#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1knz h GLN 8 N 0.00 1.24 -0.65 -2.82 4.15 -1.91 0.12 115.11 115.24 1knz h GLN 8 Ca 0.00 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 1knz h GLN 8 Cb 0.00 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.42 1knz h GLN 8 CO 0.00 0.90 0.14 1.96 -1.93 0.00 0.00 178.83 179.90 1knz h GLN 9 N 1.25 1.04 -0.56 1.69 4.20 -1.98 -1.47 115.11 119.27 1knz h GLN 9 Ca 0.32 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1knz h GLN 9 Cb 0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1knz h GLN 9 CO -0.05 0.93 0.08 0.52 -0.67 0.00 0.00 178.83 179.64 1knz h MET 10 N 0.98 0.94 -0.30 1.46 2.86 -1.77 0.19 114.93 119.29 1knz h MET 10 Ca 0.20 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1knz h MET 10 Cb 0.37 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1knz h MET 10 CO 0.00 0.91 0.15 0.00 1.06 0.00 0.00 176.91 179.03 1knz h ALA 11 N 0.99 0.36 -0.45 6.32 0.00 -0.47 0.69 119.26 126.71 1knz h ALA 11 Ca 0.17 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1knz h ALA 11 Cb 0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1knz h ALA 11 CO 0.01 -0.23 0.17 0.28 0.00 0.00 0.00 179.25 179.49 1knz h VAL 12 N 0.32 0.87 -0.21 0.00 2.07 -0.96 0.11 116.25 118.45 1knz h VAL 12 Ca 0.12 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1knz h VAL 12 Cb 0.03 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1knz h VAL 12 CO -0.08 0.06 0.04 -1.28 0.02 0.00 0.00 177.57 176.33 1knz h SER 13 N 0.35 -0.00 -0.54 0.57 0.87 0.75 -1.64 113.55 113.91 1knz h SER 13 Ca 0.21 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1knz h SER 13 Cb 0.20 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1knz h SER 13 CO -0.21 0.03 0.36 0.40 -0.53 0.00 0.00 176.83 176.88 1knz h ILE 14 N 0.12 1.14 -0.40 2.23 2.04 0.10 -1.45 117.51 121.29 1knz h ILE 14 Ca 0.10 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1knz h ILE 14 Cb 0.09 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1knz h ILE 14 CO -0.13 0.14 0.21 0.40 0.00 0.00 0.00 178.15 178.77 1knz h ILE 15 N 0.74 1.00 -0.64 -0.67 2.04 -0.67 -1.09 117.51 118.22 1knz h ILE 15 Ca 0.20 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1knz h ILE 15 Cb -0.08 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1knz h ILE 15 CO -0.04 0.08 0.22 0.78 0.00 0.00 0.00 178.15 179.19 1knz h ASN 16 N 0.44 0.91 -0.51 1.72 4.21 -0.98 -1.70 115.58 119.66 1knz h ASN 16 Ca 0.17 -0.19 0.01 0.00 1.21 0.00 0.00 56.30 57.49 1knz h ASN 16 Cb 0.05 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.98 1knz h ASN 16 CO -0.10 0.86 0.34 0.28 -1.29 0.00 0.00 177.43 177.52 1knz h SER 17 N 0.91 0.57 -0.52 5.81 0.02 -0.96 0.29 113.55 119.67 1knz h SER 17 Ca 0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1knz h SER 17 Cb 0.26 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1knz h SER 17 CO -0.01 0.41 0.26 -1.28 -1.14 0.00 0.00 176.83 175.07 1knz h SER 18 N 0.67 0.66 -0.42 3.07 0.87 -0.35 0.56 113.55 118.61 1knz h SER 18 Ca 0.19 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1knz h SER 18 Cb -0.03 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1knz h SER 18 CO -0.04 0.59 0.19 0.15 -0.53 0.00 0.00 176.83 177.18 1knz h PHE 19 N 0.69 0.61 -0.69 2.24 3.57 -0.37 -1.46 116.94 121.53 1knz h PHE 19 Ca 0.18 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1knz h PHE 19 Cb 0.09 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1knz h PHE 19 CO -0.01 0.51 0.45 0.93 -2.23 0.00 0.00 178.31 177.96 1knz h GLU 20 N 0.53 0.80 -0.26 1.11 5.08 -0.58 -2.06 114.58 119.20 1knz h GLU 20 Ca 0.14 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1knz h GLU 20 Cb 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1knz h GLU 20 CO -0.02 0.53 0.01 0.00 -1.00 0.00 0.00 179.01 178.53 1knz h ALA 21 N 1.60 0.35 -0.81 3.43 0.00 -0.32 -1.82 119.26 121.70 1knz h ALA 21 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1knz h ALA 21 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1knz h ALA 21 CO -0.08 0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.76 1knz h ALA 22 N 0.83 1.37 0.21 0.00 0.00 -0.75 -0.66 119.26 120.26 1knz h ALA 22 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1knz h ALA 22 Cb 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1knz h ALA 22 CO 0.01 0.56 -0.10 0.28 0.00 0.00 0.00 179.25 180.00 1knz h VAL 23 N 1.11 0.88 -0.90 0.00 2.07 -1.27 -0.95 116.25 117.18 1knz h VAL 23 Ca 0.29 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1knz h VAL 23 Cb -0.08 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1knz h VAL 23 CO -0.06 0.13 0.58 0.58 0.02 0.00 0.00 177.57 178.83 1knz h VAL 24 N -0.59 1.02 0.20 2.57 2.07 -1.13 0.31 116.25 120.70 1knz h VAL 24 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1knz h VAL 24 Cb 0.43 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1knz h VAL 24 CO 0.05 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.72 1knz h ALA 25 N 1.53 -0.27 0.73 1.67 0.00 -1.01 0.20 119.26 122.11 1knz h ALA 25 Ca 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1knz h ALA 25 Cb 0.29 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1knz h ALA 25 CO -0.16 -0.59 -0.40 0.00 0.00 0.00 0.00 179.25 178.10 1knz h ALA 26 N 0.38 -1.06 -0.82 0.00 0.00 -0.47 -0.70 119.26 116.59 1knz h ALA 26 Ca -0.03 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1knz h ALA 26 Cb 0.30 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1knz h ALA 26 CO 0.05 -1.10 0.47 0.00 0.00 0.00 0.00 179.25 178.67 1knz h THR 27 N -1.04 0.93 0.00 0.00 1.03 -0.40 -1.01 112.91 112.41 1knz h THR 27 Ca -0.10 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.03 1knz h THR 27 Cb 0.82 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 1knz h THR 27 CO 0.13 0.15 0.00 0.77 -0.01 0.00 0.00 175.52 176.56 1knz h SER 28 N 0.81 0.00 -0.09 0.00 4.64 -0.54 -2.90 113.55 115.47 1knz h SER 28 Ca 0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1knz h SER 28 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1knz h SER 28 CO -0.23 0.00 -0.65 0.00 -0.87 0.00 0.00 176.83 175.07 1knz h ALA 29 N 2.05 0.20 -0.42 5.18 0.00 0.15 -2.19 119.26 124.23 1knz h ALA 29 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1knz h ALA 29 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1knz h ALA 29 CO 0.00 0.50 0.27 -0.07 0.00 0.00 0.00 179.25 179.95 1knz h LEU 30 N 0.24 0.48 -0.59 0.00 -0.00 -1.27 -2.57 115.31 111.61 1knz h LEU 30 Ca -0.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 1knz h LEU 30 Cb 1.30 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1knz h LEU 30 CO 0.13 0.36 0.31 -0.08 -0.00 0.00 0.00 178.44 179.16 1knz h GLU 31 N 0.56 0.83 0.00 1.13 4.81 -1.51 -0.46 114.58 119.95 1knz h GLU 31 Ca 0.15 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1knz h GLU 31 Cb -0.05 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1knz h GLU 31 CO -0.03 0.65 0.00 -0.97 -0.73 0.00 0.00 179.01 177.93 1knz h ASN 32 N 0.80 0.00 -0.72 1.04 -1.24 -1.31 -2.28 115.58 111.87 1knz h ASN 32 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 1knz h ASN 32 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1knz h ASN 32 CO -0.03 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.34 1knz n MET 33 N -2.79 2.73 -2.66 6.67 2.81 -0.86 -4.96 117.12 118.07 1knz n MET 33 Ca 0.01 -2.65 -0.17 0.00 -1.81 0.00 0.00 57.70 53.08 1knz n MET 33 Cb 0.27 -1.56 0.02 0.00 -0.71 0.00 0.00 33.22 31.23 1knz n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1knz n GLY 34 N 1.63 -0.28 3.41 3.03 0.00 -0.86 -5.00 105.19 107.12 1knz n GLY 34 Ca 0.24 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1knz n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1knz s ILE 35 N -2.96 3.57 0.70 -0.61 1.01 -0.24 -5.03 121.20 117.63 1knz s ILE 35 Ca 0.15 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 1knz s ILE 35 Cb -0.07 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1knz s ILE 35 CO 0.19 0.47 1.07 -1.83 0.00 0.00 0.00 174.94 174.85 1knz s GLU 36 N 0.73 2.80 -0.11 2.79 4.04 -1.26 -4.05 118.70 123.63 1knz s GLU 36 Ca -0.03 1.11 -0.32 0.00 0.04 0.00 0.00 54.97 55.77 1knz s GLU 36 Cb -0.15 -1.97 0.12 0.00 0.02 0.00 0.00 34.13 32.16 1knz s GLU 36 CO 0.02 -1.22 1.05 1.52 -1.84 0.00 0.00 175.26 174.79 1knz s TYR 37 N -2.83 -0.25 -0.22 4.83 -0.85 -1.26 -5.04 117.35 111.73 1knz s TYR 37 Ca 0.61 0.19 -0.08 0.00 -0.52 0.00 0.00 57.07 57.27 1knz s TYR 37 Cb -0.16 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1knz s TYR 37 CO 0.51 -0.36 0.08 0.34 -1.52 0.00 0.00 175.55 174.59 1knz s ASP 38 N -2.19 5.43 0.15 -0.18 -1.08 -1.26 -5.00 116.67 112.54 1knz s ASP 38 Ca 0.06 -0.07 -0.31 0.00 -0.52 0.00 0.00 52.55 51.71 1knz s ASP 38 Cb -0.01 -1.96 -0.08 0.00 -1.46 0.00 0.00 42.92 39.41 1knz s ASP 38 CO -0.06 0.05 1.54 0.22 0.52 0.00 0.00 175.17 177.43 1knz h TYR 39 N 7.62 -1.83 -0.99 -5.34 3.20 -2.00 0.20 116.97 117.82 1knz h TYR 39 Ca -0.37 0.12 0.18 0.00 3.14 0.00 0.00 58.73 61.80 1knz h TYR 39 Cb 1.18 0.91 -0.10 0.00 1.54 0.00 0.00 36.73 40.25 1knz h TYR 39 CO 0.64 -0.40 0.61 1.96 -1.64 0.00 0.00 178.16 179.33 1knz h GLN 40 N -0.11 0.73 0.81 1.82 1.08 -1.98 0.47 115.11 117.94 1knz h GLN 40 Ca 0.13 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1knz h GLN 40 Cb 0.46 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1knz h GLN 40 CO -0.84 0.48 -0.39 0.22 -0.95 0.00 0.00 178.83 177.35 1knz h ASP 41 N 0.75 -0.92 0.13 1.46 3.58 -1.06 -1.02 116.42 119.34 1knz h ASP 41 Ca 0.55 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.97 1knz h ASP 41 Cb 0.87 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1knz h ASP 41 CO -0.33 -0.63 -0.18 0.40 -2.88 0.00 0.00 179.24 175.63 1knz h ILE 42 N -1.15 1.17 -0.22 2.25 2.04 -0.75 -1.53 117.51 119.31 1knz h ILE 42 Ca -0.11 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1knz h ILE 42 Cb 0.85 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1knz h ILE 42 CO 0.18 0.23 0.09 0.22 0.00 0.00 0.00 178.15 178.87 1knz h TYR 43 N 0.10 0.34 -0.70 1.37 3.20 0.11 -2.28 116.97 119.12 1knz h TYR 43 Ca 0.02 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1knz h TYR 43 Cb 0.38 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1knz h TYR 43 CO 0.00 0.38 0.17 1.03 -1.64 0.00 0.00 178.16 178.11 1knz h SER 44 N 0.21 1.05 -0.03 -2.11 0.87 -0.76 -2.15 113.55 110.62 1knz h SER 44 Ca 0.07 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1knz h SER 44 Cb 0.19 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1knz h SER 44 CO -0.01 1.00 0.01 0.03 -0.53 0.00 0.00 176.83 177.34 1knz h ARG 45 N 1.05 0.04 -0.33 2.24 3.08 -1.14 -1.52 114.38 117.81 1knz h ARG 45 Ca 0.22 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.21 1knz h ARG 45 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1knz h ARG 45 CO 0.00 0.21 -0.04 0.28 -1.07 0.00 0.00 179.97 179.35 1knz h VAL 46 N -0.13 1.21 -0.08 2.04 2.07 -1.41 -2.58 116.25 117.37 1knz h VAL 46 Ca 0.01 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1knz h VAL 46 Cb 0.18 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1knz h VAL 46 CO -0.00 0.29 -0.02 0.50 0.02 0.00 0.00 177.57 178.36 1knz h LYS 47 N 0.50 0.16 -0.60 1.57 3.11 -1.25 0.84 116.57 120.89 1knz h LYS 47 Ca 0.10 -0.06 0.07 0.00 -2.81 0.00 0.00 60.65 57.95 1knz h LYS 47 Cb 0.38 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.54 1knz h LYS 47 CO 0.02 0.49 0.27 -0.91 -2.81 0.00 0.00 179.45 176.51 1knz h ASN 48 N -0.18 0.34 0.27 4.20 2.35 -1.15 0.67 115.58 122.08 1knz h ASN 48 Ca 0.02 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1knz h ASN 48 Cb 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1knz h ASN 48 CO 0.01 0.22 -0.13 0.50 -1.65 0.00 0.00 177.43 176.38 1knz h LYS 49 N 0.50 -0.35 -0.41 0.81 1.63 -1.36 -1.46 116.57 115.92 1knz h LYS 49 Ca 0.29 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.17 1knz h LYS 49 Cb 0.28 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 1knz h LYS 49 CO -0.24 -0.07 0.11 0.35 -3.45 0.00 0.00 179.45 176.16 1knz h PHE 50 N -0.64 0.19 -0.34 1.91 3.57 -0.59 0.30 116.94 121.34 1knz h PHE 50 Ca -0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1knz h PHE 50 Cb 0.45 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1knz h PHE 50 CO 0.01 0.05 0.15 -0.44 -2.23 0.00 0.00 178.31 175.85 1knz h ASP 51 N 0.25 0.46 -0.48 0.41 3.45 -0.89 0.56 116.42 120.19 1knz h ASP 51 Ca 0.20 -0.15 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 1knz h ASP 51 Cb 0.22 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 1knz h ASP 51 CO -0.23 0.48 0.08 0.15 -1.57 0.00 0.00 179.24 178.14 1knz h PHE 52 N 0.41 0.84 0.01 4.55 3.57 -0.79 -0.93 116.94 124.59 1knz h PHE 52 Ca 0.12 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1knz h PHE 52 Cb 0.15 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1knz h PHE 52 CO -0.01 0.78 -0.00 0.28 -2.23 0.00 0.00 178.31 177.12 1knz h VAL 53 N 0.66 1.11 -0.54 1.41 2.07 -0.28 0.29 116.25 120.97 1knz h VAL 53 Ca 0.15 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1knz h VAL 53 Cb 0.39 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1knz h VAL 53 CO 0.01 0.09 0.17 0.24 0.02 0.00 0.00 177.57 178.10 1knz h MET 54 N -0.17 0.81 0.02 1.57 2.86 -0.83 -0.55 114.93 118.64 1knz h MET 54 Ca -0.00 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1knz h MET 54 Cb 0.16 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1knz h MET 54 CO 0.00 0.70 -0.01 0.22 1.06 0.00 0.00 176.91 178.88 1knz h ASP 55 N 0.79 -0.02 -0.82 1.22 3.58 -1.07 -1.50 116.42 118.60 1knz h ASP 55 Ca 0.18 -0.28 0.07 0.00 0.42 0.00 0.00 57.03 57.43 1knz h ASP 55 Cb 0.23 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 1knz h ASP 55 CO -0.01 0.61 0.53 -0.78 -2.88 0.00 0.00 179.24 176.72 1knz h ASP 56 N -1.00 0.77 1.03 2.28 1.82 -0.47 -0.96 116.42 119.88 1knz h ASP 56 Ca -0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1knz h ASP 56 Cb 0.30 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1knz h ASP 56 CO 0.00 0.48 0.00 0.77 -1.61 0.00 0.00 179.24 178.89 1knz h SER 57 N 0.86 0.00 0.00 2.28 4.64 -1.23 -3.46 113.55 116.64 1knz h SER 57 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1knz h SER 57 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1knz h SER 57 CO -0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 1knz n GLY 58 N 0.14 0.42 0.19 -0.77 0.00 -0.37 -4.89 105.19 99.92 1knz n GLY 58 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1knz n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1knz h VAL 59 N 0.00 0.52 -0.13 1.61 2.07 -1.75 -2.59 116.25 115.98 1knz h VAL 59 Ca 0.00 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 1knz h VAL 59 Cb 0.21 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1knz h VAL 59 CO 0.00 0.27 -0.10 0.50 0.02 0.00 0.00 177.57 178.26 1knz h LYS 60 N 0.00 0.29 -0.69 1.57 3.64 -1.60 -2.99 116.57 116.80 1knz h LYS 60 Ca -0.00 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1knz h LYS 60 Cb 1.07 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1knz h LYS 60 CO 0.04 0.66 0.46 -0.91 -2.27 0.00 0.00 179.45 177.43 1knz h ASN 61 N -0.07 0.73 0.42 4.20 2.35 -1.80 -2.77 115.58 118.63 1knz h ASN 61 Ca 0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1knz h ASN 61 Cb 0.59 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1knz h ASN 61 CO 0.03 0.51 -0.38 -1.13 -1.65 0.00 0.00 177.43 174.80 1knz h ASN 62 N 0.85 -1.02 -0.14 5.81 -0.73 -1.31 -1.22 115.58 117.83 1knz h ASN 62 Ca 0.27 0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.51 1knz h ASN 62 Cb 0.04 0.33 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1knz h ASN 62 CO -0.08 -0.54 0.01 -0.65 -0.37 0.00 0.00 177.43 175.80 1knz h PRO 63 N -0.81 0.24 -0.72 6.67 0.11 -1.52 -0.73 132.00 135.24 1knz h PRO 63 Ca -0.04 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.03 1knz h PRO 63 Cb 0.71 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.75 1knz h PRO 63 CO -0.04 0.46 0.45 0.82 -0.21 0.00 0.00 178.00 179.48 1knz h ILE 64 N -0.01 1.08 -0.26 4.15 2.04 -1.56 1.14 117.51 124.10 1knz h ILE 64 Ca 0.04 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1knz h ILE 64 Cb 0.35 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1knz h ILE 64 CO 0.01 0.16 0.16 1.23 0.00 0.00 0.00 178.15 179.70 1knz h GLY 65 N 0.87 0.38 1.01 5.37 0.00 -1.11 0.13 103.07 109.72 1knz h GLY 65 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1knz h GLY 65 CO -0.12 0.15 0.35 0.50 0.00 0.00 0.00 176.54 177.43 1knz h LYS 66 N 0.33 1.05 -0.76 4.80 1.57 -0.07 -1.33 116.57 122.15 1knz h LYS 66 Ca 0.09 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1knz h LYS 66 Cb 0.01 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 1knz h LYS 66 CO -0.02 0.82 0.45 0.00 -0.57 0.00 0.00 179.45 180.13 1knz h ALA 67 N 1.17 1.03 -0.56 3.86 0.00 0.20 -1.83 119.26 123.14 1knz h ALA 67 Ca 0.25 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1knz h ALA 67 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1knz h ALA 67 CO -0.03 0.15 0.09 0.82 0.00 0.00 0.00 179.25 180.28 1knz h ILE 68 N 0.82 1.24 -0.55 0.00 2.04 -0.07 -1.96 117.51 119.03 1knz h ILE 68 Ca 0.34 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1knz h ILE 68 Cb 0.19 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1knz h ILE 68 CO -0.18 0.34 0.30 0.74 0.00 0.00 0.00 178.15 179.35 1knz h THR 69 N 0.84 1.17 -0.23 -0.27 2.02 -0.45 -1.29 112.91 114.70 1knz h THR 69 Ca 0.17 -0.43 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 1knz h THR 69 Cb 0.38 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1knz h THR 69 CO 0.01 0.19 -0.51 0.40 0.37 0.00 0.00 175.52 175.98 1knz h ILE 70 N 0.76 1.30 -0.28 3.11 2.04 -0.87 -1.89 117.51 121.68 1knz h ILE 70 Ca 0.20 -1.72 0.04 0.00 1.00 0.00 0.00 64.86 64.38 1knz h ILE 70 Cb 0.03 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1knz h ILE 70 CO -0.03 0.55 0.06 0.44 0.00 0.00 0.00 178.15 179.17 1knz h ASP 71 N 0.48 0.02 -0.33 1.72 3.32 -0.85 -0.39 116.42 120.40 1knz h ASP 71 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1knz h ASP 71 Cb 1.12 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1knz h ASP 71 CO 0.11 0.05 0.15 1.56 -1.72 0.00 0.00 179.24 179.39 1knz h GLN 72 N 0.17 0.31 -0.51 3.56 4.20 -1.21 0.04 115.11 121.67 1knz h GLN 72 Ca 0.13 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1knz h GLN 72 Cb 0.13 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1knz h GLN 72 CO -0.17 0.21 0.34 0.00 -0.67 0.00 0.00 178.83 178.54 1knz h ALA 73 N 1.18 1.94 0.00 3.87 0.00 -0.78 0.41 119.26 125.88 1knz h ALA 73 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1knz h ALA 73 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1knz h ALA 73 CO -0.11 -0.04 0.00 -0.07 0.00 0.00 0.00 179.25 179.03 1knz h LEU 74 N 0.42 0.00 -3.50 0.00 3.38 0.67 -2.05 115.31 114.22 1knz h LEU 74 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1knz h LEU 74 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1knz h LEU 74 CO -0.06 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.27 1knz n ASN 75 N -2.87 5.63 -0.98 -0.43 2.85 0.12 -4.91 115.26 114.67 1knz n ASN 75 Ca 0.02 -2.88 -0.10 0.00 -0.11 0.00 0.00 54.58 51.51 1knz n ASN 75 Cb 0.35 -0.68 -0.02 0.00 1.24 0.00 0.00 39.78 40.67 1knz n ASN 75 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1knz n ASN 76 N 0.67 -3.54 -3.88 1.20 3.02 -0.77 -4.98 115.26 106.97 1knz n ASN 76 Ca 0.27 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.60 1knz n ASN 76 Cb 1.17 -2.52 -0.10 0.00 -0.61 0.00 0.00 39.78 37.71 1knz n ASN 76 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1knz n LYS 77 N -2.18 2.11 0.00 3.52 5.02 0.25 -4.91 118.16 121.97 1knz n LYS 77 Ca -0.11 -4.52 0.14 0.00 -2.02 0.00 0.00 58.31 51.81 1knz n LYS 77 Cb 0.50 -2.31 0.83 0.00 -0.02 0.00 0.00 35.03 34.03 1knz n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1knz n PHE 78 N 1.86 0.00 -0.30 2.13 3.01 -1.26 -2.86 117.46 120.04 1knz n PHE 78 Ca 0.22 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.81 1knz n PHE 78 Cb 0.36 -0.04 0.31 0.00 -0.01 0.00 0.00 39.48 40.10 1knz n PHE 78 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1knz h GLY 79 N 4.49 1.44 1.05 1.37 0.00 -1.95 0.69 103.07 110.17 1knz h GLY 79 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 47.33 47.00 1knz h GLY 79 CO 0.00 -0.35 -1.03 0.23 0.00 0.00 0.00 176.54 175.39 1knz h SER 80 N 0.26 0.75 -0.76 0.19 0.87 -1.90 -1.40 113.55 111.56 1knz h SER 80 Ca 0.56 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1knz h SER 80 Cb 1.14 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 1knz h SER 80 CO -0.62 1.49 0.49 0.00 -0.53 0.00 0.00 176.83 177.66 1knz h ALA 81 N 0.27 1.42 -0.65 6.23 0.00 -1.53 0.25 119.26 125.25 1knz h ALA 81 Ca -0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1knz h ALA 81 Cb 1.73 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1knz h ALA 81 CO 0.20 0.52 0.16 0.82 0.00 0.00 0.00 179.25 180.95 1knz h ILE 82 N 1.04 1.26 -0.58 0.00 2.04 0.38 -1.32 117.51 120.34 1knz h ILE 82 Ca 0.28 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1knz h ILE 82 Cb -0.09 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1knz h ILE 82 CO -0.06 0.36 0.18 -0.09 0.00 0.00 0.00 178.15 178.54 1knz h ARG 83 N 0.96 0.86 -0.17 2.37 2.43 0.10 -1.70 114.38 119.24 1knz h ARG 83 Ca 0.20 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1knz h ARG 83 Cb 0.36 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1knz h ARG 83 CO 0.00 0.75 0.08 -0.97 -1.51 0.00 0.00 179.97 178.32 1knz h ASN 84 N 0.84 0.22 0.11 -3.80 -1.24 0.09 -0.69 115.58 111.11 1knz h ASN 84 Ca 0.19 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1knz h ASN 84 Cb 0.24 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1knz h ASN 84 CO -0.01 0.27 -0.05 0.03 -1.29 0.00 0.00 177.43 176.38 1knz h ARG 85 N 0.15 -0.15 -0.72 6.67 2.47 -0.98 -1.85 114.38 119.97 1knz h ARG 85 Ca 0.06 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.83 1knz h ARG 85 Cb 0.11 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 1knz h ARG 85 CO -0.01 -0.09 0.44 -0.91 0.56 0.00 0.00 179.97 179.97 1knz h ASN 86 N -0.16 0.71 0.52 7.04 2.35 -1.25 -0.24 115.58 124.56 1knz h ASN 86 Ca -0.02 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1knz h ASN 86 Cb 0.12 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1knz h ASN 86 CO 0.03 0.48 -0.40 -0.25 -1.65 0.00 0.00 177.43 175.64 1knz h TRP 87 N 0.85 -1.08 -0.03 1.19 7.01 -0.90 0.11 115.95 123.10 1knz h TRP 87 Ca 0.30 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.31 1knz h TRP 87 Cb 0.07 0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1knz h TRP 87 CO -0.05 -0.58 0.03 -0.07 -2.79 0.00 0.00 178.44 174.98 1knz h LEU 88 N -0.90 0.00 0.00 0.65 3.38 -1.15 -2.29 115.31 115.00 1knz h LEU 88 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1knz h LEU 88 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1knz h LEU 88 CO 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 178.44 177.83 1knz h ALA 89 N 1.97 0.69 -1.26 1.53 0.00 -0.22 -3.47 119.26 118.50 1knz h ALA 89 Ca 0.01 -0.19 -0.76 0.00 0.00 0.00 0.00 54.91 53.98 1knz h ALA 89 Cb 0.07 0.03 0.05 0.00 0.00 0.00 0.00 17.79 17.94 1knz h ALA 89 CO -0.00 0.22 0.28 -0.25 0.00 0.00 0.00 179.25 179.51 1knz n ASP 90 N -2.91 0.77 -0.19 0.00 10.43 0.31 -4.79 116.55 120.17 1knz n ASP 90 Ca -0.00 1.14 0.25 0.00 2.57 0.00 0.00 54.79 58.75 1knz n ASP 90 Cb 0.61 -1.02 0.65 0.00 1.84 0.00 0.00 41.12 43.20 1knz n ASP 90 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1knz h THR 91 N 3.37 0.60 -0.02 -3.53 1.35 -1.90 -1.06 112.91 111.73 1knz h THR 91 Ca -0.49 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1knz h THR 91 Cb 1.39 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1knz h THR 91 CO 0.73 0.02 -0.22 -1.20 -0.25 0.00 0.00 175.52 174.61 1knz n SER 92 N -4.36 2.29 -0.22 5.36 7.64 -1.26 -4.61 113.62 118.45 1knz n SER 92 Ca 0.18 -1.66 -0.04 0.00 1.01 0.00 0.00 58.87 58.37 1knz n SER 92 Cb 0.85 0.21 0.02 0.00 -1.01 0.00 0.00 64.21 64.28 1knz n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1knz h ARG 93 N 3.24 -0.12 -0.69 1.43 9.65 -1.47 0.35 114.38 126.77 1knz h ARG 93 Ca 0.00 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1knz h ARG 93 Cb 0.81 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.37 1knz h ARG 93 CO 0.00 -0.08 0.43 -1.35 2.80 0.00 0.00 179.97 181.76 1knz h PRO 94 N -0.13 0.81 -0.22 0.20 0.11 -1.82 0.17 132.00 131.12 1knz h PRO 94 Ca 0.26 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.33 1knz h PRO 94 Cb 0.55 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1knz h PRO 94 CO -0.72 0.53 0.10 0.00 -0.21 0.00 0.00 178.00 177.70 1knz h ALA 95 N 1.30 0.25 -0.06 -0.75 0.00 -1.46 0.45 119.26 119.00 1knz h ALA 95 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1knz h ALA 95 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1knz h ALA 95 CO -0.11 -0.32 0.03 0.87 0.00 0.00 0.00 179.25 179.72 1knz h LYS 96 N 0.21 0.08 -0.27 0.00 1.79 -0.39 0.27 116.57 118.26 1knz h LYS 96 Ca 0.09 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 1knz h LYS 96 Cb 0.03 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1knz h LYS 96 CO -0.07 0.09 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.08 1knz h LEU 97 N 0.04 0.52 -0.72 2.94 3.38 -0.54 -2.08 115.31 118.84 1knz h LEU 97 Ca 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1knz h LEU 97 Cb 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1knz h LEU 97 CO -0.00 0.75 0.42 0.44 0.09 0.00 0.00 178.44 180.14 1knz h ASP 98 N 0.46 0.87 -0.44 -0.43 3.32 0.37 0.35 116.42 120.91 1knz h ASP 98 Ca 0.07 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1knz h ASP 98 Cb 0.66 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1knz h ASP 98 CO 0.05 0.68 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.67 1knz h GLU 99 N 0.98 0.97 0.74 3.56 5.08 -0.72 -0.93 114.58 124.25 1knz h GLU 99 Ca 0.26 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1knz h GLU 99 Cb -0.02 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1knz h GLU 99 CO -0.05 1.10 -0.35 0.22 -1.00 0.00 0.00 179.01 178.92 1knz h ASP 100 N 0.83 -0.84 -0.73 1.42 1.82 -0.83 -2.14 116.42 115.95 1knz h ASP 100 Ca 0.10 0.02 0.12 0.00 -0.39 0.00 0.00 57.03 56.89 1knz h ASP 100 Cb 0.82 0.22 -0.08 0.00 0.68 0.00 0.00 39.33 40.97 1knz h ASP 100 CO 0.07 -0.59 0.32 0.58 -1.61 0.00 0.00 179.24 178.01 1knz h VAL 101 N -1.01 0.74 0.00 2.25 2.07 -0.26 -2.31 116.25 117.73 1knz h VAL 101 Ca -0.10 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1knz h VAL 101 Cb 0.77 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1knz h VAL 101 CO 0.17 0.09 -0.00 -1.13 0.02 0.00 0.00 177.57 176.72 1knz h ASN 102 N 0.51 -0.00 -0.37 0.57 -1.24 -1.00 -0.77 115.58 113.28 1knz h ASN 102 Ca 0.39 -0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.43 1knz h ASN 102 Cb 0.52 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.50 1knz h ASN 102 CO -0.35 0.04 -0.07 0.11 -1.29 0.00 0.00 177.43 175.87 1knz h LYS 103 N -0.04 0.02 -0.28 6.67 1.79 -1.00 -0.61 116.57 123.12 1knz h LYS 103 Ca -0.00 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1knz h LYS 103 Cb 0.04 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1knz h LYS 103 CO 0.00 0.01 0.02 -0.07 -1.08 0.00 0.00 179.45 178.33 1knz h LEU 104 N 0.02 -0.07 -1.31 2.94 3.38 -1.15 -2.39 115.31 116.73 1knz h LEU 104 Ca 0.18 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1knz h LEU 104 Cb 0.27 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1knz h LEU 104 CO -0.36 0.00 -0.12 0.03 0.09 0.00 0.00 178.44 178.08 1knz h ARG 105 N 0.11 0.32 0.00 1.13 3.08 -0.54 -1.87 114.38 116.61 1knz h ARG 105 Ca 0.13 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1knz h ARG 105 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1knz h ARG 105 CO -0.21 0.45 -0.26 1.98 -1.07 0.00 0.00 179.97 180.87 1knz h MET 106 N 0.31 0.00 -0.16 0.04 4.05 -0.62 -2.76 114.93 115.78 1knz h MET 106 Ca 0.06 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.36 1knz h MET 106 Cb 0.40 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1knz h MET 106 CO 0.02 0.26 -0.43 0.52 0.23 0.00 0.00 176.91 177.51 1knz h MET 107 N 0.00 0.37 -3.27 0.39 2.86 -1.04 -3.52 114.93 110.72 1knz h MET 107 Ca -0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1knz h MET 107 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1knz h MET 107 CO 0.03 0.74 0.47 1.28 1.06 0.00 0.00 176.91 180.49 1knz n LEU 108 N -4.01 0.00 0.00 1.22 4.77 -1.05 -5.14 117.00 112.79 1knz n LEU 108 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1knz n LEU 108 Cb 0.51 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1knz n LEU 108 CO 0.43 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1knz n GLY 112 N 2.87 1.31 3.67 -0.72 0.00 -1.26 -5.08 105.19 105.98 1knz n GLY 112 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1knz n GLY 112 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1knz n ILE 113 N 0.00 0.00 0.26 -0.61 2.08 -1.26 -4.87 119.36 114.96 1knz n ILE 113 Ca 0.00 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 1knz n ILE 113 Cb 0.00 -0.15 -0.08 0.00 -0.75 0.00 0.00 39.64 38.66 1knz n ILE 113 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1knz h ASP 114 N 0.00 -0.53 -0.31 4.38 3.32 -2.06 -0.54 116.42 120.67 1knz h ASP 114 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1knz h ASP 114 Cb 0.00 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1knz h ASP 114 CO 0.00 -0.33 0.21 1.56 -1.72 0.00 0.00 179.24 178.96 1knz h GLN 115 N -0.70 0.41 -0.51 3.56 7.50 -2.00 -1.93 115.11 121.44 1knz h GLN 115 Ca -0.06 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.16 1knz h GLN 115 Cb 0.52 -0.09 -0.09 0.00 0.05 0.00 0.00 27.48 27.87 1knz h GLN 115 CO 0.11 0.27 -0.03 -0.22 -1.50 0.00 0.00 178.83 177.46 1knz h LYS 116 N 0.42 0.09 -0.67 1.46 3.64 -1.94 -2.03 116.57 117.53 1knz h LYS 116 Ca 0.11 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1knz h LYS 116 Cb -0.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1knz h LYS 116 CO -0.03 0.06 0.11 0.52 -2.27 0.00 0.00 179.45 177.84 1knz h MET 117 N 0.09 1.10 -0.49 1.90 2.86 -0.77 -0.99 114.93 118.63 1knz h MET 117 Ca 0.26 -0.29 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1knz h MET 117 Cb 0.39 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 1knz h MET 117 CO -0.45 1.01 0.09 -0.09 1.06 0.00 0.00 176.91 178.53 1knz h ARG 118 N 1.03 0.21 -0.21 1.72 2.43 -0.65 1.59 114.38 120.51 1knz h ARG 118 Ca 0.20 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1knz h ARG 118 Cb 0.44 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1knz h ARG 118 CO 0.01 0.14 -0.16 0.28 -1.51 0.00 0.00 179.97 178.73 1knz h VAL 119 N 0.22 1.32 -0.42 0.20 2.07 -1.26 -3.00 116.25 115.38 1knz h VAL 119 Ca 0.25 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 1knz h VAL 119 Cb 0.33 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1knz h VAL 119 CO -0.33 0.39 -0.00 -0.07 0.02 0.00 0.00 177.57 177.58 1knz h LEU 120 N 0.18 0.73 -2.27 2.57 3.38 -0.50 -3.03 115.31 116.36 1knz h LEU 120 Ca 0.04 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1knz h LEU 120 Cb 0.69 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1knz h LEU 120 CO 0.04 0.86 -0.04 0.78 0.09 0.00 0.00 178.44 180.17 1knz h ASN 121 N 0.58 0.00 0.56 -0.43 2.35 0.23 0.28 115.58 119.14 1knz h ASN 121 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1knz h ASN 121 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1knz h ASN 121 CO 0.02 0.04 -0.28 0.00 -1.65 0.00 0.00 177.43 175.56 1knz n ALA 122 N -2.33 3.06 -0.00 -0.83 0.00 -1.13 -4.16 120.51 115.11 1knz n ALA 122 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1knz n ALA 122 Cb 0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1knz n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1knz s PHE 124 N -2.01 1.48 -0.04 0.00 0.40 0.02 -4.66 117.98 113.16 1knz s PHE 124 Ca -0.00 -0.49 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1knz s PHE 124 Cb 0.00 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 1knz s PHE 124 CO 0.01 0.15 -0.23 0.45 0.70 0.00 0.00 175.22 176.31 1knz s SER 125 N -2.15 2.74 -0.22 1.36 0.15 -0.25 -4.57 113.70 110.78 1knz s SER 125 Ca 0.06 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.19 1knz s SER 125 Cb -0.08 -0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 63.56 1knz s SER 125 CO 0.03 0.23 0.07 -0.69 1.20 0.00 0.00 173.24 174.08 1knz s VAL 126 N -0.22 4.56 0.45 4.45 1.01 -1.26 -0.57 120.40 128.82 1knz s VAL 126 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1knz s VAL 126 Cb -0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1knz s VAL 126 CO 0.02 0.40 0.11 -1.59 0.00 0.00 0.00 175.10 174.04 1knz s LYS 127 N 0.99 2.05 -0.13 2.72 -2.85 0.11 -4.98 119.74 117.66 1knz s LYS 127 Ca 0.04 -2.29 -0.06 0.00 -1.00 0.00 0.00 55.97 52.66 1knz s LYS 127 Cb -0.14 -0.78 0.06 0.00 -2.06 0.00 0.00 37.83 34.90 1knz s LYS 127 CO 0.03 -0.51 0.29 0.50 0.10 0.00 0.00 175.35 175.76 1knz s ARG 128 N -3.71 0.22 -0.15 1.78 3.52 -1.26 -1.02 118.95 118.33 1knz s ARG 128 Ca 0.17 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 1knz s ARG 128 Cb 0.01 -0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.33 1knz s ARG 128 CO 0.12 -0.20 1.22 0.42 -0.81 0.00 0.00 175.30 176.04 1knz s ILE 129 N 1.72 4.34 -0.00 4.11 1.01 -1.26 -4.92 121.20 126.19 1knz s ILE 129 Ca -0.06 1.62 -0.37 0.00 0.00 0.00 0.00 60.65 61.85 1knz s ILE 129 Cb -0.11 -4.05 -0.18 0.00 0.01 0.00 0.00 42.46 38.13 1knz s ILE 129 CO -0.09 -0.12 0.99 -2.65 0.00 0.00 0.00 174.94 173.06 1knz n PRO 130 N 6.30 0.00 0.00 2.79 -0.02 -1.26 -0.96 135.00 141.85 1knz n PRO 130 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1knz n PRO 130 Cb 0.45 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1knz n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1knz n GLY 131 N 1.38 2.31 3.88 -1.23 0.00 -1.26 -5.03 105.19 105.25 1knz n GLY 131 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1knz n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1knz s LYS 132 N -0.29 3.72 0.05 1.61 1.02 -0.13 -4.72 119.74 121.00 1knz s LYS 132 Ca 0.00 0.11 0.19 0.00 0.02 0.00 0.00 55.97 56.29 1knz s LYS 132 Cb 0.00 -2.77 -0.15 0.00 -0.52 0.00 0.00 37.83 34.38 1knz s LYS 132 CO 0.00 0.41 0.73 -1.13 -0.92 0.00 0.00 175.35 174.44 1knz n SER 133 N 0.07 0.60 -3.62 2.83 3.41 -1.26 -4.83 113.62 110.80 1knz n SER 133 Ca -0.02 0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.62 1knz n SER 133 Cb 0.52 0.69 0.15 0.00 -0.26 0.00 0.00 64.21 65.31 1knz n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1knz n SER 134 N -2.69 0.28 -4.62 4.04 3.41 -1.26 -4.76 113.62 108.02 1knz n SER 134 Ca -0.09 -1.49 -0.31 0.00 -0.26 0.00 0.00 58.87 56.72 1knz n SER 134 Cb 0.75 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 1knz n SER 134 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1knz s SER 135 N -4.76 3.82 -0.05 4.04 1.04 -1.26 -4.68 113.70 111.84 1knz s SER 135 Ca 0.59 -1.64 0.02 0.00 0.48 0.00 0.00 55.95 55.40 1knz s SER 135 Cb -0.02 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1knz s SER 135 CO 0.41 -0.84 -0.10 -0.63 0.98 0.00 0.00 173.24 173.06 1knz s ILE 136 N -2.94 0.91 -0.16 -1.02 -1.09 -0.19 -4.93 121.20 111.78 1knz s ILE 136 Ca 0.11 -0.36 -0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1knz s ILE 136 Cb 0.02 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 40.02 1knz s ILE 136 CO 0.06 0.30 0.01 -0.63 -1.23 0.00 0.00 174.94 173.45 1knz s ILE 137 N 0.63 4.32 -0.05 2.92 1.01 -1.26 0.04 121.20 128.81 1knz s ILE 137 Ca -0.12 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1knz s ILE 137 Cb -0.14 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1knz s ILE 137 CO 0.02 0.49 -0.25 -0.54 0.00 0.00 0.00 174.94 174.66 1knz s LYS 138 N 0.28 2.49 0.15 2.79 3.01 0.26 -4.97 119.74 123.76 1knz s LYS 138 Ca 0.00 -0.90 -0.03 0.00 -1.01 0.00 0.00 55.97 54.03 1knz s LYS 138 Cb -0.13 -2.15 0.01 0.00 -1.01 0.00 0.00 37.83 34.55 1knz s LYS 138 CO 0.02 0.41 0.25 0.00 0.51 0.00 0.00 175.35 176.54 1knz s THR 140 N -2.61 4.71 0.24 0.00 -4.23 -1.26 -4.90 115.64 107.59 1knz s THR 140 Ca 0.10 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 1knz s THR 140 Cb -0.01 -3.83 0.11 0.00 1.34 0.00 0.00 72.50 70.11 1knz s THR 140 CO 0.07 -0.93 1.74 0.07 -0.54 0.00 0.00 174.62 175.03 1knz h LYS 141 N -0.04 0.88 -0.33 3.99 -0.00 -2.02 0.10 116.57 119.16 1knz h LYS 141 Ca -0.46 -0.24 0.06 0.00 -0.00 0.00 0.00 60.65 60.02 1knz h LYS 141 Cb 1.20 -0.10 -0.06 0.00 -0.00 0.00 0.00 32.23 33.27 1knz h LYS 141 CO 0.62 0.86 -0.07 1.37 -0.00 0.00 0.00 179.45 182.23 1knz h LEU 142 N 0.82 -0.27 0.11 7.07 8.10 -1.99 0.46 115.31 129.61 1knz h LEU 142 Ca 0.16 0.09 -0.01 0.00 0.11 0.00 0.00 57.88 58.24 1knz h LEU 142 Cb 0.46 0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1knz h LEU 142 CO 0.02 -0.09 -0.05 -0.03 -4.11 0.00 0.00 178.44 174.17 1knz h MET 143 N 0.02 -0.15 -0.12 0.17 1.85 -1.86 -0.94 114.93 113.91 1knz h MET 143 Ca 0.16 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.28 1knz h MET 143 Cb 0.24 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.24 1knz h MET 143 CO -0.32 0.14 -0.48 0.00 -0.40 0.00 0.00 176.91 175.84 1knz h ARG 144 N -0.43 -0.50 -0.75 0.39 2.47 -0.18 0.89 114.38 116.28 1knz h ARG 144 Ca -0.02 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.82 1knz h ARG 144 Cb 0.35 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.72 1knz h ARG 144 CO 0.03 -0.33 0.41 0.38 0.56 0.00 0.00 179.97 181.01 1knz h ASP 145 N -0.52 0.57 -0.83 7.04 2.03 -0.14 0.51 116.42 125.08 1knz h ASP 145 Ca 0.03 0.05 -0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1knz h ASP 145 Cb 0.60 -0.06 -0.04 0.00 -0.83 0.00 0.00 39.33 39.00 1knz h ASP 145 CO -0.38 0.34 0.51 0.07 -1.03 0.00 0.00 179.24 178.74 1knz h LYS 146 N 0.70 1.12 0.01 4.15 -0.00 -0.12 -2.49 116.57 119.95 1knz h LYS 146 Ca 0.36 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.65 60.91 1knz h LYS 146 Cb 0.32 -0.24 0.00 0.00 -0.00 0.00 0.00 32.23 32.31 1knz h LYS 146 CO -0.24 0.78 -0.00 -0.07 -0.00 0.00 0.00 179.45 179.92 1knz h LEU 147 N 1.14 -0.01 -4.58 7.07 3.38 0.29 -2.98 115.31 119.62 1knz h LEU 147 Ca 0.30 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1knz h LEU 147 Cb -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1knz h LEU 147 CO -0.06 0.14 0.57 -0.62 0.09 0.00 0.00 178.44 178.56 1knz n GLU 148 N -5.02 1.53 0.00 1.13 1.02 0.16 -1.57 120.64 117.89 1knz n GLU 148 Ca -0.08 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 1knz n GLU 148 Cb 0.10 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 1knz n GLU 148 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1knz n ARG 149 N 2.99 0.00 -1.53 3.49 0.00 -1.14 -4.92 116.66 115.55 1knz n ARG 149 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1knz n ARG 149 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.95 1knz n ARG 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1knz n GLY 150 N -0.46 0.39 3.35 2.89 0.00 -0.61 -5.13 105.19 105.63 1knz n GLY 150 Ca 0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1knz n GLY 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1knz n GLU 151 N 0.00 -0.08 -3.74 1.61 -0.00 -1.26 -4.43 120.64 112.73 1knz n GLU 151 Ca 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 57.16 57.05 1knz n GLU 151 Cb 0.00 -1.68 -0.13 0.00 -0.00 0.00 0.00 31.44 29.63 1knz n GLU 151 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1knz s VAL 152 N -2.19 -0.03 0.11 3.84 1.01 -1.26 -4.90 120.40 116.98 1knz s VAL 152 Ca 0.56 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1knz s VAL 152 Cb -0.25 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1knz s VAL 152 CO 0.68 0.05 0.43 -1.83 0.00 0.00 0.00 175.10 174.42 1knz s GLU 153 N 0.99 3.76 -0.06 2.72 1.03 -1.26 -5.02 118.70 120.87 1knz s GLU 153 Ca -0.07 0.18 0.07 0.00 0.03 0.00 0.00 54.97 55.17 1knz s GLU 153 Cb -0.08 -2.92 -0.09 0.00 -0.80 0.00 0.00 34.13 30.23 1knz s GLU 153 CO -0.06 0.51 0.05 0.28 -1.33 0.00 0.00 175.26 174.71 1knz n VAL 154 N 0.63 0.39 -0.88 1.83 0.31 -1.26 -5.12 118.33 114.24 1knz n VAL 154 Ca -0.06 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1knz n VAL 154 Cb 0.52 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1knz n VAL 154 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1knz n ASP 155 N -2.16 -2.34 0.18 4.52 8.00 -1.26 -4.45 116.55 119.03 1knz n ASP 155 Ca -0.10 0.08 0.18 0.00 0.71 0.00 0.00 54.79 55.66 1knz n ASP 155 Cb 0.62 -1.19 0.74 0.00 -0.02 0.00 0.00 41.12 41.27 1knz n ASP 155 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1knz h ASP 156 N 0.20 0.00 0.26 -2.24 2.03 -2.01 -1.87 116.42 112.78 1knz h ASP 156 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1knz h ASP 156 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1knz h ASP 156 CO 0.00 0.00 -0.12 0.28 -1.03 0.00 0.00 179.24 178.37 1knz h SER 157 N 0.00 -0.29 -0.45 4.15 0.02 -2.00 -2.91 113.55 112.06 1knz h SER 157 Ca 0.13 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1knz h SER 157 Cb 1.02 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.56 1knz h SER 157 CO -0.00 0.02 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.44 1knz h PHE 158 N -0.63 -0.05 0.05 3.45 0.04 -1.55 0.04 116.94 118.28 1knz h PHE 158 Ca -0.04 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1knz h PHE 158 Cb 0.45 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 1knz h PHE 158 CO 0.01 -0.11 -0.40 0.28 -0.60 0.00 0.00 178.31 177.50 1knz h VAL 159 N 0.10 0.19 -1.00 -0.55 2.07 -1.58 -1.04 116.25 114.43 1knz h VAL 159 Ca 0.22 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.88 1knz h VAL 159 Cb 0.33 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.20 1knz h VAL 159 CO -0.38 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.27 1knz h ASP 160 N -0.58 0.88 0.00 0.57 3.32 -1.23 0.63 116.42 120.01 1knz h ASP 160 Ca 0.04 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1knz h ASP 160 Cb 0.64 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1knz h ASP 160 CO -0.28 0.43 0.15 -0.33 -1.72 0.00 0.00 179.24 177.49 1knz h GLU 161 N 0.93 0.00 -0.00 3.56 3.07 0.35 0.33 114.58 122.81 1knz h GLU 161 Ca 0.52 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1knz h GLU 161 Cb 0.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1knz h GLU 161 CO -0.30 0.00 -0.49 0.36 -1.40 0.00 0.00 179.01 177.18 1knz n LYS 162 N -2.38 1.59 -0.79 2.33 -0.00 0.22 -5.08 118.16 114.04 1knz n LYS 162 Ca -0.02 -3.30 0.00 0.00 -0.00 0.00 0.00 58.31 54.99 1knz n LYS 162 Cb 0.18 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 33.59 1knz n LYS 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28