#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktf s PRO 4 N 0.00 3.69 -0.04 0.00 0.04 -1.26 -4.95 135.00 132.47 3ktf s PRO 4 Ca 0.00 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 3ktf s PRO 4 Cb 0.00 -2.46 -0.17 0.00 0.04 0.00 0.00 34.50 31.91 3ktf s PRO 4 CO 0.00 -0.66 0.98 0.82 0.04 0.00 0.00 177.00 178.17 3ktf h ILE 5 N 1.93 0.91 -3.24 0.56 2.04 -1.89 -3.45 117.51 114.36 3ktf h ILE 5 Ca -0.50 -1.07 -0.57 0.00 1.00 0.00 0.00 64.86 63.72 3ktf h ILE 5 Cb 1.26 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 3ktf h ILE 5 CO 0.60 0.22 -0.05 -0.76 0.00 0.00 0.00 178.15 178.16 3ktf s LEU 6 N -9.08 4.49 -0.17 1.44 1.43 -1.26 -3.15 118.68 112.38 3ktf s LEU 6 Ca -0.13 1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 3ktf s LEU 6 Cb 0.01 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 3ktf s LEU 6 CO 0.51 0.25 -0.09 -0.54 0.23 0.00 0.00 176.35 176.72 3ktf s LYS 7 N -1.26 3.42 -1.09 1.70 -0.14 -1.26 -4.58 119.74 116.53 3ktf s LYS 7 Ca 0.30 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 3ktf s LYS 7 Cb -0.19 -2.81 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 3ktf s LYS 7 CO 0.19 0.06 0.00 -0.25 -0.76 0.00 0.00 175.35 174.58 3ktf n ASP 8 N 4.02 -4.01 -4.70 2.83 8.00 -1.26 -4.98 116.55 116.46 3ktf n ASP 8 Ca -0.18 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.05 3ktf n ASP 8 Cb 0.52 -2.96 -0.07 0.00 -0.02 0.00 0.00 41.12 38.59 3ktf n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ktf s VAL 9 N -2.53 5.23 -0.32 2.53 1.01 -1.26 -4.92 120.40 120.14 3ktf s VAL 9 Ca 0.00 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3ktf s VAL 9 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 3ktf s VAL 9 CO 0.00 0.30 0.03 -0.69 0.00 0.00 0.00 175.10 174.74 3ktf s VAL 10 N 0.95 2.86 0.08 2.92 1.01 -1.26 -1.07 120.40 125.89 3ktf s VAL 10 Ca 0.19 -1.66 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3ktf s VAL 10 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3ktf s VAL 10 CO 0.07 -0.27 0.22 0.00 0.00 0.00 0.00 175.10 175.12 3ktf s ALA 11 N 1.17 3.98 -0.05 5.51 0.00 0.12 0.13 121.76 132.62 3ktf s ALA 11 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.11 3ktf s ALA 11 Cb -0.20 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 3ktf s ALA 11 CO -0.03 0.77 -0.19 -0.47 0.00 0.00 0.00 175.76 175.84 3ktf s TYR 12 N -1.55 1.91 -0.13 0.00 5.04 0.02 -0.54 117.35 122.10 3ktf s TYR 12 Ca 0.35 -0.59 0.01 0.00 -2.44 0.00 0.00 57.07 54.40 3ktf s TYR 12 Cb -0.13 -1.28 -0.00 0.00 0.35 0.00 0.00 41.96 40.90 3ktf s TYR 12 CO 0.28 -0.21 -0.18 0.08 -1.34 0.00 0.00 175.55 174.18 3ktf s VAL 13 N 0.08 2.53 -0.37 3.14 1.01 -1.26 -1.40 120.40 124.12 3ktf s VAL 13 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3ktf s VAL 13 Cb -0.13 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.37 3ktf s VAL 13 CO 0.03 0.53 0.27 -0.70 0.00 0.00 0.00 175.10 175.24 3ktf s GLU 14 N 0.56 0.66 -0.15 2.72 2.12 0.18 -4.86 118.70 119.92 3ktf s GLU 14 Ca -0.11 -1.49 0.01 0.00 0.36 0.00 0.00 54.97 53.74 3ktf s GLU 14 Cb -0.16 -1.25 0.02 0.00 0.26 0.00 0.00 34.13 32.99 3ktf s GLU 14 CO 0.04 -1.26 -0.18 0.08 -0.54 0.00 0.00 175.26 173.40 3ktf s VAL 15 N 0.83 1.82 0.17 3.70 1.01 -1.26 -1.21 120.40 125.46 3ktf s VAL 15 Ca 0.22 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3ktf s VAL 15 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3ktf s VAL 15 CO -0.05 0.50 -0.14 0.26 0.00 0.00 0.00 175.10 175.67 3ktf s TRP 16 N 1.19 1.59 0.81 5.22 0.52 -0.37 -0.73 118.94 127.17 3ktf s TRP 16 Ca 0.00 -0.59 -0.11 0.00 0.02 0.00 0.00 56.10 55.42 3ktf s TRP 16 Cb -0.14 -0.77 0.09 0.00 -1.15 0.00 0.00 33.47 31.50 3ktf s TRP 16 CO -0.08 0.27 1.13 -1.54 0.02 0.00 0.00 176.95 176.74 3ktf s SER 17 N -3.06 3.91 0.45 2.95 1.04 0.41 -4.61 113.70 114.78 3ktf s SER 17 Ca 0.18 2.03 0.31 0.00 0.48 0.00 0.00 55.95 58.95 3ktf s SER 17 Cb -0.01 -2.55 1.40 0.00 0.10 0.00 0.00 66.02 64.96 3ktf s SER 17 CO 0.05 -2.44 1.92 0.77 0.98 0.00 0.00 173.24 174.52 3ktf h SER 18 N -1.25 0.00 -0.52 7.02 4.64 -1.92 -1.17 113.55 120.35 3ktf h SER 18 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ktf h SER 18 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ktf h SER 18 CO 0.48 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.98 3ktf n ASN 19 N -2.70 3.11 0.00 4.97 0.23 -1.26 -4.96 115.26 114.66 3ktf n ASN 19 Ca 0.00 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 3ktf n ASN 19 Cb 0.20 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 3ktf n ASN 19 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ktf n GLY 20 N 1.44 1.03 0.18 4.83 0.00 -0.44 -4.86 105.19 107.36 3ktf n GLY 20 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3ktf n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ktf h THR 21 N 0.00 0.26 -3.13 2.61 1.35 -1.93 -3.44 112.91 108.63 3ktf h THR 21 Ca 0.00 -1.38 -0.64 0.00 -0.55 0.00 0.00 66.41 63.84 3ktf h THR 21 Cb 0.00 2.05 -0.35 0.00 -1.73 0.00 0.00 68.15 68.12 3ktf h THR 21 CO 0.00 0.15 -0.85 -0.70 -0.25 0.00 0.00 175.52 173.87 3ktf s GLU 22 N -3.15 2.66 -0.16 4.72 2.56 -1.26 -5.03 118.70 119.04 3ktf s GLU 22 Ca 0.05 -0.71 -0.16 0.00 0.00 0.00 0.00 54.97 54.15 3ktf s GLU 22 Cb 0.06 -2.30 -0.04 0.00 2.00 0.00 0.00 34.13 33.85 3ktf s GLU 22 CO 0.71 -0.17 0.41 1.21 -0.56 0.00 0.00 175.26 176.86 3ktf s ASN 23 N 1.24 6.54 -0.16 -1.70 3.84 -1.26 -0.45 114.94 122.99 3ktf s ASN 23 Ca 0.02 0.63 0.16 0.00 0.21 0.00 0.00 52.86 53.88 3ktf s ASN 23 Cb -0.14 -2.24 0.52 0.00 -0.55 0.00 0.00 41.25 38.84 3ktf s ASN 23 CO -0.09 -0.01 1.42 -1.22 -2.79 0.00 0.00 177.10 174.41 3ktf n TYR 24 N 3.97 0.95 0.24 0.43 4.01 0.09 -4.74 117.16 122.11 3ktf n TYR 24 Ca -0.08 -0.84 0.09 0.00 -0.16 0.00 0.00 57.90 56.91 3ktf n TYR 24 Cb 0.51 -0.30 0.61 0.00 -0.31 0.00 0.00 39.34 39.86 3ktf n TYR 24 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3ktf h SER 25 N 1.93 0.00 -0.32 7.72 0.02 -1.89 -2.53 113.55 118.48 3ktf h SER 25 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3ktf h SER 25 Cb 1.40 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.87 3ktf h SER 25 CO 0.21 0.17 -0.13 0.50 -1.14 0.00 0.00 176.83 176.44 3ktf h LYS 26 N 0.00 -0.06 -0.71 3.45 3.64 -1.94 0.20 116.57 121.14 3ktf h LYS 26 Ca -0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3ktf h LYS 26 Cb 0.36 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 3ktf h LYS 26 CO 0.02 -0.04 0.39 1.15 -2.27 0.00 0.00 179.45 178.70 3ktf h THR 27 N -0.07 0.95 0.05 1.00 2.02 -1.83 -1.97 112.91 113.06 3ktf h THR 27 Ca 0.16 -0.24 -0.23 0.00 0.77 0.00 0.00 66.41 66.87 3ktf h THR 27 Cb 0.31 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3ktf h THR 27 CO -0.37 0.13 -1.05 -0.26 0.37 0.00 0.00 175.52 174.34 3ktf h PHE 28 N 0.71 0.26 -0.29 3.16 0.04 -1.33 -2.89 116.94 116.60 3ktf h PHE 28 Ca 0.33 -0.17 0.05 0.00 2.80 0.00 0.00 57.97 60.97 3ktf h PHE 28 Cb 0.24 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 3ktf h PHE 28 CO -0.08 1.09 0.02 1.15 -0.60 0.00 0.00 178.31 179.90 3ktf h THR 29 N 0.05 0.81 -0.43 -1.55 2.02 -0.38 -0.50 112.91 112.94 3ktf h THR 29 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3ktf h THR 29 Cb 1.77 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3ktf h THR 29 CO 0.16 0.02 0.28 0.74 0.37 0.00 0.00 175.52 177.09 3ktf h THR 30 N 0.11 1.11 -0.60 3.16 2.02 -1.31 -1.26 112.91 116.15 3ktf h THR 30 Ca 0.14 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.15 3ktf h THR 30 Cb 0.17 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3ktf h THR 30 CO -0.22 0.11 0.33 1.56 0.37 0.00 0.00 175.52 177.67 3ktf h GLN 31 N 0.58 0.61 -0.48 6.66 4.20 -1.29 0.47 115.11 125.86 3ktf h GLN 31 Ca 0.16 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3ktf h GLN 31 Cb -0.06 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3ktf h GLN 31 CO -0.03 0.40 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.41 3ktf h LEU 32 N 0.62 0.87 -0.66 1.46 3.38 -0.59 -2.67 115.31 117.73 3ktf h LEU 32 Ca 0.26 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3ktf h LEU 32 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3ktf h LEU 32 CO -0.16 1.00 0.26 0.58 0.09 0.00 0.00 178.44 180.21 3ktf h VAL 33 N 0.73 1.24 0.00 1.22 2.07 -1.00 -1.25 116.25 119.26 3ktf h VAL 33 Ca 0.13 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3ktf h VAL 33 Cb 0.58 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3ktf h VAL 33 CO 0.03 0.30 0.00 0.47 0.02 0.00 0.00 177.57 178.39 3ktf n ASP 34 N -4.40 0.40 0.00 0.57 8.00 0.14 -4.12 116.55 117.14 3ktf n ASP 34 Ca 0.05 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3ktf n ASP 34 Cb 0.17 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3ktf n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktf n GLY 36 N 1.54 -0.16 3.83 0.44 0.00 -1.01 -4.88 105.19 104.95 3ktf n GLY 36 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ktf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktf s ALA 37 N -0.11 2.92 0.11 4.61 0.00 -0.50 -4.82 121.76 123.97 3ktf s ALA 37 Ca 0.00 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 3ktf s ALA 37 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 3ktf s ALA 37 CO 0.00 -0.55 0.57 0.15 0.00 0.00 0.00 175.76 175.93 3ktf s LYS 38 N -4.20 4.12 -0.13 0.00 1.02 -0.23 -4.31 119.74 116.01 3ktf s LYS 38 Ca 0.60 0.65 0.03 0.00 0.02 0.00 0.00 55.97 57.28 3ktf s LYS 38 Cb -0.13 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 3ktf s LYS 38 CO 0.36 0.57 -0.21 0.08 -0.92 0.00 0.00 175.35 175.23 3ktf s VAL 39 N -1.26 2.21 -0.10 3.17 1.01 -1.26 0.13 120.40 124.30 3ktf s VAL 39 Ca 0.33 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 3ktf s VAL 39 Cb -0.18 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3ktf s VAL 39 CO 0.19 0.55 0.28 -0.55 0.00 0.00 0.00 175.10 175.57 3ktf s SER 40 N 0.59 6.53 0.35 3.32 0.15 0.30 -4.92 113.70 120.02 3ktf s SER 40 Ca -0.12 0.62 0.08 0.00 0.70 0.00 0.00 55.95 57.24 3ktf s SER 40 Cb -0.17 -2.17 0.65 0.00 -1.71 0.00 0.00 66.02 62.62 3ktf s SER 40 CO 0.03 0.25 1.83 0.11 1.20 0.00 0.00 173.24 176.66 3ktf h LYS 41 N 5.65 0.24 -6.25 5.44 1.57 -2.00 -3.42 116.57 117.79 3ktf h LYS 41 Ca -0.48 -0.08 -0.58 0.00 -1.87 0.00 0.00 60.65 57.65 3ktf h LYS 41 Cb 1.20 -0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.38 3ktf h LYS 41 CO 0.67 0.47 -0.67 0.95 -0.57 0.00 0.00 179.45 180.30 3ktf s THR 42 N -4.49 3.34 -1.37 -0.16 -4.23 -1.26 -4.99 115.64 102.48 3ktf s THR 42 Ca -0.05 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 3ktf s THR 42 Cb 0.15 -2.76 0.08 0.00 1.34 0.00 0.00 72.50 71.31 3ktf s THR 42 CO 0.75 -0.32 1.99 0.33 -0.54 0.00 0.00 174.62 176.83 3ktf n PHE 43 N -0.68 3.78 -1.82 3.99 -0.00 -1.26 -4.90 117.46 116.57 3ktf n PHE 43 Ca -0.07 -2.94 -0.14 0.00 -0.00 0.00 0.00 57.45 54.30 3ktf n PHE 43 Cb 0.58 -2.43 0.09 0.00 -0.00 0.00 0.00 39.48 37.72 3ktf n PHE 43 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3ktf n ASN 44 N 6.12 0.28 0.03 -2.13 0.23 -1.26 -4.95 115.26 113.58 3ktf n ASN 44 Ca 0.48 -1.36 0.13 0.00 -0.53 0.00 0.00 54.58 53.30 3ktf n ASN 44 Cb 0.40 -0.44 0.54 0.00 -2.08 0.00 0.00 39.78 38.20 3ktf n ASN 44 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3ktf n LYS 45 N -2.24 0.06 0.00 -3.83 5.02 -1.26 -2.36 118.16 113.56 3ktf n LYS 45 Ca 0.08 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 3ktf n LYS 45 Cb 0.29 -1.58 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 3ktf n LYS 45 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ktf n GLN 46 N -1.69 0.05 -1.67 1.97 3.00 -1.26 -4.95 117.38 112.83 3ktf n GLN 46 Ca 0.06 -0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.58 3ktf n GLN 46 Cb 0.34 -1.52 -0.04 0.00 0.00 0.00 0.00 30.24 29.02 3ktf n GLN 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3ktf n VAL 47 N -1.58 0.15 -0.08 5.09 0.31 -0.99 -4.66 118.33 116.57 3ktf n VAL 47 Ca 0.04 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.29 3ktf n VAL 47 Cb 0.35 -1.61 -0.15 0.00 -0.91 0.00 0.00 33.84 31.52 3ktf n VAL 47 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ktf n THR 48 N 3.85 1.03 -4.25 2.52 -2.24 0.12 -4.92 114.28 110.38 3ktf n THR 48 Ca 0.18 -0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 61.06 3ktf n THR 48 Cb 0.29 -0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 3ktf n THR 48 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ktf s HIS 49 N -2.63 0.66 -0.20 4.78 3.76 -1.00 -1.86 115.29 118.80 3ktf s HIS 49 Ca -0.09 -0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.67 3ktf s HIS 49 Cb 0.07 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.30 3ktf s HIS 49 CO 0.78 -0.04 -0.10 0.08 -0.85 0.00 0.00 174.74 174.60 3ktf s VAL 50 N 0.03 2.89 -0.45 -0.90 1.01 0.63 -0.80 120.40 122.81 3ktf s VAL 50 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 3ktf s VAL 50 Cb -0.05 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3ktf s VAL 50 CO -0.00 0.47 0.88 -0.63 0.00 0.00 0.00 175.10 175.82 3ktf s ILE 51 N 1.32 4.54 -0.12 2.22 1.09 -0.50 -1.09 121.20 128.66 3ktf s ILE 51 Ca 0.04 0.68 0.03 0.00 -1.10 0.00 0.00 60.65 60.30 3ktf s ILE 51 Cb -0.14 -4.39 0.00 0.00 -1.06 0.00 0.00 42.46 36.88 3ktf s ILE 51 CO -0.06 -0.77 -0.23 0.12 -0.10 0.00 0.00 174.94 173.90 3ktf s PHE 52 N 3.59 2.58 -0.12 3.97 5.36 -0.19 -0.65 117.98 132.52 3ktf s PHE 52 Ca 0.35 -1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 55.10 3ktf s PHE 52 Cb -0.11 -1.74 0.06 0.00 -0.34 0.00 0.00 43.02 40.89 3ktf s PHE 52 CO 0.25 -0.51 0.22 0.21 -1.46 0.00 0.00 175.22 173.93 3ktf s LYS 53 N 0.57 0.11 -1.59 10.12 2.20 -0.35 -4.49 119.74 126.31 3ktf s LYS 53 Ca -0.13 0.63 -0.10 0.00 -0.36 0.00 0.00 55.97 56.01 3ktf s LYS 53 Cb -0.17 -0.23 0.09 0.00 -1.51 0.00 0.00 37.83 36.01 3ktf s LYS 53 CO 0.04 -0.33 0.56 -0.25 -0.36 0.00 0.00 175.35 175.00 3ktf n ASP 54 N 5.34 -1.69 -1.45 1.43 8.00 -1.26 -1.24 116.55 125.67 3ktf n ASP 54 Ca -0.05 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3ktf n ASP 54 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 3ktf n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktf n GLY 55 N -1.73 0.94 3.75 0.44 0.00 -1.26 -4.55 105.19 102.78 3ktf n GLY 55 Ca -0.11 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 3ktf n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ktf s TYR 56 N 0.88 3.88 0.33 1.61 2.02 -1.26 -4.95 117.35 119.86 3ktf s TYR 56 Ca 0.00 1.79 0.10 0.00 -0.37 0.00 0.00 57.07 58.59 3ktf s TYR 56 Cb 0.00 -2.96 0.87 0.00 -0.40 0.00 0.00 41.96 39.47 3ktf s TYR 56 CO 0.00 0.35 1.76 1.96 -1.57 0.00 0.00 175.55 178.06 3ktf h GLN 57 N 4.87 0.60 -0.61 -0.62 1.08 -1.99 -1.01 115.11 117.43 3ktf h GLN 57 Ca -0.44 -0.04 0.10 0.00 -1.45 0.00 0.00 58.65 56.82 3ktf h GLN 57 Cb 1.21 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 28.42 3ktf h GLN 57 CO 0.69 0.40 0.20 1.03 -0.95 0.00 0.00 178.83 180.20 3ktf h SER 58 N 0.62 0.16 0.07 1.46 0.87 -1.99 0.31 113.55 115.06 3ktf h SER 58 Ca 0.60 0.09 -0.21 0.00 -1.23 0.00 0.00 61.79 61.04 3ktf h SER 58 Cb 1.13 0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.20 3ktf h SER 58 CO -0.39 0.09 -0.87 0.74 -0.53 0.00 0.00 176.83 175.87 3ktf h THR 59 N 0.36 1.40 -0.42 2.23 2.02 -1.62 -1.33 112.91 115.56 3ktf h THR 59 Ca 0.32 -2.32 0.04 0.00 0.77 0.00 0.00 66.41 65.21 3ktf h THR 59 Cb 0.43 2.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 3ktf h THR 59 CO -0.34 0.68 0.19 -0.25 0.37 0.00 0.00 175.52 176.17 3ktf h TRP 60 N -0.04 0.35 -0.59 3.16 2.91 -0.89 0.14 115.95 120.99 3ktf h TRP 60 Ca -0.13 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.85 3ktf h TRP 60 Cb 1.60 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 30.13 3ktf h TRP 60 CO 0.15 0.17 0.15 -0.44 -1.03 0.00 0.00 178.44 177.43 3ktf h ASP 61 N 0.39 0.90 -0.41 2.65 3.32 -0.31 -1.08 116.42 121.89 3ktf h ASP 61 Ca 0.18 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 3ktf h ASP 61 Cb 0.11 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3ktf h ASP 61 CO -0.14 0.90 -0.19 0.50 -1.72 0.00 0.00 179.24 178.59 3ktf h LYS 62 N 0.86 0.90 -0.66 3.56 3.64 -0.86 0.03 116.57 124.05 3ktf h LYS 62 Ca 0.19 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 3ktf h LYS 62 Cb 0.35 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3ktf h LYS 62 CO 0.00 1.01 0.37 0.00 -2.27 0.00 0.00 179.45 178.57 3ktf h ALA 63 N 0.99 0.84 -0.66 5.00 0.00 -0.43 0.04 119.26 125.04 3ktf h ALA 63 Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ktf h ALA 63 Cb 0.73 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3ktf h ALA 63 CO 0.06 0.34 0.18 1.96 0.00 0.00 0.00 179.25 181.79 3ktf h GLN 64 N 0.89 1.05 -0.66 0.00 1.08 -0.95 0.30 115.11 116.82 3ktf h GLN 64 Ca 0.23 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 3ktf h GLN 64 Cb 0.01 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 3ktf h GLN 64 CO -0.04 0.93 0.15 -0.22 -0.95 0.00 0.00 178.83 178.70 3ktf h LYS 65 N 0.98 1.07 0.00 1.46 1.63 -0.69 -2.44 116.57 118.58 3ktf h LYS 65 Ca 0.21 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3ktf h LYS 65 Cb 0.34 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3ktf h LYS 65 CO -0.00 0.97 0.00 0.54 -3.45 0.00 0.00 179.45 177.50 3ktf n ARG 66 N -4.27 0.16 -1.33 1.90 1.74 -0.03 -4.94 116.66 109.89 3ktf n ARG 66 Ca 0.04 0.15 -0.05 0.00 -0.77 0.00 0.00 57.85 57.23 3ktf n ARG 66 Cb 0.26 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 3ktf n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ktf n GLY 67 N 1.25 0.66 3.81 -0.13 0.00 -0.18 -5.01 105.19 105.58 3ktf n GLY 67 Ca 0.06 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 3ktf n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktf s VAL 68 N -2.20 4.37 0.04 1.61 1.01 -0.08 -5.01 120.40 120.13 3ktf s VAL 68 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 3ktf s VAL 68 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3ktf s VAL 68 CO 0.00 -0.15 1.13 -0.54 0.00 0.00 0.00 175.10 175.54 3ktf s LYS 69 N -2.77 4.47 -0.33 2.72 1.02 -0.77 -4.60 119.74 119.47 3ktf s LYS 69 Ca 0.57 1.66 -0.12 0.00 0.02 0.00 0.00 55.97 58.09 3ktf s LYS 69 Cb -0.12 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3ktf s LYS 69 CO 0.17 -0.19 0.22 -0.51 -0.92 0.00 0.00 175.35 174.12 3ktf s LEU 70 N 1.07 4.43 0.20 3.17 1.43 -1.26 -0.27 118.68 127.45 3ktf s LEU 70 Ca 0.57 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 3ktf s LEU 70 Cb -0.27 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3ktf s LEU 70 CO 0.29 -0.22 -0.19 0.68 0.23 0.00 0.00 176.35 177.14 3ktf s VAL 71 N 1.71 2.05 0.59 -1.59 -7.23 -0.25 -3.08 120.40 112.59 3ktf s VAL 71 Ca 0.06 -2.11 -0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3ktf s VAL 71 Cb -0.17 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 34.77 3ktf s VAL 71 CO 0.10 -0.36 0.83 -0.94 -0.31 0.00 0.00 175.10 174.42 3ktf s SER 72 N -3.00 5.13 0.39 4.85 1.04 -1.15 -1.02 113.70 119.95 3ktf s SER 72 Ca 0.21 0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.79 3ktf s SER 72 Cb -0.05 -0.85 0.79 0.00 0.10 0.00 0.00 66.02 66.01 3ktf s SER 72 CO 0.09 -1.27 1.90 -0.37 0.98 0.00 0.00 173.24 174.57 3ktf h VAL 73 N -0.09 1.19 -0.88 5.02 -1.51 -1.91 -2.28 116.25 115.79 3ktf h VAL 73 Ca -0.42 -0.89 0.02 0.00 -1.23 0.00 0.00 66.70 64.18 3ktf h VAL 73 Cb 1.30 1.36 -0.05 0.00 -2.13 0.00 0.00 31.29 31.77 3ktf h VAL 73 CO 0.53 0.27 0.58 0.25 -1.23 0.00 0.00 177.57 177.97 3ktf h LEU 74 N 0.14 0.98 -0.44 4.19 5.85 -1.93 -0.57 115.31 123.52 3ktf h LEU 74 Ca 0.03 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3ktf h LEU 74 Cb 0.45 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3ktf h LEU 74 CO 0.03 0.69 0.13 -0.25 -0.34 0.00 0.00 178.44 178.71 3ktf h TRP 75 N 1.16 0.23 -0.36 1.25 7.01 -1.60 0.17 115.95 123.81 3ktf h TRP 75 Ca 0.34 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.40 3ktf h TRP 75 Cb -0.07 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 3ktf h TRP 75 CO -0.01 0.07 0.13 0.28 -2.79 0.00 0.00 178.44 176.12 3ktf h VAL 76 N 0.29 0.91 -0.82 2.65 2.07 -1.22 0.16 116.25 120.29 3ktf h VAL 76 Ca 0.21 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3ktf h VAL 76 Cb 0.23 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3ktf h VAL 76 CO -0.24 0.05 0.52 -0.08 0.02 0.00 0.00 177.57 177.84 3ktf h GLU 77 N 0.29 1.11 -0.33 1.57 4.81 -0.31 -0.70 114.58 121.02 3ktf h GLU 77 Ca 0.16 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 3ktf h GLU 77 Cb 0.13 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3ktf h GLU 77 CO -0.16 0.76 -0.42 0.87 -0.73 0.00 0.00 179.01 179.33 3ktf h LYS 78 N 1.13 0.82 -0.61 1.92 1.79 -0.17 0.90 116.57 122.35 3ktf h LYS 78 Ca 0.30 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 3ktf h LYS 78 Cb -0.08 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 3ktf h LYS 78 CO -0.06 1.08 0.29 0.00 -1.08 0.00 0.00 179.45 179.68 3ktf h ARG 80 N 0.84 0.91 -0.21 0.00 3.08 -0.56 0.98 114.38 119.43 3ktf h ARG 80 Ca 0.21 -0.15 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 3ktf h ARG 80 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3ktf h ARG 80 CO -0.02 0.75 -0.57 1.79 -1.07 0.00 0.00 179.97 180.84 3ktf h THR 81 N 0.86 1.31 0.00 2.04 1.35 -0.73 -2.72 112.91 115.03 3ktf h THR 81 Ca 0.21 -1.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.25 3ktf h THR 81 Cb 0.15 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3ktf h THR 81 CO -0.02 0.57 -0.05 0.00 -0.25 0.00 0.00 175.52 175.77 3ktf h ALA 82 N 0.87 0.98 -4.27 6.62 0.00 -0.99 -3.47 119.26 118.99 3ktf h ALA 82 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 3ktf h ALA 82 Cb 1.14 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.98 3ktf h ALA 82 CO 0.11 0.06 -0.59 0.41 0.00 0.00 0.00 179.25 179.24 3ktf n GLY 83 N 0.87 -0.48 3.53 0.00 0.00 0.30 -5.00 105.19 104.41 3ktf n GLY 83 Ca 0.03 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3ktf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ktf s ALA 84 N -3.16 -1.09 -0.84 4.61 0.00 -0.95 -4.86 121.76 115.47 3ktf s ALA 84 Ca 0.28 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 3ktf s ALA 84 Cb -0.13 0.85 0.11 0.00 0.00 0.00 0.00 23.12 23.96 3ktf s ALA 84 CO 0.35 -0.81 1.07 -1.58 0.00 0.00 0.00 175.76 174.79 3ktf s HIS 85 N -3.85 2.98 0.45 0.00 2.46 -1.19 -4.37 115.29 111.77 3ktf s HIS 85 Ca 0.08 -1.13 -0.22 0.00 0.47 0.00 0.00 55.06 54.25 3ktf s HIS 85 Cb -0.01 -4.28 -0.08 0.00 -0.13 0.00 0.00 32.58 28.07 3ktf s HIS 85 CO -0.04 -1.53 1.09 0.42 -2.47 0.00 0.00 174.74 172.21 3ktf s ILE 86 N 3.11 3.49 0.23 0.89 -1.09 -1.26 -4.97 121.20 121.60 3ktf s ILE 86 Ca 0.29 1.07 -0.31 0.00 -2.23 0.00 0.00 60.65 59.47 3ktf s ILE 86 Cb -0.09 -3.52 -0.11 0.00 -1.58 0.00 0.00 42.46 37.17 3ktf s ILE 86 CO -0.04 -0.06 1.57 -0.62 -1.23 0.00 0.00 174.94 174.56 3ktf s ASP 87 N -1.60 6.51 0.57 3.58 2.15 -1.26 -4.85 116.67 121.77 3ktf s ASP 87 Ca 0.63 2.76 0.26 0.00 0.43 0.00 0.00 52.55 56.63 3ktf s ASP 87 Cb -0.23 -2.61 1.67 0.00 -0.30 0.00 0.00 42.92 41.44 3ktf s ASP 87 CO 0.28 -0.84 2.22 -0.33 -0.17 0.00 0.00 175.17 176.33 3ktf h GLU 88 N 5.84 0.00 0.00 4.34 3.07 -1.95 -2.03 114.58 123.85 3ktf h GLU 88 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3ktf h GLU 88 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3ktf h GLU 88 CO 0.86 0.01 0.00 0.66 -1.40 0.00 0.00 179.01 179.13 3ktf h SER 89 N 0.00 0.00 0.75 1.42 4.64 -1.97 -3.12 113.55 115.27 3ktf h SER 89 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3ktf h SER 89 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3ktf h SER 89 CO 0.00 0.00 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.15 3ktf h LEU 90 N 0.00 0.00 -5.99 5.97 3.38 -1.74 -3.37 115.31 113.56 3ktf h LEU 90 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3ktf h LEU 90 Cb 0.41 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.76 3ktf h LEU 90 CO 0.00 0.74 -1.18 0.49 0.09 0.00 0.00 178.44 178.58 3ktf n PHE 91 N -3.65 0.05 -1.93 1.13 3.72 -1.18 -5.09 117.46 110.52 3ktf n PHE 91 Ca -0.01 -3.76 -0.34 0.00 -0.05 0.00 0.00 57.45 53.30 3ktf n PHE 91 Cb 0.72 -0.39 0.03 0.00 -0.94 0.00 0.00 39.48 38.90 3ktf n PHE 91 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3ktf s PRO 92 N -2.16 2.99 0.56 -1.08 0.04 -1.24 -2.92 135.00 131.19 3ktf s PRO 92 Ca 0.39 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 3ktf s PRO 92 Cb 0.31 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 3ktf s PRO 92 CO -0.09 -1.11 1.14 0.00 0.04 0.00 0.00 177.00 176.98 3ktf s ALA 93 N -2.14 2.65 0.10 8.56 0.00 -1.18 -4.49 121.76 125.25 3ktf s ALA 93 Ca 0.69 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.55 3ktf s ALA 93 Cb -0.22 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3ktf s ALA 93 CO 0.37 -0.88 -0.06 0.00 0.00 0.00 0.00 175.76 175.19 3ktf s ALA 94 N -1.78 3.10 -1.71 0.00 0.00 -1.26 -4.95 121.76 115.15 3ktf s ALA 94 Ca 0.73 -1.19 0.14 0.00 0.00 0.00 0.00 51.96 51.64 3ktf s ALA 94 Cb -0.25 -1.02 0.11 0.00 0.00 0.00 0.00 23.12 21.96 3ktf s ALA 94 CO 0.29 0.67 0.93 -1.71 0.00 0.00 0.00 175.76 175.94