0.44 0.00 0.00 0.00 174.94 175.11 3kno s SER 38 N -0.64 -0.20 -0.46 3.58 0.01 -1.06 -4.97 113.70 109.96 3kno s SER 38 Ca 0.08 0.33 -0.27 0.00 1.31 0.00 0.00 55.95 57.40 3kno s SER 38 Cb -0.08 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.60 3kno s SER 38 CO -0.00 -0.17 1.04 -0.54 0.41 0.00 0.00 173.24 173.98 3kno s LYS 39 N -0.29 3.67 0.29 12.44 1.02 -1.26 0.02 119.74 135.63 3kno s LYS 39 Ca -0.04 0.43 0.10 0.00 0.02 0.00 0.00 55.97 56.48 3kno s LYS 39 Cb -0.03 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 3kno s LYS 39 CO 0.01 -1.27 -0.00 -0.98 -0.92 0.00 0.00 175.35 172.18 3kno s ARG 40 N 4.09 2.21 0.05 1.68 1.04 0.13 -4.91 118.95 123.26 3kno s ARG 40 Ca 0.43 -1.51 0.06 0.00 -1.04 0.00 0.00 55.73 53.67 3kno s ARG 40 Cb -0.09 -2.09 -0.04 0.00 -2.04 0.00 0.00 34.95 30.70 3kno s ARG 40 CO 0.28 0.30 -0.12 -0.98 -0.04 0.00 0.00 175.30 174.74 3kno s ARG 41 N -3.69 2.21 -0.29 3.89 1.70 -1.26 0.35 118.95 121.86 3kno s ARG 41 Ca 0.33 -0.93 -0.07 0.00 -0.47 0.00 0.00 55.73 54.59 3kno s ARG 41 Cb -0.05 -2.31 0.01 0.00 -0.57 0.00 0.00 34.95 32.03 3kno s ARG 41 CO 0.20 0.54 0.08 -0.65 -1.08 0.00 0.00 175.30 174.39 3kno s GLN 42 N -1.70 3.12 0.19 3.89 -0.21 0.31 -4.93 119.66 120.33 3kno s GLN 42 Ca 0.18 -0.84 -0.15 0.00 0.02 0.00 0.00 55.36 54.57 3kno s GLN 42 Cb -0.11 -3.37 -0.07 0.00 1.00 0.00 0.00 33.01 30.46 3kno s GLN 42 CO 0.09 -0.43 0.61 0.71 -2.12 0.00 0.00 175.29 174.15 3kno s TYR 43 N 1.51 3.58 -0.10 0.91 1.51 -1.26 -1.16 117.35 122.33 3kno s TYR 43 Ca 0.03 1.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.93 3kno s TYR 43 Cb -0.17 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 3kno s TYR 43 CO 0.02 0.36 1.40 -2.14 -1.11 0.00 0.00 175.55 174.08 3kno s PRO 44 N -2.13 4.23 0.00 -1.71 0.02 -1.26 -4.86 135.00 129.29 3kno s PRO 44 Ca 0.41 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3kno s PRO 44 Cb -0.15 -3.78 0.00 0.00 0.02 0.00 0.00 34.50 30.59 3kno s PRO 44 CO 0.20 -0.71 0.13 -1.71 -0.33 0.00 0.00 177.00 174.58 3kno n ASN 45 N 6.47 0.00 -4.72 2.53 4.05 -1.26 -4.86 115.26 117.46 3kno n ASN 45 Ca 0.15 -1.13 -0.35 0.00 0.45 0.00 0.00 54.58 53.70 3kno n ASN 45 Cb 0.44 0.00 0.09 0.00 1.23 0.00 0.00 39.78 41.54 3kno n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 3kno s LEU 46 N 0.00 3.34 0.00 1.20 -0.00 -1.26 -3.21 118.68 118.75 3kno s LEU 46 Ca 0.00 2.39 0.00 0.00 -0.00 0.00 0.00 54.13 56.53 3kno s LEU 46 Cb 0.00 -4.59 -0.00 0.00 -0.00 0.00 0.00 46.19 41.60 3kno s LEU 46 CO 0.00 -2.26 0.00 0.00 -0.00 0.00 0.00 176.35 174.09 3kno n GLN 47 N -2.66 0.63 -4.73 1.48 1.13 0.68 -4.85 117.38 109.07 3kno n GLN 47 Ca 0.14 -0.09 -0.33 0.00 -1.94 0.00 0.00 57.00 54.78 3kno n GLN 47 Cb 0.50 0.05 -0.13 0.00 0.11 0.00 0.00 30.24 30.77 3kno n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3kno s LYS 48 N -2.04 3.06 -0.15 -1.09 1.02 -1.26 -2.23 119.74 117.06 3kno s LYS 48 Ca 0.01 -0.64 -0.00 0.00 0.02 0.00 0.00 55.97 55.36 3kno s LYS 48 Cb 0.00 -2.59 0.03 0.00 -0.52 0.00 0.00 37.83 34.75 3kno s LYS 48 CO 0.00 0.42 -0.08 0.08 -0.92 0.00 0.00 175.35 174.85 3kno s VAL 49 N -0.16 1.24 -0.15 3.17 1.01 0.48 -4.96 120.40 121.02 3kno s VAL 49 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 3kno s VAL 49 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3kno s VAL 49 CO 0.03 0.26 0.40 -0.60 0.00 0.00 0.00 175.10 175.18 3kno s ARG 50 N 1.60 4.27 0.18 2.72 3.52 -1.26 0.25 118.95 130.23 3kno s ARG 50 Ca 0.02 0.27 0.11 0.00 -0.13 0.00 0.00 55.73 56.01 3kno s ARG 50 Cb -0.14 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3kno s ARG 50 CO -0.08 0.13 -0.24 0.54 -0.81 0.00 0.00 175.30 174.84 3kno s VAL 51 N 0.75 2.32 0.08 7.11 0.11 -1.01 -5.00 120.40 124.76 3kno s VAL 51 Ca 0.21 -1.99 -0.15 0.00 -2.93 0.00 0.00 61.98 57.11 3kno s VAL 51 Cb -0.14 -2.10 -0.11 0.00 -1.53 0.00 0.00 36.38 32.49 3kno s VAL 51 CO 0.07 -0.09 1.36 0.08 -3.33 0.00 0.00 175.10 173.19 3kno h ARG 52 N 3.30 0.66 -0.51 1.54 0.11 -1.84 -3.39 114.38 114.25 3kno h ARG 52 Ca -0.47 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.21 3kno h ARG 52 Cb 1.20 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3kno h ARG 52 CO 0.47 1.02 0.00 0.28 0.10 0.00 0.00 179.97 181.83 3kno n VAL 53 N -4.24 -0.00 0.00 0.08 0.31 -1.26 -4.22 118.33 109.00 3kno n VAL 53 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3kno n VAL 53 Cb 0.52 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 3kno n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kno n ALA 54 N 1.55 0.00 -0.02 3.52 0.00 -1.26 -2.74 120.51 121.56 3kno n ALA 54 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3kno n ALA 54 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3kno n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 55 N 0.00 -0.88 3.28 0.00 0.00 -1.26 -5.00 105.19 101.32 3kno n GLY 55 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3kno n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kno n GLN 56 N -2.26 -1.03 -0.13 1.61 1.13 -1.11 -5.07 117.38 110.53 3kno n GLN 56 Ca -0.08 -1.79 -0.25 0.00 -1.94 0.00 0.00 57.00 52.94 3kno n GLN 56 Cb 0.61 -1.12 -0.08 0.00 0.11 0.00 0.00 30.24 29.76 3kno n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kno n GLU 57 N -3.34 0.56 -1.51 -1.09 2.13 -1.26 -4.37 120.64 111.77 3kno n GLU 57 Ca 0.14 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.21 3kno n GLU 57 Cb 0.49 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.75 3kno n GLU 57 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3kno n ILE 58 N -4.26 -0.21 -4.36 6.31 3.06 -1.26 -3.47 119.36 115.17 3kno n ILE 58 Ca -0.46 0.06 -0.25 0.00 -2.50 0.00 0.00 62.75 59.61 3kno n ILE 58 Cb 0.80 -0.37 -0.12 0.00 0.54 0.00 0.00 39.64 40.49 3kno n ILE 58 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3kno s THR 59 N -0.45 2.03 -0.11 9.51 -4.23 -1.26 -2.39 115.64 118.75 3kno s THR 59 Ca 0.00 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3kno s THR 59 Cb 0.00 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 3kno s THR 59 CO 0.00 -0.10 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.48 3kno s PHE 60 N -1.49 2.77 -0.49 3.99 0.08 0.14 -4.92 117.98 118.06 3kno s PHE 60 Ca 0.14 -0.51 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 3kno s PHE 60 Cb -0.08 -1.78 0.07 0.00 -0.57 0.00 0.00 43.02 40.66 3kno s PHE 60 CO 0.07 -0.10 0.47 0.50 -0.10 0.00 0.00 175.22 176.06 3kno s ARG 61 N 0.03 3.02 0.22 0.44 3.52 -1.26 -0.39 118.95 124.53 3kno s ARG 61 Ca -0.05 -1.24 0.03 0.00 -0.13 0.00 0.00 55.73 54.35 3kno s ARG 61 Cb -0.14 -4.13 -0.05 0.00 -1.56 0.00 0.00 34.95 29.06 3kno s ARG 61 CO 0.04 -1.11 -0.01 0.54 -0.81 0.00 0.00 175.30 173.95 3kno s VAL 62 N 1.94 1.01 0.51 7.11 0.11 -0.94 -1.16 120.40 128.97 3kno s VAL 62 Ca 0.07 -2.03 -0.20 0.00 -2.93 0.00 0.00 61.98 56.89 3kno s VAL 62 Cb -0.23 -2.29 -0.07 0.00 -1.53 0.00 0.00 36.38 32.26 3kno s VAL 62 CO 0.08 -0.37 1.10 0.00 -3.33 0.00 0.00 175.10 172.58 3kno s ALA 63 N -3.43 2.80 0.27 1.54 0.00 -1.26 -0.23 121.76 121.44 3kno s ALA 63 Ca 0.27 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 3kno s ALA 63 Cb 0.05 -3.32 0.39 0.00 0.00 0.00 0.00 23.12 20.24 3kno s ALA 63 CO 0.08 -0.58 1.89 0.00 0.00 0.00 0.00 175.76 177.15 3kno h ALA 64 N 1.46 1.39 0.00 0.00 0.00 -1.87 -0.90 119.26 119.34 3kno h ALA 64 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kno h ALA 64 Cb 1.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kno h ALA 64 CO 0.58 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 179.18 3kno n SER 65 N -4.48 0.00 0.00 0.00 3.41 -1.26 -2.52 113.62 108.77 3kno n SER 65 Ca 0.15 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3kno n SER 65 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3kno n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kno n HIS 66 N -0.88 0.00 -0.37 7.33 -0.00 -0.39 -4.75 115.22 116.16 3kno n HIS 66 Ca 0.12 -0.13 0.29 0.00 -0.00 0.00 0.00 57.72 58.00 3kno n HIS 66 Cb 0.05 -0.01 0.58 0.00 -0.00 0.00 0.00 29.99 30.61 3kno n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3kno h ILE 67 N 0.79 0.35 -0.38 1.59 2.04 -1.14 0.16 117.51 120.93 3kno h ILE 67 Ca 0.00 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 3kno h ILE 67 Cb 0.43 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3kno h ILE 67 CO 0.00 0.04 -0.26 1.55 0.00 0.00 0.00 178.15 179.48 3kno h PRO 68 N 0.24 0.85 -0.05 2.37 0.13 -1.85 -2.86 132.00 130.83 3kno h PRO 68 Ca 0.69 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 65.43 3kno h PRO 68 Cb 2.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 33.12 3kno h PRO 68 CO -0.33 1.04 0.65 -0.22 -0.23 0.00 0.00 178.00 178.91 3kno h LYS 69 N 0.65 0.00 0.20 0.86 1.63 -1.02 0.95 116.57 119.82 3kno h LYS 69 Ca 0.07 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.57 3kno h LYS 69 Cb 0.83 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.49 3kno h LYS 69 CO 0.07 0.00 -1.37 0.28 -3.45 0.00 0.00 179.45 174.98 3kno h VAL 70 N 0.00 1.38 0.00 2.00 2.07 -1.53 -1.84 116.25 118.33 3kno h VAL 70 Ca 0.02 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 64.69 3kno h VAL 70 Cb 1.32 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 34.07 3kno h VAL 70 CO -0.00 0.84 -0.04 1.88 0.02 0.00 0.00 177.57 180.27 3kno h TYR 71 N 0.12 0.00 0.03 1.57 -1.99 0.76 -1.64 116.97 115.83 3kno h TYR 71 Ca -0.20 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.35 3kno h TYR 71 Cb 2.08 0.00 0.02 0.00 2.00 0.00 0.00 36.73 40.82 3kno h TYR 71 CO 0.10 0.04 -0.71 1.49 -0.00 0.00 0.00 178.16 179.07 3kno h GLU 72 N 0.00 0.42 -0.13 4.88 4.81 -1.17 -2.85 114.58 120.55 3kno h GLU 72 Ca -0.00 -0.50 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 3kno h GLU 72 Cb 0.96 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3kno h GLU 72 CO 0.00 1.16 -0.09 1.25 -0.73 0.00 0.00 179.01 180.61 3kno h LEU 73 N -0.09 0.18 -0.39 1.64 6.46 -1.21 -1.86 115.31 120.03 3kno h LEU 73 Ca -0.10 -0.03 -0.17 0.00 -0.12 0.00 0.00 57.88 57.47 3kno h LEU 73 Cb 1.44 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.32 3kno h LEU 73 CO 0.14 0.30 -0.42 0.58 -0.62 0.00 0.00 178.44 178.41 3kno h VAL 74 N 0.19 1.27 0.24 1.05 2.07 -1.28 -3.24 116.25 116.55 3kno h VAL 74 Ca 0.04 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3kno h VAL 74 Cb 0.28 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3kno h VAL 74 CO 0.01 0.53 -0.11 -0.33 0.02 0.00 0.00 177.57 177.69 3kno h GLU 75 N 0.73 -0.30 -2.11 1.57 3.07 -1.21 -3.02 114.58 113.32 3kno h GLU 75 Ca 0.05 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 3kno h GLU 75 Cb 1.02 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.96 3kno h GLU 75 CO 0.10 0.06 -0.13 2.89 -1.40 0.00 0.00 179.01 180.53 3kno n ARG 76 N -5.04 1.28 0.00 2.33 1.85 -0.74 -1.46 116.66 114.88 3kno n ARG 76 Ca -0.09 -0.46 0.00 0.00 -1.00 0.00 0.00 57.85 56.30 3kno n ARG 76 Cb 0.26 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 3kno n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kno n ALA 77 N 2.16 1.14 0.00 2.89 0.00 -1.19 -4.75 120.51 120.76 3kno n ALA 77 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3kno n ALA 77 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3kno n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kno n LYS 78 N -0.85 0.00 -1.68 0.00 5.02 -0.54 -0.11 118.16 120.00 3kno n LYS 78 Ca 0.00 0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 56.06 3kno n LYS 78 Cb 0.00 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 33.48 3kno n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kno n GLY 79 N -0.99 5.80 3.35 0.72 0.00 -1.26 -4.97 105.19 107.84 3kno n GLY 79 Ca 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 46.02 43.49 3kno n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kno s LEU 80 N -3.88 0.79 -0.99 0.99 1.43 0.85 -5.09 118.68 112.78 3kno s LEU 80 Ca 0.58 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 3kno s LEU 80 Cb 0.47 1.44 0.17 0.00 0.03 0.00 0.00 46.19 48.30 3kno s LEU 80 CO -0.17 -0.89 1.13 -0.54 0.23 0.00 0.00 176.35 176.11 3kno s LYS 81 N -3.91 3.76 -0.59 1.70 1.02 -1.26 -4.96 119.74 115.50 3kno s LYS 81 Ca 0.12 -2.19 -0.02 0.00 0.02 0.00 0.00 55.97 53.89 3kno s LYS 81 Cb 0.02 -4.83 0.15 0.00 -0.52 0.00 0.00 37.83 32.66 3kno s LYS 81 CO -0.04 -1.64 0.40 -0.51 -0.92 0.00 0.00 175.35 172.64 3kno s LEU 82 N 1.65 5.19 0.00 3.17 2.01 -1.26 -5.02 118.68 124.41 3kno s LEU 82 Ca 0.32 -2.75 0.00 0.00 0.01 0.00 0.00 54.13 51.72 3kno s LEU 82 Cb -0.06 -1.84 0.00 0.00 0.01 0.00 0.00 46.19 44.30 3kno s LEU 82 CO -0.07 -0.39 0.00 -0.62 1.01 0.00 0.00 176.35 176.28 3kno n GLU 83 N 3.62 0.64 -2.12 1.70 4.71 -1.26 -4.58 120.64 123.36 3kno n GLU 83 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 3kno n GLU 83 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.81 3kno n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kno n GLY 84 N 0.80 -4.96 3.49 0.62 0.00 -1.26 -4.41 105.19 99.48 3kno n GLY 84 Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3kno n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kno n LEU 85 N 1.93 -0.85 -2.78 0.99 4.77 -1.26 -4.67 117.00 115.14 3kno n LEU 85 Ca 0.00 -0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 55.59 3kno n LEU 85 Cb 0.00 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.49 3kno n LEU 85 CO 0.00 -1.18 0.21 -1.54 -1.33 0.00 0.00 177.39 173.55 3kno n SER 86 N 7.26 -0.85 -0.19 -1.43 3.41 -1.26 -4.96 113.62 115.60 3kno n SER 86 Ca 0.67 -2.92 -0.01 0.00 -0.26 0.00 0.00 58.87 56.35 3kno n SER 86 Cb 0.10 0.66 0.09 0.00 -0.26 0.00 0.00 64.21 64.80 3kno n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3kno h PRO 87 N 2.64 0.40 -0.33 4.33 0.13 -1.94 1.08 132.00 138.30 3kno h PRO 87 Ca -0.13 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.03 3kno h PRO 87 Cb 1.17 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 3kno h PRO 87 CO 0.20 0.26 -0.01 -0.22 -0.23 0.00 0.00 178.00 178.00 3kno h LYS 88 N 0.41 0.08 0.52 0.86 3.11 -1.98 -2.44 116.57 117.13 3kno h LYS 88 Ca 0.28 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.09 3kno h LYS 88 Cb 0.32 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.54 3kno h LYS 88 CO -0.27 0.05 -0.25 0.93 -2.81 0.00 0.00 179.45 177.10 3kno h GLU 89 N 0.08 -0.68 -0.58 1.90 5.08 -1.47 -3.09 114.58 115.83 3kno h GLU 89 Ca 0.16 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.76 3kno h GLU 89 Cb 0.22 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 3kno h GLU 89 CO -0.28 -0.38 0.14 -0.89 -1.00 0.00 0.00 179.01 176.61 3kno n ILE 90 N -5.31 -0.24 0.38 3.13 2.08 0.36 0.16 119.36 119.91 3kno n ILE 90 Ca -0.11 1.22 -0.16 0.00 0.56 0.00 0.00 62.75 64.26 3kno n ILE 90 Cb 0.32 -1.87 -0.08 0.00 -0.75 0.00 0.00 39.64 37.26 3kno n ILE 90 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3kno h LYS 91 N 0.00 -0.95 -1.08 0.38 3.64 -1.36 -2.89 116.57 114.31 3kno h LYS 91 Ca 0.41 0.06 0.36 0.00 -1.27 0.00 0.00 60.65 60.22 3kno h LYS 91 Cb 0.96 0.22 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 3kno h LYS 91 CO -0.50 -0.62 0.64 -0.22 -2.27 0.00 0.00 179.45 176.48 3kno h LYS 92 N -1.22 0.21 0.12 1.90 1.63 -0.31 -1.32 116.57 117.57 3kno h LYS 92 Ca -0.10 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3kno h LYS 92 Cb 0.77 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 3kno h LYS 92 CO 0.17 0.14 -0.44 0.93 -3.45 0.00 0.00 179.45 176.80 3kno h GLU 93 N 0.22 -0.61 -5.25 1.90 4.39 -1.13 -3.36 114.58 110.73 3kno h GLU 93 Ca 0.76 0.04 -0.50 0.00 0.34 0.00 0.00 59.36 60.00 3kno h GLU 93 Cb 1.97 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 30.71 3kno h GLU 93 CO -0.57 -0.41 1.70 1.28 -1.16 0.00 0.00 179.01 179.85 3kno n LEU 94 N -4.95 0.96 -2.77 1.33 4.77 -0.50 -2.75 117.00 113.08 3kno n LEU 94 Ca -0.07 0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 3kno n LEU 94 Cb 0.34 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 3kno n LEU 94 CO 0.13 -0.97 -0.46 -0.11 -1.33 0.00 0.00 177.39 174.66 3kno n LEU 95 N 11.94 -5.72 0.00 2.23 7.94 -1.26 -5.05 117.00 127.08 3kno n LEU 95 Ca 0.56 1.82 0.00 0.00 -1.11 0.00 0.00 56.01 57.28 3kno n LEU 95 Cb 0.18 -2.71 0.00 0.00 0.53 0.00 0.00 43.42 41.42 3kno n LEU 95 CO 0.86 -3.59 0.00 0.29 -1.11 0.00 0.00 177.39 173.84