#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn s VAL 2 N 0.00 2.43 0.17 3.17 0.11 -1.26 -1.77 120.40 123.25 3knn s VAL 2 Ca 0.00 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 3knn s VAL 2 Cb 0.00 -3.13 0.01 0.00 -1.53 0.00 0.00 36.38 31.73 3knn s VAL 2 CO 0.00 0.01 0.05 0.29 -3.33 0.00 0.00 175.10 172.12 3knn n LYS 3 N 4.57 1.46 -3.62 1.54 5.02 0.02 -3.36 118.16 123.78 3knn n LYS 3 Ca 0.16 -1.20 -0.22 0.00 -2.02 0.00 0.00 58.31 55.03 3knn n LYS 3 Cb 0.37 0.26 -0.17 0.00 -0.02 0.00 0.00 35.03 35.47 3knn n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3knn s ILE 4 N -1.36 -0.14 0.00 -0.18 1.01 -1.17 -3.29 121.20 116.07 3knn s ILE 4 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3knn s ILE 4 Cb -0.00 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 42.02 3knn s ILE 4 CO 0.02 -0.10 0.00 -2.11 0.00 0.00 0.00 174.94 172.75 3knn n ARG 5 N 5.30 0.00 -3.56 2.79 1.85 0.12 -1.50 116.66 121.65 3knn n ARG 5 Ca -0.05 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.48 3knn n ARG 5 Cb 0.49 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.86 3knn n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3knn s LEU 6 N 0.00 4.21 -0.31 2.89 1.02 -1.26 0.17 118.68 125.40 3knn s LEU 6 Ca 0.00 0.69 -0.01 0.00 0.02 0.00 0.00 54.13 54.84 3knn s LEU 6 Cb 0.00 -3.44 0.13 0.00 0.02 0.00 0.00 46.19 42.90 3knn s LEU 6 CO 0.00 -0.01 0.25 0.00 0.02 0.00 0.00 176.35 176.61 3knn s ALA 7 N -1.76 -0.02 0.28 4.21 0.00 -1.13 -4.89 121.76 118.46 3knn s ALA 7 Ca 0.43 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 3knn s ALA 7 Cb -0.12 -1.70 -0.11 0.00 0.00 0.00 0.00 23.12 21.19 3knn s ALA 7 CO 0.24 -1.80 1.51 0.50 0.00 0.00 0.00 175.76 176.21 3knn s ARG 8 N 2.03 4.19 0.00 0.00 3.52 -1.26 -2.54 118.95 124.89 3knn s ARG 8 Ca 0.11 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 3knn s ARG 8 Cb -0.16 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3knn s ARG 8 CO -0.27 -0.52 0.00 1.19 -0.81 0.00 0.00 175.30 174.90 3knn n PHE 9 N 2.01 0.00 -4.67 5.12 3.72 0.14 -4.87 117.46 118.90 3knn n PHE 9 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3knn n PHE 9 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3knn n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3knn n GLY 10 N 1.97 -0.73 1.44 1.37 0.00 -1.26 -3.71 105.19 104.26 3knn n GLY 10 Ca 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 3knn n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3knn n SER 11 N -1.82 0.87 -4.64 1.61 7.64 -1.15 -4.96 113.62 111.17 3knn n SER 11 Ca 0.00 -1.58 -0.43 0.00 1.01 0.00 0.00 58.87 57.87 3knn n SER 11 Cb 0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 3knn n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3knn s LYS 12 N -2.95 3.98 0.00 1.43 2.20 -1.26 -1.40 119.74 121.74 3knn s LYS 12 Ca 0.21 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 3knn s LYS 12 Cb -0.02 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3knn s LYS 12 CO 0.14 -1.04 0.00 0.72 -0.36 0.00 0.00 175.35 174.81 3knn n HIS 13 N 7.53 0.00 -3.21 4.03 8.25 -1.26 -4.93 115.22 125.63 3knn n HIS 13 Ca 0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.35 3knn n HIS 13 Cb 0.46 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 3knn n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3knn n ASN 14 N 0.24 3.76 -4.68 0.41 2.85 -0.49 -5.07 115.26 112.27 3knn n ASN 14 Ca 0.00 -3.49 -0.46 0.00 -0.11 0.00 0.00 54.58 50.53 3knn n ASN 14 Cb 0.00 -0.62 -0.04 0.00 1.24 0.00 0.00 39.78 40.36 3knn n ASN 14 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3knn n PRO 15 N 0.42 2.40 -3.47 1.20 -0.02 -1.26 -2.93 135.00 131.34 3knn n PRO 15 Ca 0.30 0.87 -0.26 0.00 -2.02 0.00 0.00 63.50 62.39 3knn n PRO 15 Cb 0.42 -2.72 -0.12 0.00 -0.02 0.00 0.00 33.50 31.05 3knn n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3knn s HIS 16 N 2.91 0.31 0.47 6.00 3.76 -1.24 -4.34 115.29 123.15 3knn s HIS 16 Ca 0.86 -1.08 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 3knn s HIS 16 Cb -0.61 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 3knn s HIS 16 CO 0.43 -0.86 0.75 0.71 -0.85 0.00 0.00 174.74 174.92 3knn s TYR 17 N 1.65 3.45 -0.07 1.40 1.51 0.16 0.24 117.35 125.68 3knn s TYR 17 Ca 0.14 0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 56.80 3knn s TYR 17 Cb -0.18 -2.30 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3knn s TYR 17 CO -0.17 -0.31 0.02 0.50 -1.11 0.00 0.00 175.55 174.48 3knn s ARG 18 N -4.68 0.41 -0.15 -0.62 3.52 -1.05 -0.11 118.95 116.26 3knn s ARG 18 Ca 0.47 0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 3knn s ARG 18 Cb -0.10 -0.89 -0.05 0.00 -1.56 0.00 0.00 34.95 32.35 3knn s ARG 18 CO 0.42 -0.33 1.89 0.42 -0.81 0.00 0.00 175.30 176.90 3knn s ILE 19 N 2.03 3.30 0.16 4.11 -1.09 1.23 -2.82 121.20 128.12 3knn s ILE 19 Ca 0.05 0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.88 3knn s ILE 19 Cb -0.12 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3knn s ILE 19 CO -0.05 -0.13 -0.15 0.54 -1.23 0.00 0.00 174.94 173.93 3knn s VAL 20 N 5.94 1.56 -0.65 2.92 0.11 0.13 0.20 120.40 130.61 3knn s VAL 20 Ca 0.85 -1.97 0.03 0.00 -2.93 0.00 0.00 61.98 57.96 3knn s VAL 20 Cb -0.32 -1.82 0.35 0.00 -1.53 0.00 0.00 36.38 33.07 3knn s VAL 20 CO 0.34 -0.50 1.21 0.55 -3.33 0.00 0.00 175.10 173.38 3knn n VAL 21 N 0.08 3.54 -2.29 2.04 3.14 -0.28 0.16 118.33 124.71 3knn n VAL 21 Ca -0.12 -5.45 -0.22 0.00 -2.96 0.00 0.00 64.34 55.59 3knn n VAL 21 Cb 0.59 -1.39 0.13 0.00 -1.06 0.00 0.00 33.84 32.11 3knn n VAL 21 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3knn n THR 22 N -0.28 0.00 -3.41 1.55 5.66 -1.21 -4.02 114.28 112.58 3knn n THR 22 Ca 0.37 -1.19 -0.38 0.00 -3.05 0.00 0.00 64.05 59.80 3knn n THR 22 Cb 0.41 -1.18 -0.06 0.00 -1.55 0.00 0.00 70.33 67.95 3knn n THR 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3knn s ASP 23 N -4.83 6.82 0.29 1.09 -1.08 -1.26 -0.80 116.67 116.90 3knn s ASP 23 Ca 0.61 0.98 -0.01 0.00 -0.52 0.00 0.00 52.55 53.61 3knn s ASP 23 Cb -0.03 -2.28 0.67 0.00 -1.46 0.00 0.00 42.92 39.82 3knn s ASP 23 CO 0.41 0.23 1.59 0.00 0.52 0.00 0.00 175.17 177.92 3knn h ALA 24 N 5.21 1.07 0.00 3.66 0.00 -1.67 -1.22 119.26 126.31 3knn h ALA 24 Ca -0.48 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3knn h ALA 24 Cb 1.21 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3knn h ALA 24 CO 0.66 -0.52 0.00 0.54 0.00 0.00 0.00 179.25 179.92 3knn n ARG 25 N -5.45 0.03 -0.91 0.00 1.74 -1.26 -4.79 116.66 106.02 3knn n ARG 25 Ca 0.21 0.42 -0.17 0.00 -0.77 0.00 0.00 57.85 57.54 3knn n ARG 25 Cb 0.68 -1.58 0.13 0.00 -1.02 0.00 0.00 32.46 30.67 3knn n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knn n ARG 26 N -1.65 -1.39 -3.61 5.56 1.74 -0.46 -5.05 116.66 111.79 3knn n ARG 26 Ca 0.01 -1.14 -0.30 0.00 -0.77 0.00 0.00 57.85 55.66 3knn n ARG 26 Cb 0.08 -0.87 -0.04 0.00 -1.02 0.00 0.00 32.46 30.61 3knn n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3knn s LYS 27 N -4.61 3.60 0.22 5.56 0.00 -1.26 -5.00 119.74 118.24 3knn s LYS 27 Ca 0.43 -0.13 -0.15 0.00 0.00 0.00 0.00 55.97 56.13 3knn s LYS 27 Cb -0.02 -2.80 0.24 0.00 0.00 0.00 0.00 37.83 35.25 3knn s LYS 27 CO 0.32 0.40 1.60 -0.09 0.00 0.00 0.00 175.35 177.57 3knn h ARG 28 N 2.38 -0.05 -1.01 1.78 2.43 -1.95 -1.11 114.38 116.86 3knn h ARG 28 Ca -0.47 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.09 3knn h ARG 28 Cb 1.18 0.01 -0.29 0.00 -0.42 0.00 0.00 29.97 30.44 3knn h ARG 28 CO 0.70 -0.03 0.80 -0.25 -1.51 0.00 0.00 179.97 179.68 3knn n ASP 29 N -5.47 6.38 -3.15 -3.80 10.43 -1.26 -4.53 116.55 115.15 3knn n ASP 29 Ca 0.08 -3.71 -0.08 0.00 2.57 0.00 0.00 54.79 53.65 3knn n ASP 29 Cb 0.37 -0.93 0.03 0.00 1.84 0.00 0.00 41.12 42.42 3knn n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3knn n GLY 30 N -0.97 1.81 3.64 0.44 0.00 -0.42 -5.03 105.19 104.67 3knn n GLY 30 Ca 0.61 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 44.02 3knn n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knn n LYS 31 N -1.53 1.78 -4.19 1.61 4.81 -1.26 -4.96 118.16 114.43 3knn n LYS 31 Ca 0.07 0.64 -0.26 0.00 -0.87 0.00 0.00 58.31 57.89 3knn n LYS 31 Cb 0.24 -2.27 -0.17 0.00 0.02 0.00 0.00 35.03 32.85 3knn n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3knn s TYR 32 N 0.08 1.44 0.44 5.64 1.13 -1.26 -4.83 117.35 119.98 3knn s TYR 32 Ca 0.72 -0.63 0.35 0.00 -1.41 0.00 0.00 57.07 56.09 3knn s TYR 32 Cb -0.72 -1.14 1.46 0.00 -1.10 0.00 0.00 41.96 40.46 3knn s TYR 32 CO 0.48 -0.40 1.47 -0.89 -2.51 0.00 0.00 175.55 173.70 3knn n ILE 33 N 4.45 -0.18 -3.64 -3.49 2.08 -1.26 -4.57 119.36 112.74 3knn n ILE 33 Ca -0.17 1.63 -0.04 0.00 0.56 0.00 0.00 62.75 64.73 3knn n ILE 33 Cb 0.51 -2.68 -0.07 0.00 -0.75 0.00 0.00 39.64 36.65 3knn n ILE 33 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3knn s GLU 34 N -5.05 0.29 -0.06 0.38 2.12 -1.26 -4.96 118.70 110.16 3knn s GLU 34 Ca -0.06 0.41 -0.24 0.00 0.36 0.00 0.00 54.97 55.43 3knn s GLU 34 Cb 0.28 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 3knn s GLU 34 CO 0.79 -0.05 0.74 0.21 -0.54 0.00 0.00 175.26 176.41 3knn s LYS 35 N 0.60 4.45 -0.27 4.30 2.20 -1.26 -1.12 119.74 128.63 3knn s LYS 35 Ca -0.01 0.95 0.21 0.00 -0.36 0.00 0.00 55.97 56.76 3knn s LYS 35 Cb -0.04 -3.45 0.49 0.00 -1.51 0.00 0.00 37.83 33.31 3knn s LYS 35 CO -0.11 0.04 1.18 0.44 -0.36 0.00 0.00 175.35 176.53 3knn n ILE 36 N 3.83 1.03 0.00 5.43 -5.35 0.13 -4.98 119.36 119.45 3knn n ILE 36 Ca -0.00 -2.55 0.00 0.00 -0.27 0.00 0.00 62.75 59.92 3knn n ILE 36 Cb 0.51 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 3knn n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knn n GLY 37 N -0.73 4.30 3.95 3.28 0.00 -1.21 -3.08 105.19 111.70 3knn n GLY 37 Ca 0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 3knn n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3knn s TYR 38 N -0.10 3.47 -0.21 1.61 -0.85 -1.12 0.38 117.35 120.52 3knn s TYR 38 Ca 0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 57.07 56.60 3knn s TYR 38 Cb 0.00 -1.67 0.10 0.00 0.38 0.00 0.00 41.96 40.77 3knn s TYR 38 CO 0.00 0.40 0.42 -0.47 -1.52 0.00 0.00 175.55 174.39 3knn s TYR 39 N -1.96 -0.84 -0.41 -3.49 5.04 0.84 -4.18 117.35 112.34 3knn s TYR 39 Ca 0.36 1.41 -0.07 0.00 -2.44 0.00 0.00 57.07 56.33 3knn s TYR 39 Cb -0.10 0.27 0.09 0.00 0.35 0.00 0.00 41.96 42.57 3knn s TYR 39 CO 0.30 -0.55 0.23 0.34 -1.34 0.00 0.00 175.55 174.53 3knn s ASP 40 N 2.62 5.49 0.00 4.32 3.68 -1.23 -0.67 116.67 130.89 3knn s ASP 40 Ca 0.02 -1.62 0.04 0.00 2.13 0.00 0.00 52.55 53.11 3knn s ASP 40 Cb -0.13 -1.93 0.23 0.00 -1.45 0.00 0.00 42.92 39.64 3knn s ASP 40 CO -0.14 -0.53 0.79 -0.81 0.13 0.00 0.00 175.17 174.62 3knn n PRO 41 N 4.82 0.60 -0.01 4.34 -0.04 -1.26 -2.37 135.00 141.08 3knn n PRO 41 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.39 3knn n PRO 41 Cb 0.42 -1.10 0.02 0.00 -0.04 0.00 0.00 33.50 32.80 3knn n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knn n ARG 42 N -0.60 0.53 -4.42 0.54 1.74 -1.26 -4.99 116.66 108.19 3knn n ARG 42 Ca 0.03 -0.97 -0.39 0.00 -0.77 0.00 0.00 57.85 55.74 3knn n ARG 42 Cb 0.01 -1.06 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 3knn n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knn n LYS 43 N 0.02 -0.76 0.31 5.56 4.01 -1.00 -4.71 118.16 121.60 3knn n LYS 43 Ca 0.02 0.13 0.20 0.00 -0.51 0.00 0.00 58.31 58.14 3knn n LYS 43 Cb 0.14 -4.36 1.05 0.00 -0.51 0.00 0.00 35.03 31.35 3knn n LYS 43 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 3knn h THR 44 N -1.02 0.17 -2.70 -0.18 1.35 -1.94 -3.39 112.91 105.20 3knn h THR 44 Ca -0.59 0.00 -0.60 0.00 -0.55 0.00 0.00 66.41 64.67 3knn h THR 44 Cb 1.35 0.93 -0.12 0.00 -1.73 0.00 0.00 68.15 68.58 3knn h THR 44 CO 0.84 0.00 -0.69 0.28 -0.25 0.00 0.00 175.52 175.70 3knn s THR 45 N -4.31 3.33 -0.90 6.82 -1.32 -1.26 -5.04 115.64 112.95 3knn s THR 45 Ca -0.05 -1.73 0.26 0.00 -1.21 0.00 0.00 61.69 58.96 3knn s THR 45 Cb 0.13 -2.70 0.12 0.00 -1.51 0.00 0.00 72.50 68.55 3knn s THR 45 CO 0.44 -0.21 1.61 -0.81 -2.21 0.00 0.00 174.62 173.44 3knn n PRO 46 N -0.31 0.08 -3.25 7.08 -0.04 -1.26 -4.19 135.00 133.12 3knn n PRO 46 Ca -0.09 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 3knn n PRO 46 Cb 0.57 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 3knn n PRO 46 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3knn n ASP 47 N -1.70 4.44 -2.34 3.54 5.75 -1.26 -4.93 116.55 120.04 3knn n ASP 47 Ca 0.06 -3.50 -0.34 0.00 -0.01 0.00 0.00 54.79 51.00 3knn n ASP 47 Cb 0.37 -0.76 0.07 0.00 -1.03 0.00 0.00 41.12 39.77 3knn n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 3knn n TRP 48 N 0.69 3.16 -1.57 2.11 4.27 -1.26 -4.61 117.44 120.22 3knn n TRP 48 Ca 0.30 -2.88 0.00 0.00 -3.89 0.00 0.00 57.50 51.03 3knn n TRP 48 Cb 0.39 -1.28 0.00 0.00 -1.36 0.00 0.00 31.31 29.06 3knn n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3knn n LEU 49 N -0.86 0.00 -2.82 5.67 7.94 -1.26 -3.48 117.00 122.19 3knn n LEU 49 Ca 0.60 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 55.12 3knn n LEU 49 Cb 0.66 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.56 3knn n LEU 49 CO 0.72 0.15 0.37 1.17 -1.11 0.00 0.00 177.39 178.69 3knn n LYS 50 N 0.00 0.00 -4.10 1.96 0.00 -1.26 -4.66 118.16 110.10 3knn n LYS 50 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 3knn n LYS 50 Cb 0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 35.03 34.14 3knn n LYS 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3knn s VAL 51 N 0.07 0.31 -1.12 3.15 1.01 -1.26 -2.81 120.40 119.75 3knn s VAL 51 Ca 0.57 -1.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 3knn s VAL 51 Cb -0.80 -1.47 0.24 0.00 0.00 0.00 0.00 36.38 34.35 3knn s VAL 51 CO 0.36 -0.94 1.19 -0.62 0.00 0.00 0.00 175.10 175.09 3knn s ASP 52 N -2.84 7.20 0.34 3.32 3.68 -1.18 -4.86 116.67 122.33 3knn s ASP 52 Ca 0.06 -3.32 0.14 0.00 2.13 0.00 0.00 52.55 51.56 3knn s ASP 52 Cb 0.06 -2.27 1.09 0.00 -1.45 0.00 0.00 42.92 40.35 3knn s ASP 52 CO -0.08 -0.46 1.63 -0.37 0.13 0.00 0.00 175.17 176.01 3knn h VAL 53 N 4.09 0.19 0.32 1.11 -1.51 -1.91 -0.27 116.25 118.28 3knn h VAL 53 Ca 0.21 -0.06 -0.00 0.00 -1.23 0.00 0.00 66.70 65.62 3knn h VAL 53 Cb 0.89 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 3knn h VAL 53 CO 1.07 0.03 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.83 3knn h GLU 54 N 0.18 -0.60 0.05 5.19 4.39 -1.97 -3.19 114.58 118.63 3knn h GLU 54 Ca 0.73 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.47 3knn h GLU 54 Cb 1.74 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 3knn h GLU 54 CO -0.69 -0.40 -0.02 0.00 -1.16 0.00 0.00 179.01 176.74 3knn h ARG 55 N -0.63 -0.06 -1.39 2.33 2.47 -1.64 -3.07 114.38 112.40 3knn h ARG 55 Ca -0.02 0.00 0.45 0.00 -1.26 0.00 0.00 59.98 59.15 3knn h ARG 55 Cb 0.56 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.79 3knn h ARG 55 CO -0.03 0.33 0.94 0.00 0.56 0.00 0.00 179.97 181.76 3knn n ALA 56 N -2.33 1.36 0.05 0.04 0.00 -0.24 0.27 120.51 119.66 3knn n ALA 56 Ca -0.08 0.69 -0.11 0.00 0.00 0.00 0.00 53.44 53.94 3knn n ALA 56 Cb 0.22 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 3knn n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knn h ARG 57 N 0.00 0.09 0.15 0.00 3.08 -1.52 -2.91 114.38 113.27 3knn h ARG 57 Ca 0.79 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.67 3knn h ARG 57 Cb 2.77 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.89 3knn h ARG 57 CO -0.27 0.96 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.60 3knn h TYR 58 N 0.03 -0.18 0.00 3.04 5.03 0.38 0.79 116.97 126.05 3knn h TYR 58 Ca -0.13 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.17 3knn h TYR 58 Cb 1.90 0.06 0.00 0.00 1.55 0.00 0.00 36.73 40.24 3knn h TYR 58 CO 0.02 -0.11 0.31 0.91 -1.32 0.00 0.00 178.16 177.96 3knn n TRP 59 N -2.65 0.34 -0.05 -3.82 7.02 -0.51 0.22 117.44 117.99 3knn n TRP 59 Ca -0.02 0.18 -0.16 0.00 -1.02 0.00 0.00 57.50 56.47 3knn n TRP 59 Cb 0.08 -0.57 -0.14 0.00 -2.42 0.00 0.00 31.31 28.26 3knn n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3knn n LEU 60 N -1.90 2.01 -0.17 -0.99 4.77 -1.07 -2.31 117.00 117.34 3knn n LEU 60 Ca -0.01 0.12 0.03 0.00 -0.03 0.00 0.00 56.01 56.12 3knn n LEU 60 Cb 0.32 -0.57 0.31 0.00 -2.33 0.00 0.00 43.42 41.15 3knn n LEU 60 CO 0.04 0.74 1.22 0.77 -1.33 0.00 0.00 177.39 178.83 3knn h SER 61 N 0.03 0.74 -0.12 -1.43 4.64 0.96 0.64 113.55 119.01 3knn h SER 61 Ca -0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3knn h SER 61 Cb 2.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3knn h SER 61 CO 0.03 0.52 0.00 1.33 -0.87 0.00 0.00 176.83 177.84 3knn n VAL 62 N -4.45 0.16 -2.07 0.95 0.24 0.26 -4.94 118.33 108.47 3knn n VAL 62 Ca 0.08 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3knn n VAL 62 Cb 0.09 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3knn n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knn n GLY 63 N 0.83 -3.37 2.61 7.63 0.00 0.22 -5.06 105.19 108.05 3knn n GLY 63 Ca 0.10 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3knn n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn s ALA 64 N -0.82 0.69 0.05 4.61 0.00 -0.98 -4.83 121.76 120.48 3knn s ALA 64 Ca 0.01 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 3knn s ALA 64 Cb -0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 3knn s ALA 64 CO 0.37 -1.42 1.38 -0.65 0.00 0.00 0.00 175.76 175.44 3knn s GLN 65 N 2.03 4.31 0.35 0.00 -1.52 -1.21 -4.62 119.66 119.00 3knn s GLN 65 Ca 0.05 2.00 0.02 0.00 -1.95 0.00 0.00 55.36 55.48 3knn s GLN 65 Cb -0.16 -3.43 -0.02 0.00 -0.22 0.00 0.00 33.01 29.18 3knn s GLN 65 CO -0.22 -0.49 0.53 -2.14 -0.25 0.00 0.00 175.29 172.72 3knn s PRO 66 N 1.78 3.32 0.50 2.91 0.02 -1.26 -3.02 135.00 139.25 3knn s PRO 66 Ca 0.64 -0.55 -0.23 0.00 0.02 0.00 0.00 61.00 60.88 3knn s PRO 66 Cb -0.33 -2.70 -0.07 0.00 0.02 0.00 0.00 34.50 31.41 3knn s PRO 66 CO 0.28 0.09 1.28 2.41 -0.33 0.00 0.00 177.00 180.73 3knn n THR 67 N -1.76 3.29 -0.17 0.99 -1.04 -0.56 -4.69 114.28 110.34 3knn n THR 67 Ca -0.03 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.45 3knn n THR 67 Cb 0.57 -1.57 0.07 0.00 -1.82 0.00 0.00 70.33 67.58 3knn n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3knn h ASP 68 N 1.59 0.20 -0.17 8.00 3.32 -1.97 0.33 116.42 127.72 3knn h ASP 68 Ca -0.49 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3knn h ASP 68 Cb 1.31 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3knn h ASP 68 CO 0.57 0.14 0.00 1.07 -1.72 0.00 0.00 179.24 179.30 3knn n THR 69 N -5.00 0.64 -0.05 0.35 5.66 -1.26 -3.34 114.28 111.29 3knn n THR 69 Ca 0.06 -0.35 -0.11 0.00 -3.05 0.00 0.00 64.05 60.59 3knn n THR 69 Cb 0.21 -0.31 -0.04 0.00 -1.55 0.00 0.00 70.33 68.64 3knn n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3knn n ALA 70 N 0.15 2.11 -0.36 1.79 0.00 0.55 -4.35 120.51 120.41 3knn n ALA 70 Ca 0.07 -0.48 0.27 0.00 0.00 0.00 0.00 53.44 53.30 3knn n ALA 70 Cb 0.43 0.28 0.53 0.00 0.00 0.00 0.00 19.45 20.69 3knn n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3knn h ARG 71 N -0.47 0.27 0.14 0.00 2.43 -0.53 0.12 114.38 116.33 3knn h ARG 71 Ca -0.24 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3knn h ARG 71 Cb 1.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3knn h ARG 71 CO -0.15 0.18 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.34 3knn h ARG 72 N 0.28 -0.18 -0.04 0.20 2.43 -1.79 0.89 114.38 116.18 3knn h ARG 72 Ca 0.73 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.92 3knn h ARG 72 Cb 1.87 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.46 3knn h ARG 72 CO -0.50 -0.12 0.28 -0.07 -1.51 0.00 0.00 179.97 178.04 3knn h LEU 73 N -0.19 0.00 0.00 3.80 3.38 -1.46 1.11 115.31 121.95 3knn h LEU 73 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 3knn h LEU 73 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3knn h LEU 73 CO 0.03 0.00 -1.35 0.25 0.09 0.00 0.00 178.44 177.46 3knn h LEU 74 N 0.00 0.00 0.01 1.67 6.46 -0.46 -2.64 115.31 120.35 3knn h LEU 74 Ca 0.02 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 3knn h LEU 74 Cb 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3knn h LEU 74 CO -0.00 0.96 -0.20 -0.09 -0.62 0.00 0.00 178.44 178.50 3knn h ARG 75 N 0.00 0.11 -0.66 1.25 2.43 0.85 -2.81 114.38 115.56 3knn h ARG 75 Ca -0.15 -0.14 0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3knn h ARG 75 Cb 1.87 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.42 3knn h ARG 75 CO 0.10 0.93 0.44 0.37 -1.51 0.00 0.00 179.97 180.30 3knn h GLN 76 N -0.64 0.49 0.00 0.20 4.15 -0.01 1.66 115.11 120.96 3knn h GLN 76 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3knn h GLN 76 Cb 1.01 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.59 3knn h GLN 76 CO 0.04 0.33 0.00 0.00 -1.93 0.00 0.00 178.83 177.26 3knn n ALA 77 N -2.50 1.89 -2.52 3.38 0.00 -0.99 -4.96 120.51 114.82 3knn n ALA 77 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 3knn n ALA 77 Cb 0.36 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 3knn n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knn n GLY 78 N 0.50 -4.66 0.00 0.00 0.00 0.56 -4.97 105.19 96.62 3knn n GLY 78 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.12 3knn n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knn n VAL 79 N 1.12 0.00 0.58 1.61 0.31 -1.22 -4.80 118.33 115.94 3knn n VAL 79 Ca -0.21 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.20 3knn n VAL 79 Cb 0.33 1.32 0.08 0.00 -0.91 0.00 0.00 33.84 34.65 3knn n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3knn n PHE 80 N 0.00 0.06 -2.70 3.52 0.99 -1.26 -4.95 117.46 113.12 3knn n PHE 80 Ca 0.00 -0.04 -0.34 0.00 -0.00 0.00 0.00 57.45 57.07 3knn n PHE 80 Cb 0.08 -0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.51 3knn n PHE 80 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3knn s ARG 81 N -1.30 4.12 0.00 -1.08 3.52 -1.26 -5.01 118.95 117.94 3knn s ARG 81 Ca 0.20 1.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 3knn s ARG 81 Cb 0.14 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 3knn s ARG 81 CO 0.20 -0.14 0.02 0.00 -0.81 0.00 0.00 175.30 174.56 3knn n GLN 82 N -0.58 0.93 0.00 5.12 0.00 -1.26 -5.05 117.38 116.53 3knn n GLN 82 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.06 3knn n GLN 82 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 30.24 30.59 3knn n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3knn n GLU 83 N -0.14 0.00 0.00 2.61 -0.58 -1.26 -5.31 120.64 115.97 3knn n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knn n GLU 83 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 3knn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65