#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpt n GLY 2 N 0.00 3.01 3.65 -3.96 0.00 -1.26 -0.62 105.19 106.01 1kpt n GLY 2 Ca 0.00 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.76 1kpt n GLY 2 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1kpt n ILE 3 N 0.00 1.11 -3.73 -0.61 3.06 -1.26 -4.76 119.36 113.18 1kpt n ILE 3 Ca 0.00 -0.28 -0.09 0.00 -2.50 0.00 0.00 62.75 59.88 1kpt n ILE 3 Cb 0.00 -1.33 -0.03 0.00 0.54 0.00 0.00 39.64 38.83 1kpt n ILE 3 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1kpt s ASN 4 N 0.12 -0.33 -0.26 9.51 2.20 -0.53 -5.00 114.94 120.65 1kpt s ASN 4 Ca 0.67 -0.45 0.12 0.00 -0.94 0.00 0.00 52.86 52.26 1kpt s ASN 4 Cb -0.68 0.65 0.56 0.00 -2.00 0.00 0.00 41.25 39.78 1kpt s ASN 4 CO 0.52 -1.17 1.52 0.00 -2.94 0.00 0.00 177.10 175.03 1kpt s ARG 6 N -3.05 3.37 -0.05 0.00 0.52 -1.26 -4.36 118.95 114.12 1kpt s ARG 6 Ca 0.46 1.93 -0.30 0.00 -0.52 0.00 0.00 55.73 57.30 1kpt s ARG 6 Cb 0.39 -2.24 0.11 0.00 0.52 0.00 0.00 34.95 33.73 1kpt s ARG 6 CO 0.06 -0.92 1.33 0.20 0.02 0.00 0.00 175.30 175.99 1kpt s GLY 7 N -1.29 -0.22 0.60 -3.53 0.00 -1.26 -3.43 107.32 98.18 1kpt s GLY 7 Ca 0.70 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.47 1kpt s GLY 7 CO 0.38 4.71 1.25 -0.45 0.00 0.00 0.00 173.10 179.00 1kpt s SER 8 N -3.66 5.06 0.59 1.64 0.15 -1.26 -4.87 113.70 111.34 1kpt s SER 8 Ca 0.27 2.50 0.29 0.00 0.70 0.00 0.00 55.95 59.70 1kpt s SER 8 Cb 0.01 -2.61 1.52 0.00 -1.71 0.00 0.00 66.02 63.23 1kpt s SER 8 CO -0.02 -1.69 1.95 0.77 1.20 0.00 0.00 173.24 175.45 1kpt h SER 9 N 0.90 0.00 -0.03 5.45 4.64 -2.02 0.05 113.55 122.54 1kpt h SER 9 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1kpt h SER 9 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1kpt h SER 9 CO 0.55 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 178.01 1kpt h GLN 10 N 0.00 0.23 -0.63 4.77 1.08 -2.01 -2.27 115.11 116.28 1kpt h GLN 10 Ca 0.18 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.45 1kpt h GLN 10 Cb 1.00 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.31 1kpt h GLN 10 CO -0.00 0.31 0.21 0.00 -0.95 0.00 0.00 178.83 178.40 1kpt h GLY 12 N 0.37 0.00 1.87 0.00 0.00 -1.56 -2.64 103.07 101.11 1kpt h GLY 12 Ca 0.33 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.43 1kpt h GLY 12 CO -0.35 0.00 -1.09 1.41 0.00 0.00 0.00 176.54 176.51 1kpt h LEU 13 N 0.00 0.05 -9.98 3.11 4.07 -1.24 -3.46 115.31 107.86 1kpt h LEU 13 Ca -0.00 -0.06 -0.53 0.00 0.08 0.00 0.00 57.88 57.37 1kpt h LEU 13 Cb 0.34 -0.02 0.10 0.00 1.08 0.00 0.00 40.66 42.16 1kpt h LEU 13 CO 0.00 1.05 0.62 -0.44 -1.08 0.00 0.00 178.44 178.59 1kpt s SER 14 N -6.71 5.98 0.21 -0.43 0.01 -1.00 -5.02 113.70 106.75 1kpt s SER 14 Ca -0.00 2.71 0.05 0.00 1.31 0.00 0.00 55.95 60.01 1kpt s SER 14 Cb 0.09 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1kpt s SER 14 CO 0.83 -1.08 0.28 -0.83 0.41 0.00 0.00 173.24 172.84 1kpt s GLY 15 N -0.79 1.43 0.00 3.44 0.00 -1.26 -5.03 107.32 105.12 1kpt s GLY 15 Ca 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1kpt s GLY 15 CO 0.49 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.96 1kpt n GLY 16 N -1.02 -0.85 3.40 0.20 0.00 -1.26 -4.58 105.19 101.08 1kpt n GLY 16 Ca -0.08 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 1kpt n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kpt s ASN 17 N -2.97 7.05 0.26 1.61 3.84 -1.26 -4.78 114.94 118.69 1kpt s ASN 17 Ca 0.00 -3.02 -0.01 0.00 0.21 0.00 0.00 52.86 50.04 1kpt s ASN 17 Cb 0.00 -2.31 0.34 0.00 -0.55 0.00 0.00 41.25 38.73 1kpt s ASN 17 CO 0.00 -0.61 1.74 -0.07 -2.79 0.00 0.00 177.10 175.37 1kpt h LEU 18 N 8.48 0.70 -0.84 3.21 3.38 -1.75 -2.99 115.31 125.51 1kpt h LEU 18 Ca 0.22 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1kpt h LEU 18 Cb 0.92 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1kpt h LEU 18 CO 1.07 0.82 0.50 -0.03 0.09 0.00 0.00 178.44 180.89 1kpt h MET 19 N 0.66 0.83 -0.59 1.13 4.05 -1.39 -0.45 114.93 119.17 1kpt h MET 19 Ca 0.12 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1kpt h MET 19 Cb 0.53 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1kpt h MET 19 CO 0.03 0.55 0.23 0.28 0.23 0.00 0.00 176.91 178.23 1kpt h VAL 20 N 0.86 1.23 -0.72 -5.77 2.07 -1.77 -0.05 116.25 112.09 1kpt h VAL 20 Ca 0.39 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1kpt h VAL 20 Cb 0.30 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1kpt h VAL 20 CO -0.22 0.28 0.18 0.03 0.02 0.00 0.00 177.57 177.86 1kpt h ARG 21 N 0.82 1.15 -0.38 1.57 3.08 -1.14 0.39 114.38 119.87 1kpt h ARG 21 Ca 0.20 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1kpt h ARG 21 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1kpt h ARG 21 CO -0.02 1.00 -0.16 0.82 -1.07 0.00 0.00 179.97 180.55 1kpt h ILE 22 N 1.09 1.28 -0.41 2.04 2.04 -0.94 -1.64 117.51 120.97 1kpt h ILE 22 Ca 0.23 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1kpt h ILE 22 Cb 0.36 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1kpt h ILE 22 CO 0.00 0.42 0.24 -0.09 0.00 0.00 0.00 178.15 178.72 1kpt h ARG 23 N 0.57 0.47 -0.86 2.37 1.12 -0.71 -2.18 114.38 115.17 1kpt h ARG 23 Ca 0.09 -0.03 0.07 0.00 -1.11 0.00 0.00 59.98 59.00 1kpt h ARG 23 Cb 0.70 -0.11 -0.06 0.00 -0.01 0.00 0.00 29.97 30.49 1kpt h ARG 23 CO 0.05 0.31 0.52 -0.44 -3.11 0.00 0.00 179.97 177.31 1kpt h ASP 24 N 0.49 0.81 -0.04 -3.80 3.32 -0.58 0.18 116.42 116.79 1kpt h ASP 24 Ca 0.16 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1kpt h ASP 24 Cb 0.01 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1kpt h ASP 24 CO -0.08 0.50 0.02 1.56 -1.72 0.00 0.00 179.24 179.53 1kpt h GLN 25 N 0.93 0.05 -0.61 3.56 4.20 -0.93 -1.23 115.11 121.08 1kpt h GLN 25 Ca 0.38 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 1kpt h GLN 25 Cb 0.22 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1kpt h GLN 25 CO -0.19 0.12 0.26 0.00 -0.67 0.00 0.00 178.83 178.35 1kpt h ALA 26 N 0.93 0.79 0.00 3.87 0.00 -0.77 -2.78 119.26 121.30 1kpt h ALA 26 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1kpt h ALA 26 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1kpt h ALA 26 CO -0.00 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 1kpt n GLY 28 N 0.37 -1.17 2.23 0.00 0.00 -0.47 -4.25 105.19 101.89 1kpt n GLY 28 Ca 0.01 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 1kpt n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kpt n ASN 29 N -1.28 0.32 0.00 1.61 5.15 -1.06 -4.95 115.26 115.05 1kpt n ASN 29 Ca 0.09 -2.91 0.10 0.00 -0.60 0.00 0.00 54.58 51.26 1kpt n ASN 29 Cb 0.32 -0.46 0.53 0.00 -0.53 0.00 0.00 39.78 39.64 1kpt n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kpt n GLN 30 N 0.80 0.32 0.16 1.20 6.02 -1.22 -3.24 117.38 121.42 1kpt n GLN 30 Ca 0.22 0.08 0.02 0.00 -0.01 0.00 0.00 57.00 57.32 1kpt n GLN 30 Cb 0.61 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.58 1kpt n GLN 30 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1kpt h GLY 31 N 3.41 0.00 -3.05 1.08 0.00 -1.90 -3.06 103.07 99.55 1kpt h GLY 31 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1kpt h GLY 31 CO 0.00 0.00 0.44 -0.86 0.00 0.00 0.00 176.54 176.12 1kpt s GLN 32 N -3.45 4.26 0.08 4.80 -2.07 -1.20 -4.72 119.66 117.36 1kpt s GLN 32 Ca 0.00 1.62 -0.08 0.00 -1.82 0.00 0.00 55.36 55.09 1kpt s GLN 32 Cb 0.11 -2.71 -0.05 0.00 -1.09 0.00 0.00 33.01 29.27 1kpt s GLN 32 CO 0.73 -0.08 0.36 0.99 -1.32 0.00 0.00 175.29 175.96 1kpt s THR 33 N -1.51 5.17 -0.33 3.63 2.01 -1.26 -0.83 115.64 122.52 1kpt s THR 33 Ca 0.55 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.74 1kpt s THR 33 Cb -0.25 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1kpt s THR 33 CO 0.32 0.25 0.12 0.26 -0.69 0.00 0.00 174.62 174.88 1kpt s TRP 34 N -1.44 3.20 0.25 4.92 0.52 0.15 -4.92 118.94 121.63 1kpt s TRP 34 Ca 0.33 -1.09 0.06 0.00 0.02 0.00 0.00 56.10 55.43 1kpt s TRP 34 Cb -0.13 -2.31 -0.03 0.00 -1.15 0.00 0.00 33.47 29.85 1kpt s TRP 34 CO 0.19 -0.63 0.30 0.00 0.02 0.00 0.00 176.95 176.83 1kpt n PRO 36 N -1.33 1.20 0.00 0.00 -0.02 -1.26 -1.86 135.00 131.73 1kpt n PRO 36 Ca -0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1kpt n PRO 36 Cb 0.57 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1kpt n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kpt n GLY 37 N 2.72 2.61 3.66 -1.23 0.00 0.05 -4.94 105.19 108.05 1kpt n GLY 37 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1kpt n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kpt s GLU 38 N -0.29 4.24 -1.22 1.61 2.02 -0.77 -4.93 118.70 119.36 1kpt s GLU 38 Ca 0.00 1.52 -0.14 0.00 0.02 0.00 0.00 54.97 56.37 1kpt s GLU 38 Cb 0.00 -3.71 0.17 0.00 0.10 0.00 0.00 34.13 30.69 1kpt s GLU 38 CO 0.00 -0.67 1.46 0.54 0.02 0.00 0.00 175.26 176.61 1kpt n ARG 39 N 6.48 3.37 0.23 1.61 1.74 -1.26 -4.36 116.66 124.47 1kpt n ARG 39 Ca 0.13 -3.82 0.12 0.00 -0.77 0.00 0.00 57.85 53.51 1kpt n ARG 39 Cb 0.45 -3.05 0.44 0.00 -1.02 0.00 0.00 32.46 29.28 1kpt n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kpt h ARG 40 N 7.10 0.00 -4.03 5.56 2.47 -1.91 -3.44 114.38 120.13 1kpt h ARG 40 Ca 0.33 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.76 1kpt h ARG 40 Cb 0.86 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.90 1kpt h ARG 40 CO 1.27 0.12 -0.74 0.00 0.56 0.00 0.00 179.97 181.18 1kpt s ALA 41 N -3.50 0.25 -0.11 0.04 0.00 -1.26 -4.91 121.76 112.27 1kpt s ALA 41 Ca 0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 1kpt s ALA 41 Cb 0.08 -0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.25 1kpt s ALA 41 CO 0.62 0.05 1.01 -1.59 0.00 0.00 0.00 175.76 175.85 1kpt s LYS 42 N 0.01 0.60 -0.21 0.00 -2.85 -1.26 -1.20 119.74 114.83 1kpt s LYS 42 Ca 0.00 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.87 1kpt s LYS 42 Cb -0.02 0.28 0.05 0.00 -2.06 0.00 0.00 37.83 36.08 1kpt s LYS 42 CO -0.00 -0.24 -0.08 0.08 0.10 0.00 0.00 175.35 175.21 1kpt s VAL 43 N -2.27 1.53 0.28 1.79 1.01 -0.55 -4.97 120.40 117.23 1kpt s VAL 43 Ca 0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1kpt s VAL 43 Cb -0.01 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 1kpt s VAL 43 CO -0.05 0.05 0.65 0.00 0.00 0.00 0.00 175.10 175.75 1kpt n GLY 45 N -0.27 4.59 3.44 0.00 0.00 0.54 -4.96 105.19 108.53 1kpt n GLY 45 Ca 0.02 -1.88 -0.44 0.00 0.00 0.00 0.00 46.02 43.72 1kpt n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kpt s THR 46 N 2.07 4.84 0.00 2.61 2.01 -1.26 -4.12 115.64 121.79 1kpt s THR 46 Ca 0.00 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1kpt s THR 46 Cb 0.00 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1kpt s THR 46 CO 0.00 -0.85 0.00 0.61 -0.69 0.00 0.00 174.62 173.69 1kpt n GLY 47 N 5.18 0.60 3.78 4.40 0.00 -1.26 -5.00 105.19 112.88 1kpt n GLY 47 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1kpt n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kpt s ASN 48 N -2.07 0.05 0.17 1.61 2.20 -1.26 -3.35 114.94 112.30 1kpt s ASN 48 Ca 0.00 -1.10 -0.24 0.00 -0.94 0.00 0.00 52.86 50.58 1kpt s ASN 48 Cb 0.00 0.81 0.06 0.00 -2.00 0.00 0.00 41.25 40.12 1kpt s ASN 48 CO 0.00 -1.60 0.84 -0.94 -2.94 0.00 0.00 177.10 172.46 1kpt s SER 49 N -3.06 -0.27 -0.31 3.54 1.04 -0.54 -0.34 113.70 113.76 1kpt s SER 49 Ca 0.16 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.16 1kpt s SER 49 Cb -0.05 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1kpt s SER 49 CO 0.12 -1.01 0.08 -0.63 0.98 0.00 0.00 173.24 172.77 1kpt s ILE 50 N -3.51 3.78 0.17 -1.02 -1.09 -0.60 -0.44 121.20 118.49 1kpt s ILE 50 Ca 0.10 -0.93 0.10 0.00 -2.23 0.00 0.00 60.65 57.70 1kpt s ILE 50 Cb -0.03 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1kpt s ILE 50 CO 0.01 -0.03 -0.23 -0.44 -1.23 0.00 0.00 174.94 173.02 1kpt s SER 51 N 1.44 3.16 -0.07 3.58 0.01 -0.59 -1.48 113.70 119.74 1kpt s SER 51 Ca 0.00 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.44 1kpt s SER 51 Cb -0.18 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 1kpt s SER 51 CO 0.02 0.09 -0.06 0.00 0.41 0.00 0.00 173.24 173.70 1kpt s ALA 52 N -1.60 3.00 -0.13 1.44 0.00 -0.34 -1.25 121.76 122.88 1kpt s ALA 52 Ca 0.17 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 1kpt s ALA 52 Cb -0.08 -1.25 0.10 0.00 0.00 0.00 0.00 23.12 21.89 1kpt s ALA 52 CO 0.08 0.56 0.86 1.52 0.00 0.00 0.00 175.76 178.78 1kpt s TYR 53 N -0.78 -0.51 0.27 0.00 1.13 0.08 -3.16 117.35 114.38 1kpt s TYR 53 Ca 0.12 0.92 -0.28 0.00 -1.41 0.00 0.00 57.07 56.42 1kpt s TYR 53 Cb -0.11 0.42 -0.09 0.00 -1.10 0.00 0.00 41.96 41.08 1kpt s TYR 53 CO 0.02 -0.44 0.93 0.08 -2.51 0.00 0.00 175.55 173.62 1kpt s VAL 54 N -0.99 4.15 0.20 -3.49 1.01 -1.26 -1.06 120.40 118.96 1kpt s VAL 54 Ca -0.05 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 1kpt s VAL 54 Cb -0.01 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1kpt s VAL 54 CO 0.04 0.35 0.48 0.00 0.00 0.00 0.00 175.10 175.98 1kpt s GLN 55 N -1.54 1.36 -0.68 2.72 -2.07 -0.63 -0.77 119.66 118.06 1kpt s GLN 55 Ca 0.44 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 1kpt s GLN 55 Cb -0.23 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1kpt s GLN 55 CO 0.28 -0.57 0.00 0.43 -1.32 0.00 0.00 175.29 174.12 1kpt n SER 56 N -0.32 -3.60 -3.59 12.60 7.64 -1.26 -1.19 113.62 123.90 1kpt n SER 56 Ca -0.09 0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 1kpt n SER 56 Cb 0.62 -1.88 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 1kpt n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1kpt s THR 57 N -2.26 0.00 -0.18 0.44 -1.32 -1.26 -2.44 115.64 108.62 1kpt s THR 57 Ca 0.00 -0.34 0.22 0.00 -1.21 0.00 0.00 61.69 60.36 1kpt s THR 57 Cb 0.00 -1.37 -0.11 0.00 -1.51 0.00 0.00 72.50 69.51 1kpt s THR 57 CO 0.00 0.00 0.86 0.59 -2.21 0.00 0.00 174.62 173.86 1kpt n ASN 58 N -0.39 0.57 -4.80 8.08 3.02 -1.26 -4.78 115.26 115.70 1kpt n ASN 58 Ca -0.11 0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.34 1kpt n ASN 58 Cb 0.62 0.95 0.08 0.00 -0.61 0.00 0.00 39.78 40.82 1kpt n ASN 58 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1kpt s ASN 59 N -5.04 4.83 0.19 6.41 0.01 -1.26 -4.81 114.94 115.27 1kpt s ASN 59 Ca -0.03 1.56 0.09 0.00 -0.71 0.00 0.00 52.86 53.77 1kpt s ASN 59 Cb 0.11 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1kpt s ASN 59 CO 0.83 -1.79 -0.07 0.00 -1.51 0.00 0.00 177.10 174.56 1kpt s ILE 61 N -1.78 1.94 0.67 0.00 -4.36 0.59 -4.94 121.20 113.32 1kpt s ILE 61 Ca 0.26 -2.25 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 1kpt s ILE 61 Cb -0.09 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 1kpt s ILE 61 CO 0.16 -0.49 1.05 -0.94 0.24 0.00 0.00 174.94 174.96 1kpt s SER 62 N -3.40 5.62 0.44 4.36 1.04 -1.26 0.32 113.70 120.82 1kpt s SER 62 Ca 0.26 1.57 0.16 0.00 0.48 0.00 0.00 55.95 58.42 1kpt s SER 62 Cb -0.01 -2.49 0.98 0.00 0.10 0.00 0.00 66.02 64.60 1kpt s SER 62 CO 0.10 -1.28 1.96 1.23 0.98 0.00 0.00 173.24 176.23 1kpt h GLY 63 N -0.56 0.00 1.01 7.32 0.00 -0.88 -1.32 103.07 108.64 1kpt h GLY 63 Ca -0.44 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1kpt h GLY 63 CO 0.58 0.00 0.20 -0.84 0.00 0.00 0.00 176.54 176.48 1kpt h THR 64 N 0.00 1.24 -0.39 4.70 2.02 -1.82 -1.71 112.91 116.95 1kpt h THR 64 Ca -0.00 -0.82 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 1kpt h THR 64 Cb 0.41 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1kpt h THR 64 CO 0.03 0.31 -0.30 -0.33 0.37 0.00 0.00 175.52 175.60 1kpt h GLU 65 N 0.87 0.85 -0.89 6.66 5.08 -1.64 -1.99 114.58 123.52 1kpt h GLU 65 Ca 0.20 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1kpt h GLU 65 Cb 0.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1kpt h GLU 65 CO -0.01 1.04 0.51 0.00 -1.00 0.00 0.00 179.01 179.55 1kpt h ALA 66 N 0.93 1.22 -0.56 3.43 0.00 -1.17 -0.87 119.26 122.24 1kpt h ALA 66 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1kpt h ALA 66 Cb 0.86 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1kpt h ALA 66 CO 0.08 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.28 1kpt h ARG 68 N 0.76 0.04 -0.71 0.00 2.43 -0.76 -1.17 114.38 114.98 1kpt h ARG 68 Ca 0.20 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1kpt h ARG 68 Cb 0.04 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1kpt h ARG 68 CO -0.03 0.14 0.38 0.45 -1.51 0.00 0.00 179.97 179.40 1kpt h HIS 69 N -0.07 0.98 -0.13 2.20 3.86 -0.99 -0.73 115.15 120.27 1kpt h HIS 69 Ca 0.01 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1kpt h HIS 69 Cb 0.11 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1kpt h HIS 69 CO -0.04 0.69 -0.23 -0.07 0.86 0.00 0.00 177.93 179.14 1kpt h LEU 70 N 0.97 0.23 -0.58 2.43 3.38 -1.06 -1.76 115.31 118.91 1kpt h LEU 70 Ca 0.25 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 1kpt h LEU 70 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1kpt h LEU 70 CO -0.04 0.47 -0.18 0.74 0.09 0.00 0.00 178.44 179.52 1kpt h THR 71 N 0.21 1.27 -0.73 0.22 2.02 -0.59 -1.80 112.91 113.52 1kpt h THR 71 Ca 0.04 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 65.92 1kpt h THR 71 Cb 0.53 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1kpt h THR 71 CO 0.04 0.46 0.46 0.78 0.37 0.00 0.00 175.52 177.62 1kpt h ASN 72 N 0.82 0.74 -0.61 4.18 -0.26 -0.45 0.18 115.58 120.18 1kpt h ASN 72 Ca 0.11 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 1kpt h ASN 72 Cb 0.74 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 1kpt h ASN 72 CO 0.06 0.51 0.17 -0.07 -1.06 0.00 0.00 177.43 177.04 1kpt h LEU 73 N 0.88 0.90 -0.35 1.61 3.38 -1.09 -0.91 115.31 119.74 1kpt h LEU 73 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1kpt h LEU 73 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1kpt h LEU 73 CO -0.12 0.88 0.19 0.58 0.09 0.00 0.00 178.44 180.07 1kpt h VAL 74 N 0.88 1.14 0.00 1.22 2.07 -0.78 -2.57 116.25 118.21 1kpt h VAL 74 Ca 0.19 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1kpt h VAL 74 Cb 0.32 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1kpt h VAL 74 CO -0.00 0.14 -0.08 0.78 0.02 0.00 0.00 177.57 178.43 1kpt h ASN 75 N 0.44 0.00 1.52 0.57 2.35 -0.75 -1.95 115.58 117.77 1kpt h ASN 75 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1kpt h ASN 75 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1kpt h ASN 75 CO -0.02 0.08 0.00 -0.74 -1.65 0.00 0.00 177.43 175.10 1kpt h HIS 76 N 0.00 0.00 0.00 1.19 2.76 -0.80 -3.47 115.15 114.83 1kpt h HIS 76 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1kpt h HIS 76 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1kpt h HIS 76 CO 0.00 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.04 1kpt n GLY 77 N 0.96 0.83 3.60 5.26 0.00 -0.73 -5.05 105.19 110.05 1kpt n GLY 77 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1kpt n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kpt h ARG 79 N 10.50 0.53 0.00 0.00 2.43 -1.93 -3.42 114.38 122.50 1kpt h ARG 79 Ca -0.27 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 1kpt h ARG 79 Cb 1.10 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1kpt h ARG 79 CO 1.10 1.05 -0.57 0.28 -1.51 0.00 0.00 179.97 180.31 1kpt n VAL 80 N -3.88 0.00 -4.23 0.20 0.31 -1.26 -1.27 118.33 108.20 1kpt n VAL 80 Ca -0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1kpt n VAL 80 Cb 0.71 -0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 32.92 1kpt n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kpt n GLY 82 N -0.21 1.08 2.99 0.00 0.00 -0.75 -4.50 105.19 103.81 1kpt n GLY 82 Ca -0.08 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1kpt n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kpt s SER 83 N 0.00 0.18 -0.09 1.61 0.01 0.19 -1.20 113.70 114.40 1kpt s SER 83 Ca 0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1kpt s SER 83 Cb 0.00 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.35 1kpt s SER 83 CO 0.00 -0.28 -0.14 -0.62 0.41 0.00 0.00 173.24 172.60 1kpt s ASP 84 N -1.30 2.22 0.48 2.44 2.15 -0.53 -1.46 116.67 120.67 1kpt s ASP 84 Ca -0.14 -0.38 -0.24 0.00 0.43 0.00 0.00 52.55 52.22 1kpt s ASP 84 Cb -0.09 -1.00 -0.07 0.00 -0.30 0.00 0.00 42.92 41.47 1kpt s ASP 84 CO -0.01 0.03 1.33 -2.16 -0.17 0.00 0.00 175.17 174.19 1kpt s PRO 85 N 0.85 3.54 0.09 4.34 0.04 -1.26 -0.94 135.00 141.65 1kpt s PRO 85 Ca -0.10 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 1kpt s PRO 85 Cb -0.15 -2.47 -0.25 0.00 0.04 0.00 0.00 34.50 31.67 1kpt s PRO 85 CO 0.01 -0.85 1.18 -0.07 0.04 0.00 0.00 177.00 177.31 1kpt h LEU 86 N 2.00 0.40 -9.49 -3.56 3.38 -1.43 -3.45 115.31 103.16 1kpt h LEU 86 Ca -0.50 -0.41 -0.66 0.00 0.09 0.00 0.00 57.88 56.39 1kpt h LEU 86 Cb 1.27 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 1kpt h LEU 86 CO 0.60 1.30 -0.60 -0.31 0.09 0.00 0.00 178.44 179.52 1kpt s TYR 87 N -2.75 3.22 0.27 1.13 2.02 -1.26 -5.06 117.35 114.91 1kpt s TYR 87 Ca -0.04 0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.54 1kpt s TYR 87 Cb 0.08 -1.72 -0.14 0.00 -0.40 0.00 0.00 41.96 39.78 1kpt s TYR 87 CO 0.88 0.52 1.13 0.00 -1.57 0.00 0.00 175.55 176.51 1kpt n ALA 88 N 1.29 0.11 -3.18 3.71 0.00 -1.26 -2.34 120.51 118.83 1kpt n ALA 88 Ca -0.14 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.53 1kpt n ALA 88 Cb 0.53 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 1kpt n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kpt n GLY 89 N 1.41 -0.47 3.69 0.00 0.00 -1.26 -4.91 105.19 103.64 1kpt n GLY 89 Ca 0.10 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1kpt n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kpt s ASN 90 N -2.48 4.48 0.28 1.61 0.01 -0.99 -5.12 114.94 112.73 1kpt s ASN 90 Ca 0.30 -0.84 -0.18 0.00 -0.71 0.00 0.00 52.86 51.42 1kpt s ASN 90 Cb -0.17 -0.67 -0.09 0.00 0.41 0.00 0.00 41.25 40.74 1kpt s ASN 90 CO 0.36 -0.25 0.75 -0.62 -1.51 0.00 0.00 177.10 175.84 1kpt s ASP 91 N -3.78 6.94 0.50 -1.22 2.15 -1.26 -4.63 116.67 115.37 1kpt s ASP 91 Ca 0.36 1.40 0.26 0.00 0.43 0.00 0.00 52.55 55.00 1kpt s ASP 91 Cb -0.02 -2.41 1.42 0.00 -0.30 0.00 0.00 42.92 41.61 1kpt s ASP 91 CO 0.21 -0.10 1.77 -0.37 -0.17 0.00 0.00 175.17 176.52 1kpt h VAL 92 N 2.35 0.00 -0.04 1.11 -1.51 -1.13 -0.68 116.25 116.36 1kpt h VAL 92 Ca -0.48 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.00 1kpt h VAL 92 Cb 1.18 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1kpt h VAL 92 CO 0.65 0.00 0.05 0.77 -1.23 0.00 0.00 177.57 177.81 1kpt h SER 93 N 0.00 0.00 -0.58 4.19 4.64 -1.91 -1.27 113.55 118.62 1kpt h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kpt h SER 93 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1kpt h SER 93 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1kpt n ARG 94 N -3.80 3.53 0.00 4.77 3.00 -0.26 -4.85 116.66 119.05 1kpt n ARG 94 Ca -0.02 -2.59 0.00 0.00 -0.01 0.00 0.00 57.85 55.23 1kpt n ARG 94 Cb 0.13 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 30.74 1kpt n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kpt n GLY 95 N 1.04 4.12 3.30 -0.13 0.00 -0.48 -4.72 105.19 108.33 1kpt n GLY 95 Ca 0.23 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1kpt n GLY 95 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kpt s GLN 96 N -5.04 0.92 -0.25 1.61 -2.07 -0.33 -1.06 119.66 113.44 1kpt s GLN 96 Ca 0.00 -0.50 -0.08 0.00 -1.82 0.00 0.00 55.36 52.97 1kpt s GLN 96 Cb 0.00 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1kpt s GLN 96 CO 0.00 -0.32 0.09 -1.17 -1.32 0.00 0.00 175.29 172.56 1kpt s LEU 97 N -2.23 3.52 -0.02 2.60 0.20 -0.12 -1.60 118.68 121.04 1kpt s LEU 97 Ca -0.03 -0.18 0.04 0.00 0.69 0.00 0.00 54.13 54.66 1kpt s LEU 97 Cb 0.00 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 1kpt s LEU 97 CO -0.05 -0.03 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.96 1kpt s THR 98 N 1.63 3.17 -0.19 3.68 2.01 -0.22 -1.45 115.64 124.26 1kpt s THR 98 Ca 0.06 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1kpt s THR 98 Cb -0.15 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1kpt s THR 98 CO 0.05 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1kpt s VAL 99 N -0.84 1.90 0.17 3.82 1.01 -0.34 -0.74 120.40 125.37 1kpt s VAL 99 Ca 0.14 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1kpt s VAL 99 Cb -0.11 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1kpt s VAL 99 CO 0.03 0.33 0.40 0.21 0.00 0.00 0.00 175.10 176.08 1kpt s ASN 100 N 1.31 -0.12 0.43 3.32 2.47 -0.38 -1.80 114.94 120.16 1kpt s ASN 100 Ca 0.01 -0.61 -0.25 0.00 0.42 0.00 0.00 52.86 52.42 1kpt s ASN 100 Cb -0.15 0.50 -0.08 0.00 -1.45 0.00 0.00 41.25 40.07 1kpt s ASN 100 CO -0.10 -0.95 1.33 -0.47 -3.72 0.00 0.00 177.10 173.18 1kpt s TYR 101 N -3.90 2.71 0.00 0.43 5.04 -1.26 -1.54 117.35 118.83 1kpt s TYR 101 Ca 0.11 1.38 0.01 0.00 -2.44 0.00 0.00 57.07 56.13 1kpt s TYR 101 Cb 0.01 -3.72 -0.00 0.00 0.35 0.00 0.00 41.96 38.60 1kpt s TYR 101 CO -0.03 -2.29 -0.03 0.08 -1.34 0.00 0.00 175.55 171.94 1kpt s VAL 102 N -1.26 0.25 -0.05 3.14 1.01 0.41 -4.90 120.40 118.99 1kpt s VAL 102 Ca 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1kpt s VAL 102 Cb -0.39 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1kpt s VAL 102 CO 0.50 0.03 1.46 0.59 0.00 0.00 0.00 175.10 177.68 1kpt n ASN 103 N 2.89 4.09 -3.48 3.32 4.13 -1.26 -1.46 115.26 123.49 1kpt n ASN 103 Ca -0.13 -2.32 -0.12 0.00 1.68 0.00 0.00 54.58 53.69 1kpt n ASN 103 Cb 0.59 -0.77 -0.03 0.00 -1.54 0.00 0.00 39.78 38.02 1kpt n ASN 103 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1kpt s SER 104 N 1.11 -0.51 0.00 6.41 0.15 -1.21 -4.62 113.70 115.03 1kpt s SER 104 Ca 0.06 0.20 0.19 0.00 0.70 0.00 0.00 55.95 57.11 1kpt s SER 104 Cb 0.05 0.49 0.15 0.00 -1.71 0.00 0.00 66.02 65.00 1kpt s SER 104 CO 0.01 -0.72 1.11 0.00 1.20 0.00 0.00 173.24 174.83