#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1knz n SER 3 N 0.00 1.46 -0.51 1.61 3.41 -1.26 -2.40 113.62 115.93 1knz n SER 3 Ca 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1knz n SER 3 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1knz n SER 3 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1knz n MET 4 N -0.00 0.34 -0.50 4.33 2.81 -1.26 -1.06 117.12 121.78 1knz n MET 4 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1knz n MET 4 Cb 0.12 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1knz n MET 4 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1knz n GLU 5 N 0.34 0.00 -0.23 0.03 1.02 -1.26 -4.85 120.64 115.68 1knz n GLU 5 Ca 0.00 -0.88 0.01 0.00 -0.02 0.00 0.00 57.16 56.27 1knz n GLU 5 Cb 0.09 -0.44 0.12 0.00 -0.02 0.00 0.00 31.44 31.19 1knz n GLU 5 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1knz h SER 6 N 0.00 0.42 -0.31 1.62 4.64 -1.46 -1.04 113.55 117.43 1knz h SER 6 Ca 0.00 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1knz h SER 6 Cb 1.35 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1knz h SER 6 CO 0.00 0.25 -0.03 0.74 -0.87 0.00 0.00 176.83 176.92 1knz h THR 7 N 0.57 1.27 -0.55 2.95 2.02 -1.87 -1.71 112.91 115.59 1knz h THR 7 Ca 0.33 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1knz h THR 7 Cb 0.34 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1knz h THR 7 CO -0.26 0.33 0.28 -0.61 0.37 0.00 0.00 175.52 175.63 1knz h GLN 8 N 0.35 0.78 -0.46 6.66 4.15 -1.68 0.89 115.11 125.80 1knz h GLN 8 Ca 0.08 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1knz h GLN 8 Cb 0.49 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1knz h GLN 8 CO 0.02 0.63 0.29 1.96 -1.93 0.00 0.00 178.83 179.80 1knz h GLN 9 N 0.74 0.61 -0.64 1.69 4.20 -1.11 -1.65 115.11 118.95 1knz h GLN 9 Ca 0.19 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1knz h GLN 9 Cb 0.09 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1knz h GLN 9 CO -0.03 0.43 0.17 1.98 -0.67 0.00 0.00 178.83 180.71 1knz h MET 10 N 0.62 0.99 0.00 1.46 4.05 -0.99 -2.82 114.93 118.24 1knz h MET 10 Ca 0.17 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1knz h MET 10 Cb -0.04 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 1knz h MET 10 CO -0.03 0.87 -0.31 0.00 0.23 0.00 0.00 176.91 177.67 1knz h ALA 11 N 1.23 1.25 0.00 0.39 0.00 -0.18 -2.77 119.26 119.18 1knz h ALA 11 Ca 0.21 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1knz h ALA 11 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1knz h ALA 11 CO -0.00 0.38 -0.43 0.28 0.00 0.00 0.00 179.25 179.48 1knz h VAL 12 N 0.00 0.97 0.00 0.00 2.07 -1.06 -2.75 116.25 115.49 1knz h VAL 12 Ca -0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1knz h VAL 12 Cb 0.64 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1knz h VAL 12 CO 0.04 0.42 0.00 0.77 0.02 0.00 0.00 177.57 178.82 1knz h SER 13 N 0.00 0.00 -0.13 0.57 4.64 -1.45 0.16 113.55 117.34 1knz h SER 13 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1knz h SER 13 Cb 0.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1knz h SER 13 CO 0.06 0.00 -0.72 0.40 -0.87 0.00 0.00 176.83 175.70 1knz h ILE 14 N 0.00 1.30 0.09 0.95 2.04 -1.60 -0.64 117.51 119.65 1knz h ILE 14 Ca 0.00 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 63.91 1knz h ILE 14 Cb 0.30 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1knz h ILE 14 CO 0.00 0.61 -0.04 0.40 0.00 0.00 0.00 178.15 179.12 1knz h ILE 15 N 0.42 1.03 -0.79 -0.67 5.03 -1.43 -3.06 117.51 118.04 1knz h ILE 15 Ca -0.05 -1.43 0.03 0.00 -0.12 0.00 0.00 64.86 63.29 1knz h ILE 15 Cb 1.35 1.81 -0.05 0.00 -3.03 0.00 0.00 36.82 36.90 1knz h ILE 15 CO 0.15 0.30 0.50 0.78 -0.68 0.00 0.00 178.15 179.20 1knz h ASN 16 N -0.89 0.83 0.02 1.72 2.35 -0.82 -1.92 115.58 116.87 1knz h ASN 16 Ca -0.01 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1knz h ASN 16 Cb 0.58 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1knz h ASN 16 CO 0.02 0.57 -0.37 0.28 -1.65 0.00 0.00 177.43 176.28 1knz h SER 17 N 0.98 0.49 -0.53 5.81 0.02 -1.25 -1.87 113.55 117.21 1knz h SER 17 Ca 0.32 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1knz h SER 17 Cb 0.02 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1knz h SER 17 CO -0.12 0.82 0.11 0.28 -1.14 0.00 0.00 176.83 176.78 1knz h SER 18 N 0.40 0.81 -0.53 3.07 0.02 -1.37 0.10 113.55 116.06 1knz h SER 18 Ca 0.04 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1knz h SER 18 Cb 0.82 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1knz h SER 18 CO 0.07 0.85 0.35 0.15 -1.14 0.00 0.00 176.83 177.10 1knz h PHE 19 N 0.74 0.66 -0.48 3.45 3.57 -1.17 -1.08 116.94 122.63 1knz h PHE 19 Ca 0.16 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1knz h PHE 19 Cb 0.36 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1knz h PHE 19 CO 0.03 0.41 -0.03 0.93 -2.23 0.00 0.00 178.31 177.41 1knz h GLU 20 N 0.71 0.83 -0.80 1.11 4.39 -1.06 -1.68 114.58 118.08 1knz h GLU 20 Ca 0.20 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1knz h GLU 20 Cb -0.08 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 1knz h GLU 20 CO -0.05 0.85 0.40 0.00 -1.16 0.00 0.00 179.01 179.05 1knz h ALA 21 N 1.19 1.03 -0.49 3.43 0.00 -0.24 -2.06 119.26 122.13 1knz h ALA 21 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1knz h ALA 21 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1knz h ALA 21 CO 0.03 0.58 -0.13 0.00 0.00 0.00 0.00 179.25 179.73 1knz h ALA 22 N 1.21 0.67 -0.37 0.00 0.00 -0.82 -1.08 119.26 118.87 1knz h ALA 22 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1knz h ALA 22 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1knz h ALA 22 CO -0.04 0.59 0.22 0.28 0.00 0.00 0.00 179.25 180.31 1knz h VAL 23 N 0.80 1.13 -0.23 0.00 2.07 -1.08 -1.66 116.25 117.27 1knz h VAL 23 Ca 0.12 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1knz h VAL 23 Cb 0.69 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1knz h VAL 23 CO 0.05 0.13 0.13 0.58 0.02 0.00 0.00 177.57 178.47 1knz h VAL 24 N 0.49 1.11 -0.36 2.57 2.07 -1.24 -0.96 116.25 119.94 1knz h VAL 24 Ca 0.13 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1knz h VAL 24 Cb 0.01 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1knz h VAL 24 CO -0.02 0.11 0.17 0.00 0.02 0.00 0.00 177.57 177.85 1knz h ALA 25 N 1.01 0.43 0.66 1.67 0.00 -1.03 0.32 119.26 122.32 1knz h ALA 25 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1knz h ALA 25 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1knz h ALA 25 CO -0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 179.25 178.72 1knz h ALA 26 N 1.19 -0.89 -0.59 0.00 0.00 -1.15 -0.49 119.26 117.33 1knz h ALA 26 Ca 0.15 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1knz h ALA 26 Cb 0.07 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1knz h ALA 26 CO -0.11 -0.90 0.36 1.79 0.00 0.00 0.00 179.25 180.39 1knz h THR 27 N -1.09 1.06 -0.58 0.00 1.35 -1.16 -2.28 112.91 110.22 1knz h THR 27 Ca -0.09 -0.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.50 1knz h THR 27 Cb 0.72 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 1knz h THR 27 CO 0.15 0.13 0.26 -1.28 -0.25 0.00 0.00 175.52 174.53 1knz h SER 28 N 0.71 0.77 -0.25 5.36 0.87 -0.94 -1.14 113.55 118.92 1knz h SER 28 Ca 0.24 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1knz h SER 28 Cb 0.03 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1knz h SER 28 CO -0.10 0.70 0.14 0.00 -0.53 0.00 0.00 176.83 177.03 1knz h ALA 29 N 1.10 0.31 -0.61 6.23 0.00 -0.67 -0.39 119.26 125.22 1knz h ALA 29 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1knz h ALA 29 Cb 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1knz h ALA 29 CO -0.02 -0.26 0.37 -0.07 0.00 0.00 0.00 179.25 179.27 1knz h LEU 30 N 0.28 0.73 -1.10 0.00 3.38 -1.31 -2.41 115.31 114.88 1knz h LEU 30 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1knz h LEU 30 Cb 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1knz h LEU 30 CO -0.06 0.57 0.51 -0.08 0.09 0.00 0.00 178.44 179.47 1knz h GLU 31 N 0.82 1.12 0.00 1.13 4.81 -0.71 -0.70 114.58 121.06 1knz h GLU 31 Ca 0.22 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1knz h GLU 31 Cb -0.02 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1knz h GLU 31 CO -0.04 0.78 0.00 -0.91 -0.73 0.00 0.00 179.01 178.11 1knz h ASN 32 N 1.15 0.00 0.51 1.04 2.35 -0.72 -1.56 115.58 118.36 1knz h ASN 32 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1knz h ASN 32 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1knz h ASN 32 CO -0.06 0.00 -0.27 0.23 -1.65 0.00 0.00 177.43 175.68 1knz n MET 33 N -2.67 0.31 0.00 0.81 2.81 -0.31 -4.92 117.12 113.16 1knz n MET 33 Ca 0.02 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1knz n MET 33 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.42 2.52 3.75 3.03 0.00 -0.59 -5.01 105.19 110.32 1knz n GLY 34 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.19 2.30 0.29 -0.61 1.09 -1.03 -4.97 121.20 116.08 1knz s ILE 35 Ca 0.00 0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 59.60 1knz s ILE 35 Cb 0.00 -3.17 -0.09 0.00 -1.06 0.00 0.00 42.46 38.14 1knz s ILE 35 CO 0.00 0.05 0.83 -1.83 -0.10 0.00 0.00 174.94 173.89 1knz s GLU 36 N -0.81 4.34 0.16 2.79 1.03 -1.26 -4.25 118.70 120.70 1knz s GLU 36 Ca 0.59 1.04 -0.18 0.00 0.03 0.00 0.00 54.97 56.45 1knz s GLU 36 Cb -0.45 -2.72 0.04 0.00 -0.80 0.00 0.00 34.13 30.20 1knz s GLU 36 CO 0.49 0.28 0.50 1.52 -1.33 0.00 0.00 175.26 176.72 1knz s TYR 37 N -1.68 -0.26 -0.30 4.83 -0.85 -1.26 -5.08 117.35 112.75 1knz s TYR 37 Ca 0.49 -0.04 -0.11 0.00 -0.52 0.00 0.00 57.07 56.88 1knz s TYR 37 Cb -0.16 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 1knz s TYR 37 CO 0.21 -0.82 0.20 0.34 -1.52 0.00 0.00 175.55 173.96 1knz s ASP 38 N -2.82 5.97 0.21 -0.18 2.15 -1.26 -4.99 116.67 115.75 1knz s ASP 38 Ca 0.05 -0.18 -0.12 0.00 0.43 0.00 0.00 52.55 52.73 1knz s ASP 38 Cb 0.00 -2.11 0.26 0.00 -0.30 0.00 0.00 42.92 40.77 1knz s ASP 38 CO -0.09 -0.12 1.66 0.22 -0.17 0.00 0.00 175.17 176.67 1knz h TYR 39 N 8.40 -0.12 -0.71 -5.34 3.20 -2.00 -0.72 116.97 119.68 1knz h TYR 39 Ca -0.34 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 1knz h TYR 39 Cb 1.18 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 1knz h TYR 39 CO 0.72 -0.19 0.41 1.96 -1.64 0.00 0.00 178.16 179.41 1knz h GLN 40 N 0.08 0.96 0.00 1.82 7.50 -1.98 0.12 115.11 123.62 1knz h GLN 40 Ca 0.30 -0.09 -0.00 0.00 0.50 0.00 0.00 58.65 59.36 1knz h GLN 40 Cb 0.48 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1knz h GLN 40 CO -0.54 0.69 -0.00 0.22 -1.50 0.00 0.00 178.83 177.70 1knz h ASP 41 N 0.98 -0.01 -0.71 1.46 1.82 -1.58 0.21 116.42 118.59 1knz h ASP 41 Ca 0.25 -0.24 -0.07 0.00 -0.39 0.00 0.00 57.03 56.58 1knz h ASP 41 Cb -0.01 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 1knz h ASP 41 CO -0.04 0.24 0.17 0.40 -1.61 0.00 0.00 179.24 178.40 1knz h ILE 42 N -0.25 1.26 -0.14 2.25 1.08 -1.21 -0.72 117.51 119.79 1knz h ILE 42 Ca -0.00 -0.98 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1knz h ILE 42 Cb 0.25 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 1knz h ILE 42 CO 0.00 0.38 0.04 0.22 -0.69 0.00 0.00 178.15 178.10 1knz h TYR 43 N 1.08 0.07 -0.73 1.37 3.20 -0.82 -0.53 116.97 120.63 1knz h TYR 43 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1knz h TYR 43 Cb 0.37 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1knz h TYR 43 CO 0.03 0.03 0.34 1.03 -1.64 0.00 0.00 178.16 177.95 1knz h SER 44 N 0.11 0.96 -0.34 -2.11 0.87 -0.35 -1.63 113.55 111.06 1knz h SER 44 Ca 0.06 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1knz h SER 44 Cb 0.04 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1knz h SER 44 CO -0.07 0.83 0.14 0.03 -0.53 0.00 0.00 176.83 177.24 1knz h ARG 45 N 1.02 0.50 -0.48 2.24 3.08 -0.80 -1.45 114.38 118.49 1knz h ARG 45 Ca 0.25 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1knz h ARG 45 Cb 0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1knz h ARG 45 CO -0.03 0.48 0.28 0.28 -1.07 0.00 0.00 179.97 179.92 1knz h VAL 46 N 0.40 1.05 -0.73 2.04 2.07 -0.90 -2.59 116.25 117.59 1knz h VAL 46 Ca 0.11 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1knz h VAL 46 Cb 0.16 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1knz h VAL 46 CO -0.01 0.10 0.36 0.50 0.02 0.00 0.00 177.57 178.54 1knz h LYS 47 N 0.57 1.04 -0.23 1.57 3.64 -1.12 0.87 116.57 122.90 1knz h LYS 47 Ca 0.19 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1knz h LYS 47 Cb 0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1knz h LYS 47 CO -0.09 0.81 0.11 -0.91 -2.27 0.00 0.00 179.45 177.10 1knz h ASN 48 N 1.02 0.15 0.08 4.20 2.35 -1.02 0.44 115.58 122.80 1knz h ASN 48 Ca 0.25 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1knz h ASN 48 Cb 0.10 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1knz h ASN 48 CO -0.03 0.12 -0.04 0.50 -1.65 0.00 0.00 177.43 176.33 1knz h LYS 49 N 0.23 -0.11 -0.35 0.81 1.63 -1.34 -2.68 116.57 114.76 1knz h LYS 49 Ca 0.10 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1knz h LYS 49 Cb 0.03 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1knz h LYS 49 CO -0.07 0.42 0.18 0.35 -3.45 0.00 0.00 179.45 176.88 1knz h PHE 50 N -0.77 0.34 -0.79 1.91 3.57 -0.84 -2.55 116.94 117.82 1knz h PHE 50 Ca -0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1knz h PHE 50 Cb 0.58 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1knz h PHE 50 CO 0.12 0.19 0.30 -0.44 -2.23 0.00 0.00 178.31 176.24 1knz h ASP 51 N 0.38 1.11 -0.65 0.41 3.32 -0.22 -2.23 116.42 118.54 1knz h ASP 51 Ca 0.15 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1knz h ASP 51 Cb 0.05 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1knz h ASP 51 CO -0.09 0.99 0.35 0.15 -1.72 0.00 0.00 179.24 178.91 1knz h PHE 52 N 1.16 0.90 0.02 4.55 3.57 -1.20 0.19 116.94 126.14 1knz h PHE 52 Ca 0.26 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1knz h PHE 52 Cb 0.24 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1knz h PHE 52 CO 0.02 0.65 -0.01 0.28 -2.23 0.00 0.00 178.31 177.02 1knz h VAL 53 N 0.89 1.42 0.01 1.41 2.07 -1.36 -3.26 116.25 117.42 1knz h VAL 53 Ca 0.23 -1.46 -0.16 0.00 0.82 0.00 0.00 66.70 66.13 1knz h VAL 53 Cb 0.06 2.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1knz h VAL 53 CO -0.03 0.37 -0.62 0.24 0.02 0.00 0.00 177.57 177.55 1knz h MET 54 N -0.68 0.40 -1.50 1.57 2.86 -1.45 -3.33 114.93 112.81 1knz h MET 54 Ca -0.00 -0.45 -0.35 0.00 -2.06 0.00 0.00 59.70 56.84 1knz h MET 54 Cb 0.63 0.13 -0.15 0.00 0.06 0.00 0.00 31.60 32.27 1knz h MET 54 CO 0.01 1.11 0.45 -3.47 1.06 0.00 0.00 176.91 176.07 1knz n ASP 55 N -4.21 6.57 0.00 1.22 2.03 0.66 -1.83 116.55 120.99 1knz n ASP 55 Ca -0.11 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.08 1knz n ASP 55 Cb 0.68 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 1knz n ASP 55 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1knz n ASP 56 N 0.27 0.00 0.00 1.67 9.92 -1.23 -4.82 116.55 122.36 1knz n ASP 56 Ca 0.33 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1knz n ASP 56 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1knz n ASP 56 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1knz n SER 57 N 0.00 0.00 -1.64 -2.24 3.41 -1.25 -4.73 113.62 107.18 1knz n SER 57 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1knz n SER 57 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1knz n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1knz n GLY 58 N 0.00 0.31 2.75 5.00 0.00 -1.24 -4.95 105.19 107.05 1knz n GLY 58 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1knz n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1knz n VAL 59 N -3.58 3.79 0.01 1.61 0.31 -0.76 -3.61 118.33 116.10 1knz n VAL 59 Ca -0.01 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.09 1knz n VAL 59 Cb 0.53 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1knz n VAL 59 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1knz n LYS 60 N -0.33 0.00 -0.07 5.55 4.81 -1.25 -4.72 118.16 122.15 1knz n LYS 60 Ca 0.42 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.87 1knz n LYS 60 Cb 0.39 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.75 1knz n LYS 60 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1knz h ASN 61 N 0.00 0.61 -0.08 3.14 -1.24 -1.86 0.30 115.58 116.46 1knz h ASN 61 Ca 0.00 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 56.88 1knz h ASN 61 Cb 0.00 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.90 1knz h ASN 61 CO 0.00 0.52 -0.27 -1.13 -1.29 0.00 0.00 177.43 175.27 1knz h ASN 62 N 0.69 0.37 -0.54 1.15 -0.73 -1.90 0.31 115.58 114.93 1knz h ASN 62 Ca 0.17 -0.62 -0.04 0.00 1.87 0.00 0.00 56.30 57.68 1knz h ASN 62 Cb 0.07 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 1knz h ASN 62 CO -0.02 0.93 0.18 -0.65 -0.37 0.00 0.00 177.43 177.49 1knz h PRO 63 N -0.17 0.83 -0.42 6.67 0.11 -1.74 -1.94 132.00 135.34 1knz h PRO 63 Ca -0.01 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 1knz h PRO 63 Cb 0.90 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1knz h PRO 63 CO 0.06 0.76 0.12 0.82 -0.21 0.00 0.00 178.00 179.54 1knz h ILE 64 N 0.74 1.23 -0.81 4.15 5.03 -0.47 -1.96 117.51 125.42 1knz h ILE 64 Ca 0.17 -0.76 0.11 0.00 -0.12 0.00 0.00 64.86 64.26 1knz h ILE 64 Cb 0.27 0.92 -0.08 0.00 -3.03 0.00 0.00 36.82 34.90 1knz h ILE 64 CO -0.01 0.27 0.44 1.23 -0.68 0.00 0.00 178.15 179.40 1knz h GLY 65 N 0.54 1.26 1.03 5.37 0.00 -0.65 0.11 103.07 110.74 1knz h GLY 65 Ca 0.13 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1knz h GLY 65 CO -0.00 0.07 -0.20 0.50 0.00 0.00 0.00 176.54 176.91 1knz h LYS 66 N 0.71 0.84 -0.70 4.80 1.57 -1.13 -1.89 116.57 120.77 1knz h LYS 66 Ca 0.40 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1knz h LYS 66 Cb 0.44 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1knz h LYS 66 CO -0.28 1.01 0.39 0.00 -0.57 0.00 0.00 179.45 180.00 1knz h ALA 67 N 0.81 0.90 -0.70 3.86 0.00 -0.54 -0.68 119.26 122.91 1knz h ALA 67 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1knz h ALA 67 Cb 0.76 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1knz h ALA 67 CO 0.06 0.40 0.28 0.82 0.00 0.00 0.00 179.25 180.81 1knz h ILE 68 N 0.96 1.25 -0.87 0.00 2.04 -0.65 0.28 117.51 120.52 1knz h ILE 68 Ca 0.25 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1knz h ILE 68 Cb 0.02 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1knz h ILE 68 CO -0.04 0.31 0.54 0.74 0.00 0.00 0.00 178.15 179.70 1knz h THR 69 N 1.00 1.23 -0.29 -0.27 2.02 -0.84 -0.87 112.91 114.89 1knz h THR 69 Ca 0.23 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 1knz h THR 69 Cb 0.21 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1knz h THR 69 CO -0.02 0.24 -0.30 0.40 0.37 0.00 0.00 175.52 176.21 1knz h ILE 70 N 1.19 1.30 -0.21 3.11 2.04 -0.29 -2.80 117.51 121.85 1knz h ILE 70 Ca 0.31 -1.47 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1knz h ILE 70 Cb -0.08 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1knz h ILE 70 CO -0.06 0.47 -0.13 0.44 0.00 0.00 0.00 178.15 178.87 1knz h ASP 71 N 0.47 0.33 -0.48 1.72 3.32 0.01 -1.82 116.42 119.97 1knz h ASP 71 Ca 0.05 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1knz h ASP 71 Cb 0.87 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1knz h ASP 71 CO 0.07 0.50 -0.03 1.56 -1.72 0.00 0.00 179.24 179.62 1knz h GLN 72 N 0.32 0.86 -0.64 3.56 4.20 -1.11 0.32 115.11 122.63 1knz h GLN 72 Ca 0.06 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 1knz h GLN 72 Cb 0.43 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1knz h GLN 72 CO 0.03 0.92 0.08 0.00 -0.67 0.00 0.00 178.83 179.19 1knz h ALA 73 N 0.91 0.94 -0.20 3.87 0.00 -1.22 -2.86 119.26 120.71 1knz h ALA 73 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1knz h ALA 73 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1knz h ALA 73 CO 0.03 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.78 1knz h LEU 74 N 0.99 0.41-10.00 0.00 3.38 -1.14 -3.52 115.31 105.42 1knz h LEU 74 Ca 0.19 -0.40 -0.54 0.00 0.09 0.00 0.00 57.88 57.22 1knz h LEU 74 Cb 0.45 -0.11 0.12 0.00 0.09 0.00 0.00 40.66 41.20 1knz h LEU 74 CO 0.02 0.72 0.65 0.20 0.09 0.00 0.00 178.44 180.12 1knz s ASN 75 N -6.05 5.78 0.00 -0.43 0.02 0.11 -5.10 114.94 109.27 1knz s ASN 75 Ca -0.14 2.81 0.00 0.00 -1.02 0.00 0.00 52.86 54.51 1knz s ASN 75 Cb 0.06 -2.64 0.00 0.00 0.02 0.00 0.00 41.25 38.69 1knz s ASN 75 CO 0.75 -1.23 0.00 -0.90 0.02 0.00 0.00 177.10 175.74 1knz n ASP 90 N -0.40 1.07 -0.00 -1.22 5.68 -1.26 -5.07 116.55 115.34 1knz n ASP 90 Ca 0.06 -0.58 0.04 0.00 -0.50 0.00 0.00 54.79 53.81 1knz n ASP 90 Cb 0.43 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 1knz n ASP 90 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1knz n THR 91 N -0.27 0.00 0.09 2.12 -1.04 -1.01 -4.72 114.28 109.45 1knz n THR 91 Ca 0.00 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 1knz n THR 91 Cb 0.00 0.62 -0.06 0.00 -1.82 0.00 0.00 70.33 69.07 1knz n THR 91 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1knz h SER 92 N 0.00 -0.96 -0.01 8.00 4.64 -1.99 -2.87 113.55 120.37 1knz h SER 92 Ca 0.00 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1knz h SER 92 Cb 0.31 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 1knz h SER 92 CO 0.00 -0.40 -0.20 -0.09 -0.87 0.00 0.00 176.83 175.27 1knz h ARG 93 N -0.52 -0.30 -5.90 4.77 2.43 -1.99 -3.07 114.38 109.79 1knz h ARG 93 Ca 0.04 0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.63 1knz h ARG 93 Cb 0.57 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 30.08 1knz h ARG 93 CO -0.23 -0.20 1.22 -1.25 -1.51 0.00 0.00 179.97 178.00 1knz s PRO 94 N -6.10 3.48 0.00 0.20 0.04 -1.08 -2.12 135.00 129.41 1knz s PRO 94 Ca -0.15 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 59.84 1knz s PRO 94 Cb 0.09 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1knz s PRO 94 CO 0.66 -2.09 0.00 0.00 0.04 0.00 0.00 177.00 175.62 1knz n ALA 95 N 8.46 0.00 -0.08 8.56 0.00 -1.22 -4.85 120.51 131.38 1knz n ALA 95 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 1knz n ALA 95 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1knz n ALA 95 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1knz h LYS 96 N 0.00 0.41 0.00 0.00 1.79 -1.32 0.05 116.57 117.49 1knz h LYS 96 Ca 0.00 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 1knz h LYS 96 Cb 0.00 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 1knz h LYS 96 CO 0.00 0.56 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.64 1knz h LEU 97 N 0.20 0.00 -0.20 2.94 3.38 -1.74 0.58 115.31 120.46 1knz h LEU 97 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1knz h LEU 97 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1knz h LEU 97 CO 0.01 0.23 -0.07 -0.78 0.09 0.00 0.00 178.44 177.92 1knz h ASP 98 N 0.00 0.40 -0.31 -0.43 -0.00 -1.70 -2.27 116.42 112.12 1knz h ASP 98 Ca -0.00 -0.38 -0.05 0.00 -0.00 0.00 0.00 57.03 56.59 1knz h ASP 98 Cb 0.41 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.61 1knz h ASP 98 CO 0.03 0.69 0.03 -0.33 -0.00 0.00 0.00 179.24 179.66 1knz h GLU 99 N 0.10 0.63 -0.16 0.28 5.08 -0.13 -2.66 114.58 117.71 1knz h GLU 99 Ca 0.05 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1knz h GLU 99 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1knz h GLU 99 CO 0.02 0.63 -0.41 -0.44 -1.00 0.00 0.00 179.01 177.82 1knz h ASP 100 N 0.61 0.39 -0.81 1.42 3.32 -0.80 -2.16 116.42 118.38 1knz h ASP 100 Ca 0.13 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1knz h ASP 100 Cb 0.34 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1knz h ASP 100 CO 0.01 0.76 0.50 0.58 -1.72 0.00 0.00 179.24 179.36 1knz h VAL 101 N 0.31 1.22 -0.43 -1.35 2.07 -1.07 0.85 116.25 117.86 1knz h VAL 101 Ca 0.03 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1knz h VAL 101 Cb 0.85 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1knz h VAL 101 CO 0.07 0.23 0.09 0.78 0.02 0.00 0.00 177.57 178.76 1knz h ASN 102 N 1.10 0.66 0.08 0.57 2.35 -1.27 -2.57 115.58 116.50 1knz h ASN 102 Ca 0.29 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1knz h ASN 102 Cb -0.06 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1knz h ASN 102 CO -0.06 0.74 -0.04 0.50 -1.65 0.00 0.00 177.43 176.92 1knz h LYS 103 N 0.56 -0.10 -0.28 0.81 3.64 -0.94 -2.46 116.57 117.81 1knz h LYS 103 Ca 0.13 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1knz h LYS 103 Cb 0.34 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1knz h LYS 103 CO 0.00 0.11 0.10 -0.07 -2.27 0.00 0.00 179.45 177.32 1knz h LEU 104 N -0.29 0.11 -0.39 5.20 3.38 -0.87 0.41 115.31 122.86 1knz h LEU 104 Ca -0.01 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1knz h LEU 104 Cb 0.25 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1knz h LEU 104 CO 0.02 0.10 0.01 0.03 0.09 0.00 0.00 178.44 178.69 1knz h ARG 105 N 0.22 0.12 -0.61 1.13 3.08 -1.45 0.26 114.38 117.13 1knz h ARG 105 Ca 0.12 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1knz h ARG 105 Cb 0.09 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1knz h ARG 105 CO -0.13 0.08 0.18 0.52 -1.07 0.00 0.00 179.97 179.55 1knz h MET 106 N 0.12 0.96 -0.19 0.04 2.86 -1.06 0.52 114.93 118.19 1knz h MET 106 Ca 0.19 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1knz h MET 106 Cb 0.27 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1knz h MET 106 CO -0.31 0.86 0.12 0.52 1.06 0.00 0.00 176.91 179.16 1knz h MET 107 N 0.88 0.25 -0.25 1.72 2.86 -0.39 -0.49 114.93 119.51 1knz h MET 107 Ca 0.20 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1knz h MET 107 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1knz h MET 107 CO -0.00 0.19 0.06 -0.07 1.06 0.00 0.00 176.91 178.14 1knz h LEU 108 N 0.24 0.37 -0.49 1.22 3.38 -0.79 -2.99 115.31 116.25 1knz h LEU 108 Ca 0.07 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1knz h LEU 108 Cb -0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1knz h LEU 108 CO -0.01 0.50 -0.05 -1.28 0.09 0.00 0.00 178.44 177.69 1knz h SER 109 N 0.22 -0.31 0.01 -0.43 0.87 0.36 -0.65 113.55 113.63 1knz h SER 109 Ca 0.08 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1knz h SER 109 Cb 0.27 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1knz h SER 109 CO 0.00 -0.11 -0.01 0.77 -0.53 0.00 0.00 176.83 176.96 1knz h SER 110 N 0.07 0.00 -0.10 6.23 4.64 -0.96 -1.74 113.55 121.69 1knz h SER 110 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1knz h SER 110 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1knz h SER 110 CO -0.45 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 175.81 1knz n LYS 111 N -3.96 1.40 -0.41 4.77 5.02 -0.27 -4.88 118.16 119.83 1knz n LYS 111 Ca -0.03 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1knz n LYS 111 Cb 0.09 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1knz n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1knz n GLY 112 N 0.96 0.79 3.20 0.72 0.00 -0.65 -5.01 105.19 105.20 1knz n GLY 112 Ca 0.14 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1knz n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1knz s ILE 113 N -2.00 4.85 1.27 -0.61 1.01 -1.07 -5.04 121.20 119.60 1knz s ILE 113 Ca 0.00 -3.25 -0.21 0.00 0.00 0.00 0.00 60.65 57.19 1knz s ILE 113 Cb 0.00 -4.01 0.31 0.00 0.01 0.00 0.00 42.46 38.77 1knz s ILE 113 CO 0.00 -1.05 1.07 1.51 0.00 0.00 0.00 174.94 176.47 1knz s ASP 114 N 0.88 0.34 0.22 3.58 1.47 -1.26 -3.66 116.67 118.24 1knz s ASP 114 Ca 0.24 0.64 -0.07 0.00 1.18 0.00 0.00 52.55 54.53 1knz s ASP 114 Cb -0.11 -0.87 0.33 0.00 -0.34 0.00 0.00 42.92 41.93 1knz s ASP 114 CO -0.09 -4.48 1.78 0.06 0.68 0.00 0.00 175.17 173.13 1knz h GLN 115 N -2.82 0.60 -0.71 2.11 3.07 -1.97 -2.07 115.11 113.32 1knz h GLN 115 Ca -0.44 -0.04 0.11 0.00 0.09 0.00 0.00 58.65 58.38 1knz h GLN 115 Cb 1.30 -0.14 -0.08 0.00 0.08 0.00 0.00 27.48 28.65 1knz h GLN 115 CO 0.31 0.40 0.32 0.87 0.09 0.00 0.00 178.83 180.81 1knz h LYS 116 N 0.62 0.50 0.05 0.06 1.79 -1.99 0.29 116.57 117.89 1knz h LYS 116 Ca 0.35 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1knz h LYS 116 Cb 0.35 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1knz h LYS 116 CO -0.26 0.33 -0.02 0.52 -1.08 0.00 0.00 179.45 178.94 1knz h MET 117 N 0.52 -0.07 -0.17 3.15 2.86 -1.77 -2.60 114.93 116.86 1knz h MET 117 Ca 0.37 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.03 1knz h MET 117 Cb 0.46 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1knz h MET 117 CO -0.32 0.33 0.03 0.00 1.06 0.00 0.00 176.91 178.01 1knz h ARG 118 N -0.48 0.10 0.82 1.72 3.08 -0.85 0.14 114.38 118.91 1knz h ARG 118 Ca -0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1knz h ARG 118 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1knz h ARG 118 CO 0.01 0.06 -0.46 0.28 -1.07 0.00 0.00 179.97 178.79 1knz h VAL 119 N 0.10 0.00 -0.71 2.04 2.07 -0.52 -1.14 116.25 118.08 1knz h VAL 119 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1knz h VAL 119 Cb 0.07 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.78 1knz h VAL 119 CO -0.10 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.84 1knz h LEU 120 N -1.19 0.63 -1.26 2.57 3.38 -1.43 0.13 115.31 118.15 1knz h LEU 120 Ca -0.11 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1knz h LEU 120 Cb 0.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1knz h LEU 120 CO 0.14 0.41 -0.10 -1.13 0.09 0.00 0.00 178.44 177.84 1knz h ASN 121 N 0.76 0.36 1.09 -0.43 -0.73 -0.65 -0.62 115.58 115.36 1knz h ASN 121 Ca 0.31 -0.08 -0.19 0.00 1.87 0.00 0.00 56.30 58.22 1knz h ASN 121 Cb 0.17 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.64 1knz h ASN 121 CO -0.17 0.50 -0.93 0.00 -0.37 0.00 0.00 177.43 176.46 1knz h ALA 122 N 1.54 0.47 0.00 1.57 0.00 -0.48 -3.31 119.26 119.05 1knz h ALA 122 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1knz h ALA 122 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1knz h ALA 122 CO 0.02 1.10 -0.53 0.00 0.00 0.00 0.00 179.25 179.84 1knz s PHE 124 N -3.04 0.00 -0.08 0.00 0.40 -0.27 -2.73 117.98 112.26 1knz s PHE 124 Ca 0.10 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.44 1knz s PHE 124 Cb 0.17 -0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.65 1knz s PHE 124 CO 0.70 -0.21 -0.16 -1.54 0.70 0.00 0.00 175.22 174.72 1knz s SER 125 N -0.93 3.85 -0.01 1.36 1.04 -0.96 -4.64 113.70 113.41 1knz s SER 125 Ca -0.10 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.08 1knz s SER 125 Cb -0.06 -1.14 -0.01 0.00 0.10 0.00 0.00 66.02 64.91 1knz s SER 125 CO 0.01 0.26 -0.18 -0.69 0.98 0.00 0.00 173.24 173.61 1knz s VAL 126 N -0.22 1.45 0.16 5.02 1.01 -1.26 -1.86 120.40 124.69 1knz s VAL 126 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1knz s VAL 126 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1knz s VAL 126 CO 0.03 0.41 -0.14 -1.59 0.00 0.00 0.00 175.10 173.80 1knz s LYS 127 N -0.44 1.16 0.06 2.72 -2.85 0.35 -4.94 119.74 115.80 1knz s LYS 127 Ca 0.07 -1.39 -0.29 0.00 -1.00 0.00 0.00 55.97 53.36 1knz s LYS 127 Cb -0.07 -1.00 -0.18 0.00 -2.06 0.00 0.00 37.83 34.52 1knz s LYS 127 CO -0.01 0.18 1.55 0.07 0.10 0.00 0.00 175.35 177.24 1knz h ARG 128 N 3.11 -0.58 -3.28 1.78 0.11 -1.88 -0.15 114.38 113.48 1knz h ARG 128 Ca -0.39 0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1knz h ARG 128 Cb 1.20 0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1knz h ARG 128 CO 0.55 -0.34 -0.10 -0.89 0.10 0.00 0.00 179.97 179.30 1knz n ILE 129 N -5.31 -3.24 0.00 0.08 5.41 -1.26 -4.09 119.36 110.94 1knz n ILE 129 Ca -0.11 0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1knz n ILE 129 Cb 0.27 -4.40 0.00 0.00 -0.71 0.00 0.00 39.64 34.80 1knz n ILE 129 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1knz n PRO 130 N -0.19 0.00 -0.56 0.38 -0.02 -1.26 -2.68 135.00 130.67 1knz n PRO 130 Ca 0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.45 1knz n PRO 130 Cb 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.45 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 0.00 2.29 3.31 -1.23 0.00 -1.26 -4.80 105.19 103.49 1knz n GLY 131 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.84 1.07 -0.84 1.61 1.02 -1.09 -5.07 119.74 117.27 1knz s LYS 132 Ca 0.22 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1knz s LYS 132 Cb 0.11 0.38 0.33 0.00 -0.52 0.00 0.00 37.83 38.13 1knz s LYS 132 CO 0.00 -0.38 1.50 -1.13 -0.92 0.00 0.00 175.35 174.42 1knz n SER 133 N -0.18 6.27 -3.15 2.83 3.41 -1.26 -4.89 113.62 116.65 1knz n SER 133 Ca -0.10 -3.70 -0.10 0.00 -0.26 0.00 0.00 58.87 54.70 1knz n SER 133 Cb 0.63 -0.93 -0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1knz n SER 133 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1knz s SER 134 N -2.16 0.27 0.14 4.04 1.04 -1.26 -5.18 113.70 110.58 1knz s SER 134 Ca 0.43 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.72 1knz s SER 134 Cb 0.24 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 67.09 1knz s SER 134 CO -0.15 -1.52 -0.14 -0.44 0.98 0.00 0.00 173.24 171.98 1knz s SER 135 N -3.11 2.06 -0.23 7.02 0.01 -1.26 -4.31 113.70 113.88 1knz s SER 135 Ca 0.20 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.52 1knz s SER 135 Cb -0.03 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1knz s SER 135 CO 0.14 -0.17 0.08 0.27 0.41 0.00 0.00 173.24 173.96 1knz s ILE 136 N -2.41 4.54 -0.14 1.44 -0.00 -0.07 -4.92 121.20 119.65 1knz s ILE 136 Ca 0.12 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.65 60.65 1knz s ILE 136 Cb -0.03 -3.10 -0.02 0.00 -0.00 0.00 0.00 42.46 39.31 1knz s ILE 136 CO 0.03 0.37 -0.10 -0.63 -0.00 0.00 0.00 174.94 174.61 1knz s ILE 137 N 1.19 3.29 0.05 8.37 1.01 -1.26 -0.50 121.20 133.35 1knz s ILE 137 Ca 0.05 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1knz s ILE 137 Cb -0.14 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1knz s ILE 137 CO 0.04 0.52 -0.10 -0.54 0.00 0.00 0.00 174.94 174.85 1knz s LYS 138 N 0.35 0.65 0.26 2.79 3.01 -0.78 -5.01 119.74 121.02 1knz s LYS 138 Ca -0.09 -0.80 -0.25 0.00 -1.01 0.00 0.00 55.97 53.83 1knz s LYS 138 Cb -0.15 -0.53 -0.09 0.00 -1.01 0.00 0.00 37.83 36.05 1knz s LYS 138 CO 0.05 0.11 0.86 0.00 0.51 0.00 0.00 175.35 176.88 1knz n THR 140 N 0.91 0.00 0.19 0.00 -2.24 -1.11 -4.91 114.28 107.12 1knz n THR 140 Ca -0.01 -1.68 0.04 0.00 -2.27 0.00 0.00 64.05 60.13 1knz n THR 140 Cb 0.50 -0.74 0.43 0.00 -2.10 0.00 0.00 70.33 68.41 1knz n THR 140 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1knz h LYS 141 N 0.00 0.05 -0.56 -0.78 1.57 -1.91 -2.26 116.57 112.68 1knz h LYS 141 Ca -0.29 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1knz h LYS 141 Cb 1.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1knz h LYS 141 CO 0.36 0.29 0.01 -0.07 -0.57 0.00 0.00 179.45 179.47 1knz h LEU 142 N 0.04 0.95 -0.28 2.94 3.38 -1.92 -1.74 115.31 118.69 1knz h LEU 142 Ca 0.01 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1knz h LEU 142 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1knz h LEU 142 CO 0.03 1.02 -0.05 -0.03 0.09 0.00 0.00 178.44 179.50 1knz h MET 143 N 0.86 0.53 -0.51 1.13 4.05 -1.72 -2.27 114.93 117.00 1knz h MET 143 Ca 0.16 -0.19 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1knz h MET 143 Cb 0.52 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.21 1knz h MET 143 CO 0.03 0.72 0.03 0.00 0.23 0.00 0.00 176.91 177.92 1knz h ARG 144 N 0.30 0.14 -0.07 0.39 2.47 -1.28 0.96 114.38 117.29 1knz h ARG 144 Ca 0.07 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1knz h ARG 144 Cb 0.52 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1knz h ARG 144 CO 0.02 0.09 -0.15 -0.44 0.56 0.00 0.00 179.97 180.06 1knz h ASP 145 N 0.15 0.10 -0.52 7.04 3.32 -1.16 -1.45 116.42 123.90 1knz h ASP 145 Ca 0.26 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 1knz h ASP 145 Cb 0.38 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1knz h ASP 145 CO -0.40 0.27 -0.10 0.11 -1.72 0.00 0.00 179.24 177.40 1knz h LYS 146 N 0.11 0.99 0.07 3.56 1.57 -0.28 -2.57 116.57 120.01 1knz h LYS 146 Ca 0.02 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1knz h LYS 146 Cb 0.34 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1knz h LYS 146 CO 0.02 1.04 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.82 1knz h LEU 147 N 0.85 -0.12 -0.17 2.94 3.38 -0.32 2.37 115.31 124.24 1knz h LEU 147 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1knz h LEU 147 Cb 0.66 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1knz h LEU 147 CO 0.05 -0.08 0.15 -0.62 0.09 0.00 0.00 178.44 178.03 1knz n GLU 148 N -5.15 0.02 0.00 1.13 1.02 -0.63 -3.84 120.64 113.19 1knz n GLU 148 Ca -0.07 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1knz n GLU 148 Cb 0.08 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1knz n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1knz n ARG 149 N -1.48 0.00 -3.65 3.49 1.74 0.81 -5.08 116.66 112.48 1knz n ARG 149 Ca -0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1knz n ARG 149 Cb 0.15 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.55 1knz n ARG 149 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1knz s GLY 150 N -1.42 -0.67 -0.06 -0.13 0.00 0.76 -5.06 107.32 100.74 1knz s GLY 150 Ca 0.00 2.23 0.01 0.00 0.00 0.00 0.00 44.72 46.95 1knz s GLY 150 CO 0.00 2.97 -0.04 -0.54 0.00 0.00 0.00 173.10 175.48 1knz s GLU 151 N 2.84 0.91 0.18 2.90 0.41 -1.26 -4.79 118.70 119.89 1knz s GLU 151 Ca -0.05 -0.10 -0.31 0.00 -0.41 0.00 0.00 54.97 54.10 1knz s GLU 151 Cb -0.12 -0.96 -0.09 0.00 -1.78 0.00 0.00 34.13 31.18 1knz s GLU 151 CO -0.18 -0.13 1.43 0.14 -0.49 0.00 0.00 175.26 176.03 1knz s VAL 152 N 1.14 2.96 -2.75 2.63 -7.23 -1.26 -5.08 120.40 110.82 1knz s VAL 152 Ca -0.07 0.73 0.26 0.00 -1.81 0.00 0.00 61.98 61.09 1knz s VAL 152 Cb -0.14 -3.47 0.37 0.00 0.56 0.00 0.00 36.38 33.70 1knz s VAL 152 CO -0.01 0.08 1.51 -0.62 -0.31 0.00 0.00 175.10 175.75