#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n ARG 3 N 0.00 0.88 0.00 0.00 0.63 -1.26 -4.88 116.66 112.03 3knl n ARG 3 Ca 0.00 -0.86 0.00 0.00 -0.92 0.00 0.00 57.85 56.07 3knl n ARG 3 Cb 0.00 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 31.79 3knl n ARG 3 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3knl n ARG 4 N 0.22 0.00 -3.61 -0.14 1.74 -1.26 -5.06 116.66 108.55 3knl n ARG 4 Ca 0.04 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 3knl n ARG 4 Cb 0.20 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.58 3knl n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3knl s ARG 5 N 0.00 3.88 0.00 5.56 3.00 -1.26 -4.96 118.95 125.17 3knl s ARG 5 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 55.73 55.91 3knl s ARG 5 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 34.95 31.68 3knl s ARG 5 CO 0.00 0.59 0.00 -2.13 0.00 0.00 0.00 175.30 173.76 3knl n ARG 6 N 2.35 0.00 -1.78 3.54 0.63 -1.26 -4.87 116.66 115.28 3knl n ARG 6 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 3knl n ARG 6 Cb 0.53 -0.98 0.00 0.00 0.45 0.00 0.00 32.46 32.46 3knl n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knl n ALA 7 N -0.27 -1.82 -2.53 5.13 0.00 -1.26 -4.86 120.51 114.89 3knl n ALA 7 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3knl n ALA 7 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 3knl n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3knl s GLU 8 N -2.45 4.03 -0.78 0.00 2.02 -1.26 -4.94 118.70 115.32 3knl s GLU 8 Ca 0.00 1.20 -0.25 0.00 0.02 0.00 0.00 54.97 55.94 3knl s GLU 8 Cb 0.00 -3.79 -0.21 0.00 0.10 0.00 0.00 34.13 30.23 3knl s GLU 8 CO 0.00 -0.96 1.89 0.28 0.02 0.00 0.00 175.26 176.49 3knl n VAL 9 N 5.94 1.04 -0.56 2.63 0.31 -1.26 -4.87 118.33 121.56 3knl n VAL 9 Ca 0.13 -1.01 -0.21 0.00 -0.01 0.00 0.00 64.34 63.24 3knl n VAL 9 Cb 0.47 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 31.24 3knl n VAL 9 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knl n ARG 10 N 7.84 0.00 -3.01 5.55 0.63 -1.26 -4.85 116.66 121.55 3knl n ARG 10 Ca 0.46 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 57.06 3knl n ARG 10 Cb 0.44 -0.51 -0.06 0.00 0.45 0.00 0.00 32.46 32.77 3knl n ARG 10 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3knl s GLN 11 N -0.11 4.10 -0.12 -0.14 1.11 -1.26 -5.07 119.66 118.17 3knl s GLN 11 Ca 0.32 0.85 -0.03 0.00 0.01 0.00 0.00 55.36 56.51 3knl s GLN 11 Cb -0.45 -2.35 -0.03 0.00 -1.01 0.00 0.00 33.01 29.17 3knl s GLN 11 CO 0.22 0.09 -0.00 -0.51 0.01 0.00 0.00 175.29 175.10 3knl s LEU 12 N -3.02 3.50 0.22 2.90 1.43 -1.26 -5.10 118.68 117.35 3knl s LEU 12 Ca 0.57 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 3knl s LEU 12 Cb -0.10 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 3knl s LEU 12 CO 0.16 0.29 1.06 -1.58 0.23 0.00 0.00 176.35 176.51 3knl s GLN 13 N -0.36 4.67 0.74 1.70 0.74 -1.26 -4.79 119.66 121.09 3knl s GLN 13 Ca 0.07 1.68 -0.16 0.00 0.05 0.00 0.00 55.36 57.01 3knl s GLN 13 Cb -0.12 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.73 3knl s GLN 13 CO 0.02 0.21 0.84 -2.30 -0.55 0.00 0.00 175.29 173.52 3knl n PRO 14 N 1.86 0.39 -0.94 1.67 -0.02 -1.26 -4.63 135.00 132.06 3knl n PRO 14 Ca 0.01 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.38 3knl n PRO 14 Cb 0.46 -2.12 0.18 0.00 -0.02 0.00 0.00 33.50 32.00 3knl n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3knl s ASP 15 N -1.65 2.65 -0.25 2.55 3.68 -0.33 -4.55 116.67 118.77 3knl s ASP 15 Ca 0.70 1.59 -0.16 0.00 2.13 0.00 0.00 52.55 56.82 3knl s ASP 15 Cb -0.34 -2.25 -0.12 0.00 -1.45 0.00 0.00 42.92 38.77 3knl s ASP 15 CO 0.53 -3.17 -0.27 0.18 0.13 0.00 0.00 175.17 172.57 3knl n LEU 16 N -4.24 1.94 0.00 -1.34 4.77 -1.26 -3.05 117.00 113.82 3knl n LEU 16 Ca 0.07 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3knl n LEU 16 Cb 0.55 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3knl n LEU 16 CO 0.55 0.36 0.31 0.52 -1.33 0.00 0.00 177.39 177.81 3knl n VAL 17 N -4.32 0.00 1.42 4.08 0.31 -1.26 -3.66 118.33 114.90 3knl n VAL 17 Ca -0.43 1.08 0.14 0.00 -0.01 0.00 0.00 64.34 65.12 3knl n VAL 17 Cb 0.78 -2.00 0.65 0.00 -0.91 0.00 0.00 33.84 32.35 3knl n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3knl n TYR 18 N -1.51 0.00 -3.04 3.52 4.02 -1.26 -4.97 117.16 113.91 3knl n TYR 18 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 3knl n TYR 18 Cb 0.00 -0.20 0.01 0.00 -0.02 0.00 0.00 39.34 39.13 3knl n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knl n GLY 19 N 1.27 -1.56 3.63 2.72 0.00 -1.17 -4.88 105.19 105.21 3knl n GLY 19 Ca 0.15 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 3knl n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knl s ASP 20 N -1.54 -0.75 -0.02 1.61 -1.08 -1.24 -4.45 116.67 109.20 3knl s ASP 20 Ca 0.11 1.41 -0.21 0.00 -0.52 0.00 0.00 52.55 53.34 3knl s ASP 20 Cb -0.02 1.42 -0.14 0.00 -1.46 0.00 0.00 42.92 42.72 3knl s ASP 20 CO 0.53 -0.24 0.93 -0.37 0.52 0.00 0.00 175.17 176.53 3knl h VAL 21 N 4.09 0.46 0.00 1.11 -1.51 -1.87 -0.84 116.25 117.70 3knl h VAL 21 Ca -0.29 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 3knl h VAL 21 Cb 1.17 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3knl h VAL 21 CO 0.07 0.10 0.21 0.25 -1.23 0.00 0.00 177.57 176.97 3knl h LEU 22 N -0.96 0.00 0.04 4.19 5.85 -1.94 -1.75 115.31 120.74 3knl h LEU 22 Ca -0.05 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.39 3knl h LEU 22 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3knl h LEU 22 CO 0.08 0.00 -1.52 0.52 -0.34 0.00 0.00 178.44 177.17 3knl n VAL 23 N -2.22 1.61 -0.30 1.05 0.31 -1.20 -3.89 118.33 113.69 3knl n VAL 23 Ca -0.01 -0.23 0.02 0.00 -0.01 0.00 0.00 64.34 64.11 3knl n VAL 23 Cb 0.24 -1.94 0.15 0.00 -0.91 0.00 0.00 33.84 31.38 3knl n VAL 23 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3knl h THR 24 N -0.67 0.97 -0.86 2.52 1.35 -1.18 0.43 112.91 115.47 3knl h THR 24 Ca -0.38 -0.29 0.15 0.00 -0.55 0.00 0.00 66.41 65.33 3knl h THR 24 Cb 1.54 0.03 -0.09 0.00 -1.73 0.00 0.00 68.15 67.89 3knl h THR 24 CO -0.13 0.16 0.44 0.00 -0.25 0.00 0.00 175.52 175.75 3knl h ALA 25 N 1.43 1.29 -0.07 6.62 0.00 -1.64 1.86 119.26 128.75 3knl h ALA 25 Ca 0.38 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 3knl h ALA 25 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3knl h ALA 25 CO -0.21 -0.08 -0.29 0.35 0.00 0.00 0.00 179.25 179.01 3knl h PHE 26 N 0.63 0.44 -0.20 0.00 3.57 -1.27 -2.06 116.94 118.05 3knl h PHE 26 Ca 0.47 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3knl h PHE 26 Cb 0.66 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3knl h PHE 26 CO -0.09 0.91 0.14 0.82 -2.23 0.00 0.00 178.31 177.86 3knl h ILE 27 N -0.16 0.99 -0.19 1.41 2.04 0.19 -1.03 117.51 120.76 3knl h ILE 27 Ca -0.02 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 3knl h ILE 27 Cb 0.93 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3knl h ILE 27 CO 0.06 0.03 -0.44 0.78 0.00 0.00 0.00 178.15 178.58 3knl h ASN 28 N 0.16 0.72 -0.59 1.72 2.35 0.29 -2.19 115.58 118.04 3knl h ASN 28 Ca 0.08 -0.56 0.06 0.00 -0.55 0.00 0.00 56.30 55.33 3knl h ASN 28 Cb 0.14 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3knl h ASN 28 CO -0.01 1.16 0.39 0.11 -1.65 0.00 0.00 177.43 177.43 3knl h LYS 29 N 0.32 0.58 0.00 0.81 1.79 -0.48 0.23 116.57 119.82 3knl h LYS 29 Ca -0.00 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 3knl h LYS 29 Cb 1.05 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 3knl h LYS 29 CO 0.10 0.38 -0.35 0.82 -1.08 0.00 0.00 179.45 179.32 3knl h ILE 30 N 0.59 0.74 -2.69 1.86 1.08 -1.20 -3.44 117.51 114.45 3knl h ILE 30 Ca 0.25 -1.55 -0.53 0.00 -0.39 0.00 0.00 64.86 62.64 3knl h ILE 30 Cb 0.25 2.01 0.03 0.00 -3.07 0.00 0.00 36.82 36.04 3knl h ILE 30 CO -0.07 0.34 0.99 -0.32 -0.69 0.00 0.00 178.15 178.40 3knl s MET 31 N -3.44 4.18 0.27 2.37 1.75 0.82 -4.80 119.30 120.46 3knl s MET 31 Ca 0.01 2.42 0.11 0.00 -1.25 0.00 0.00 55.69 56.98 3knl s MET 31 Cb 0.10 -3.43 -0.05 0.00 2.84 0.00 0.00 34.83 34.28 3knl s MET 31 CO 0.68 -0.73 -0.11 0.50 -0.65 0.00 0.00 175.02 174.72 3knl s ARG 32 N 2.14 1.96 -0.00 4.11 3.52 -1.26 -4.69 118.95 124.73 3knl s ARG 32 Ca 0.74 -1.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 3knl s ARG 32 Cb -0.43 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3knl s ARG 32 CO 0.33 0.34 0.00 -0.25 -0.81 0.00 0.00 175.30 174.91 3knl n ASP 33 N -0.75 -0.22 0.00 -2.12 8.00 -1.26 -0.59 116.55 119.62 3knl n ASP 33 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3knl n ASP 33 Cb 0.60 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3knl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knl n GLY 34 N 0.04 3.34 3.55 0.44 0.00 -1.26 -4.98 105.19 106.32 3knl n GLY 34 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3knl n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knl n LYS 35 N -1.94 0.53 -0.00 1.61 5.02 0.25 -4.77 118.16 118.85 3knl n LYS 35 Ca 0.00 -0.70 -0.13 0.00 -2.02 0.00 0.00 58.31 55.47 3knl n LYS 35 Cb 0.00 -3.38 -0.09 0.00 -0.02 0.00 0.00 35.03 31.55 3knl n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3knl h LYS 36 N 13.02 0.03 0.00 1.97 3.64 -1.94 -3.20 116.57 130.09 3knl h LYS 36 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3knl h LYS 36 Cb 1.04 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3knl h LYS 36 CO 1.08 0.35 0.00 0.09 -2.27 0.00 0.00 179.45 178.70 3knl n ASN 37 N -4.91 0.00 -0.34 4.20 4.13 -1.26 -0.54 115.26 116.54 3knl n ASN 37 Ca -0.08 0.85 0.07 0.00 1.68 0.00 0.00 54.58 57.10 3knl n ASN 37 Cb 0.18 -0.37 0.16 0.00 -1.54 0.00 0.00 39.78 38.21 3knl n ASN 37 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3knl h LEU 38 N 0.00 -0.79 -0.05 3.41 5.85 -1.98 0.15 115.31 121.90 3knl h LEU 38 Ca 0.00 0.28 0.02 0.00 0.84 0.00 0.00 57.88 59.02 3knl h LEU 38 Cb 0.00 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3knl h LEU 38 CO 0.00 -0.32 -0.49 0.00 -0.34 0.00 0.00 178.44 177.29 3knl h ALA 39 N 1.95 -0.89 0.13 1.25 0.00 -0.81 0.93 119.26 121.82 3knl h ALA 39 Ca 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3knl h ALA 39 Cb 0.80 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 3knl h ALA 39 CO -0.96 -1.05 -0.51 0.00 0.00 0.00 0.00 179.25 176.73 3knl h ALA 40 N -0.49 -0.99 -0.15 0.00 0.00 0.68 -2.24 119.26 116.07 3knl h ALA 40 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3knl h ALA 40 Cb 0.64 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3knl h ALA 40 CO -0.35 -1.12 0.00 0.54 0.00 0.00 0.00 179.25 178.32 3knl n ARG 41 N -5.38 0.00 -0.38 0.00 1.74 0.01 -0.56 116.66 112.10 3knl n ARG 41 Ca -0.08 0.70 -0.08 0.00 -0.77 0.00 0.00 57.85 57.62 3knl n ARG 41 Cb 0.40 -1.06 -0.06 0.00 -1.02 0.00 0.00 32.46 30.73 3knl n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3knl n ILE 42 N -2.59 -0.59 -0.04 0.55 5.41 0.27 -0.28 119.36 122.09 3knl n ILE 42 Ca 0.00 2.21 -0.14 0.00 1.00 0.00 0.00 62.75 65.83 3knl n ILE 42 Cb 0.00 -2.79 -0.08 0.00 -0.71 0.00 0.00 39.64 36.06 3knl n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3knl h PHE 43 N 0.00 -1.48 0.46 1.39 3.57 -0.23 -0.18 116.94 120.47 3knl h PHE 43 Ca 0.20 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3knl h PHE 43 Cb 0.43 0.68 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3knl h PHE 43 CO -0.91 -0.51 -0.22 1.88 -2.23 0.00 0.00 178.31 176.32 3knl h TYR 44 N -0.50 -0.58 -0.17 0.41 0.99 -0.69 -0.25 116.97 116.17 3knl h TYR 44 Ca 0.06 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.83 3knl h TYR 44 Cb 0.65 0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.56 3knl h TYR 44 CO -0.59 -0.26 0.73 -0.44 -0.00 0.00 0.00 178.16 177.61 3knl h ASP 45 N -0.88 0.00 0.04 3.88 3.45 -0.51 0.88 116.42 123.28 3knl h ASP 45 Ca -0.06 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.23 3knl h ASP 45 Cb 0.58 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 3knl h ASP 45 CO 0.10 0.00 -0.90 0.00 -1.57 0.00 0.00 179.24 176.88 3knl h ALA 46 N 0.69 0.14 -0.93 3.45 0.00 -0.29 -3.33 119.26 118.98 3knl h ALA 46 Ca 0.08 -0.93 0.15 0.00 0.00 0.00 0.00 54.91 54.21 3knl h ALA 46 Cb 1.55 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.67 3knl h ALA 46 CO -0.00 0.51 0.59 0.00 0.00 0.00 0.00 179.25 180.35 3knl h LYS 48 N 0.76 0.00 0.00 0.00 3.64 -1.17 0.51 116.57 120.30 3knl h LYS 48 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3knl h LYS 48 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3knl h LYS 48 CO -0.24 0.00 -0.42 -0.89 -2.27 0.00 0.00 179.45 175.63 3knl n ILE 49 N -3.17 0.09 -0.04 2.00 2.08 0.20 -3.14 119.36 117.38 3knl n ILE 49 Ca -0.02 -0.06 -0.00 0.00 0.56 0.00 0.00 62.75 63.22 3knl n ILE 49 Cb 0.20 0.01 -0.00 0.00 -0.75 0.00 0.00 39.64 39.10 3knl n ILE 49 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3knl h ILE 50 N 0.00 0.00 -0.70 1.39 1.08 0.11 -2.58 117.51 116.81 3knl h ILE 50 Ca 0.00 -0.82 0.15 0.00 -0.39 0.00 0.00 64.86 63.80 3knl h ILE 50 Cb 0.56 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 3knl h ILE 50 CO 0.00 0.00 0.48 1.56 -0.69 0.00 0.00 178.15 179.50 3knl h GLN 51 N -0.83 0.30 0.11 2.37 1.08 -1.61 0.13 115.11 116.66 3knl h GLN 51 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3knl h GLN 51 Cb 0.01 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3knl h GLN 51 CO 0.00 0.20 -0.11 1.49 -0.95 0.00 0.00 178.83 179.46 3knl h GLU 52 N 0.31 -0.23 -0.37 1.46 4.22 -1.63 -3.22 114.58 115.11 3knl h GLU 52 Ca 0.34 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.80 3knl h GLU 52 Cb 0.90 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3knl h GLU 52 CO -0.09 -0.16 0.00 1.63 -2.18 0.00 0.00 179.01 178.21 3knl n LYS 53 N -5.23 3.60 -3.63 1.92 5.02 -0.60 -4.98 118.16 114.26 3knl n LYS 53 Ca -0.07 -2.96 -0.03 0.00 -2.02 0.00 0.00 58.31 53.22 3knl n LYS 53 Cb 0.15 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 3knl n LYS 53 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3knl s THR 54 N -2.81 0.00 -2.00 -0.18 -1.32 0.34 -5.00 115.64 104.66 3knl s THR 54 Ca 0.47 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.15 3knl s THR 54 Cb 0.37 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.94 3knl s THR 54 CO 0.11 0.00 1.77 0.61 -2.21 0.00 0.00 174.62 174.91 3knl n GLY 55 N 0.49 -0.99 3.65 6.08 0.00 -1.26 -3.65 105.19 109.50 3knl n GLY 55 Ca -0.01 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3knl n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knl s GLN 56 N -2.00 4.01 -0.71 1.61 -1.52 -1.26 -4.89 119.66 114.89 3knl s GLN 56 Ca 0.31 2.07 -0.26 0.00 -1.95 0.00 0.00 55.36 55.52 3knl s GLN 56 Cb 0.14 -4.04 -0.06 0.00 -0.22 0.00 0.00 33.01 28.83 3knl s GLN 56 CO 0.24 -1.05 2.08 -1.83 -0.25 0.00 0.00 175.29 174.47 3knl s GLU 57 N 4.39 2.33 0.00 2.91 -1.05 -1.26 -4.10 118.70 121.91 3knl s GLU 57 Ca 0.76 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 3knl s GLU 57 Cb -0.32 -4.71 0.00 0.00 -0.44 0.00 0.00 34.13 28.67 3knl s GLU 57 CO 0.31 -3.34 0.00 -2.30 0.95 0.00 0.00 175.26 170.88 3knl n PRO 58 N 8.99 0.00 -0.34 -4.83 -0.02 -1.26 0.30 135.00 137.84 3knl n PRO 58 Ca 0.34 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.87 3knl n PRO 58 Cb 0.49 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.09 3knl n PRO 58 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3knl n LEU 59 N -0.10 -0.37 -0.15 2.45 0.00 -1.26 0.14 117.00 117.71 3knl n LEU 59 Ca 0.00 1.62 0.18 0.00 0.00 0.00 0.00 56.01 57.81 3knl n LEU 59 Cb 0.00 -0.48 0.56 0.00 0.00 0.00 0.00 43.42 43.51 3knl n LEU 59 CO 0.00 -1.54 1.21 0.50 0.00 0.00 0.00 177.39 177.56 3knl h LYS 60 N 0.00 0.29 0.14 1.96 1.63 -0.53 0.82 116.57 120.88 3knl h LYS 60 Ca 0.44 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.21 3knl h LYS 60 Cb 0.67 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 3knl h LYS 60 CO -0.96 0.19 -0.07 0.28 -3.45 0.00 0.00 179.45 175.44 3knl h VAL 61 N 0.30 0.00 -1.00 2.00 2.07 0.12 -2.94 116.25 116.80 3knl h VAL 61 Ca 0.37 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.83 3knl h VAL 61 Cb 1.02 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.63 3knl h VAL 61 CO -0.10 0.00 -0.39 0.33 0.02 0.00 0.00 177.57 177.44 3knl n PHE 62 N -3.11 0.03 -0.36 1.57 7.35 -0.54 -0.46 117.46 121.94 3knl n PHE 62 Ca -0.02 1.23 0.05 0.00 -0.76 0.00 0.00 57.45 57.95 3knl n PHE 62 Cb 0.08 -0.88 0.21 0.00 0.35 0.00 0.00 39.48 39.24 3knl n PHE 62 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3knl h LYS 63 N 0.00 0.99 0.00 -4.13 1.63 0.52 -1.32 116.57 114.27 3knl h LYS 63 Ca 0.35 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3knl h LYS 63 Cb 0.60 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3knl h LYS 63 CO -0.99 0.66 -0.20 0.37 -3.45 0.00 0.00 179.45 175.83 3knl h GLN 64 N 1.02 0.00 -0.10 1.90 4.15 -0.58 -3.19 115.11 118.31 3knl h GLN 64 Ca 0.47 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.85 3knl h GLN 64 Cb 0.39 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3knl h GLN 64 CO -0.24 0.00 -0.10 0.00 -1.93 0.00 0.00 178.83 176.56 3knl h ALA 65 N 2.11 0.15 -0.63 3.38 0.00 0.08 0.11 119.26 124.46 3knl h ALA 65 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3knl h ALA 65 Cb 0.95 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3knl h ALA 65 CO 0.00 -0.01 0.41 0.28 0.00 0.00 0.00 179.25 179.93 3knl h VAL 66 N -0.16 1.17 -0.10 0.00 2.07 -1.43 -2.60 116.25 115.18 3knl h VAL 66 Ca 0.02 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3knl h VAL 66 Cb 0.63 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3knl h VAL 66 CO 0.03 0.16 -0.13 -0.08 0.02 0.00 0.00 177.57 177.57 3knl h GLU 67 N 0.85 0.27 0.00 1.57 4.57 -1.51 -2.30 114.58 118.04 3knl h GLU 67 Ca 0.23 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3knl h GLU 67 Cb -0.08 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3knl h GLU 67 CO -0.05 0.71 0.00 0.09 -1.18 0.00 0.00 179.01 178.59 3knl n ASN 68 N -4.60 0.00 0.00 1.04 3.02 0.01 -2.02 115.26 112.72 3knl n ASN 68 Ca -0.07 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3knl n ASN 68 Cb 0.36 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3knl n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3knl n VAL 69 N -1.11 0.00 -1.60 2.41 0.31 -1.04 -4.89 118.33 112.40 3knl n VAL 69 Ca 0.00 -0.41 -0.43 0.00 -0.01 0.00 0.00 64.34 63.49 3knl n VAL 69 Cb 0.00 1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.93 3knl n VAL 69 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3knl n LYS 70 N -0.71 2.01 -1.77 5.55 5.02 -0.85 -4.60 118.16 122.80 3knl n LYS 70 Ca 0.00 0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 3knl n LYS 70 Cb 0.01 -3.20 -0.03 0.00 -0.02 0.00 0.00 35.03 31.79 3knl n LYS 70 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3knl s PRO 71 N 6.22 4.07 0.23 1.97 0.04 -1.26 -4.87 135.00 141.40 3knl s PRO 71 Ca 1.00 2.43 -0.01 0.00 0.04 0.00 0.00 61.00 64.46 3knl s PRO 71 Cb -0.36 -4.13 0.25 0.00 0.04 0.00 0.00 34.50 30.30 3knl s PRO 71 CO 0.36 -1.02 1.62 -0.09 0.04 0.00 0.00 177.00 177.91 3knl h ARG 72 N 10.63 0.55 -2.66 4.56 9.65 -1.89 -3.43 114.38 131.79 3knl h ARG 72 Ca -0.46 -0.27 -0.11 0.00 -1.10 0.00 0.00 59.98 58.05 3knl h ARG 72 Cb 1.22 -0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.57 3knl h ARG 72 CO 0.95 0.84 -0.18 -1.64 2.80 0.00 0.00 179.97 182.74 3knl s MET 73 N -4.30 0.57 0.33 0.20 -1.94 -1.26 -2.92 119.30 109.97 3knl s MET 73 Ca -0.07 0.52 0.03 0.00 -1.71 0.00 0.00 55.69 54.46 3knl s MET 73 Cb 0.13 0.27 -0.04 0.00 2.01 0.00 0.00 34.83 37.20 3knl s MET 73 CO 0.82 -0.09 0.14 -1.83 -0.01 0.00 0.00 175.02 174.05 3knl s GLU 74 N -0.00 1.67 -0.13 2.03 -1.05 -1.00 -3.58 118.70 116.63 3knl s GLU 74 Ca -0.02 -1.97 -0.07 0.00 -0.15 0.00 0.00 54.97 52.77 3knl s GLU 74 Cb -0.03 -0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.30 3knl s GLU 74 CO 0.01 -0.42 0.11 0.14 0.95 0.00 0.00 175.26 176.06 3knl s VAL 75 N -3.48 5.28 -0.17 1.83 -7.23 -1.26 -2.24 120.40 113.12 3knl s VAL 75 Ca 0.33 0.13 0.01 0.00 -1.81 0.00 0.00 61.98 60.64 3knl s VAL 75 Cb 0.05 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.70 3knl s VAL 75 CO 0.16 0.58 -0.20 -0.13 -0.31 0.00 0.00 175.10 175.21 3knl s ARG 76 N -0.72 2.95 0.82 4.82 0.52 0.22 -4.96 118.95 122.60 3knl s ARG 76 Ca 0.13 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.38 3knl s ARG 76 Cb -0.12 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.84 3knl s ARG 76 CO 0.03 -0.19 0.62 0.45 0.02 0.00 0.00 175.30 176.22 3knl n SER 77 N 4.57 -1.08 -3.43 0.23 2.88 -1.26 -2.27 113.62 113.26 3knl n SER 77 Ca -0.21 0.49 0.01 0.00 -1.33 0.00 0.00 58.87 57.84 3knl n SER 77 Cb 0.50 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.66 3knl n SER 77 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3knl s ARG 78 N -3.35 0.54 -0.69 -1.46 6.06 -1.00 -4.79 118.95 114.26 3knl s ARG 78 Ca 0.64 1.20 -0.27 0.00 -2.50 0.00 0.00 55.73 54.79 3knl s ARG 78 Cb -0.29 0.70 0.02 0.00 0.06 0.00 0.00 34.95 35.45 3knl s ARG 78 CO 0.60 -0.35 1.32 0.50 -2.50 0.00 0.00 175.30 174.87 3knl s ARG 79 N 2.85 3.20 -0.19 5.12 3.00 -1.26 -2.38 118.95 129.29 3knl s ARG 79 Ca 0.04 -0.05 -0.15 0.00 -1.00 0.00 0.00 55.73 54.57 3knl s ARG 79 Cb -0.13 -4.17 -0.09 0.00 0.00 0.00 0.00 34.95 30.57 3knl s ARG 79 CO -0.19 -2.11 -0.19 0.28 0.00 0.00 0.00 175.30 173.08 3knl n VAL 80 N 6.52 1.49 0.00 7.11 0.31 -1.22 -5.02 118.33 127.51 3knl n VAL 80 Ca 0.06 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3knl n VAL 80 Cb 0.49 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 3knl n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3knl n GLY 81 N 1.46 4.03 3.92 2.92 0.00 -1.26 -4.95 105.19 111.31 3knl n GLY 81 Ca -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3knl n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 82 N 0.00 2.79 3.65 -0.02 0.00 -1.26 -4.80 105.19 105.55 3knl n GLY 82 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3knl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl s ALA 83 N -1.23 -2.19 -1.02 4.61 0.00 -1.26 -5.10 121.76 115.58 3knl s ALA 83 Ca 0.00 1.75 -0.08 0.00 0.00 0.00 0.00 51.96 53.63 3knl s ALA 83 Cb 0.00 -1.69 0.26 0.00 0.00 0.00 0.00 23.12 21.69 3knl s ALA 83 CO 0.00 -0.15 0.98 -0.80 0.00 0.00 0.00 175.76 175.79 3knl s ASN 84 N -0.34 6.89 0.40 0.00 0.01 -1.26 -3.45 114.94 117.20 3knl s ASN 84 Ca 0.08 -3.52 -0.25 0.00 -0.71 0.00 0.00 52.86 48.46 3knl s ASN 84 Cb -0.04 -2.13 -0.11 0.00 0.41 0.00 0.00 41.25 39.38 3knl s ASN 84 CO -0.13 -0.29 0.94 -1.22 -1.51 0.00 0.00 177.10 174.89 3knl n TYR 85 N 2.76 0.94 -3.04 2.20 0.53 -1.00 -4.47 117.16 115.08 3knl n TYR 85 Ca 0.22 0.59 -0.45 0.00 -1.02 0.00 0.00 57.90 57.24 3knl n TYR 85 Cb 0.39 -2.20 -0.02 0.00 -1.03 0.00 0.00 39.34 36.49 3knl n TYR 85 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 3knl s GLN 86 N -1.88 3.62 0.08 -0.72 -0.21 -1.26 -2.36 119.66 116.93 3knl s GLN 86 Ca 0.63 -1.99 -0.31 0.00 0.02 0.00 0.00 55.36 53.71 3knl s GLN 86 Cb -0.59 -4.79 -0.07 0.00 1.00 0.00 0.00 33.01 28.57 3knl s GLN 86 CO 0.57 -1.64 1.31 0.08 -2.12 0.00 0.00 175.29 173.50 3knl s VAL 87 N 1.94 3.65 0.03 1.09 1.01 -0.96 -4.77 120.40 122.38 3knl s VAL 87 Ca 0.29 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 3knl s VAL 87 Cb -0.06 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3knl s VAL 87 CO -0.09 0.08 0.25 -2.16 0.00 0.00 0.00 175.10 173.17 3knl s PRO 88 N 1.27 3.52 0.13 2.72 0.04 -1.26 0.71 135.00 142.13 3knl s PRO 88 Ca 0.62 -0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.20 3knl s PRO 88 Cb -0.33 -3.05 0.08 0.00 0.04 0.00 0.00 34.50 31.24 3knl s PRO 88 CO 0.29 0.63 1.06 0.00 0.04 0.00 0.00 177.00 179.02 3knl s MET 89 N -2.05 1.06 0.68 4.56 0.23 -0.95 -4.65 119.30 118.19 3knl s MET 89 Ca 0.30 -0.64 -0.12 0.00 -1.03 0.00 0.00 55.69 54.21 3knl s MET 89 Cb -0.13 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.50 3knl s MET 89 CO 0.20 -0.49 1.06 -1.21 -2.03 0.00 0.00 175.02 172.55 3knl s GLU 90 N -2.64 2.97 -0.14 3.16 2.02 -1.26 -2.38 118.70 120.42 3knl s GLU 90 Ca 0.17 1.00 -0.13 0.00 0.02 0.00 0.00 54.97 56.04 3knl s GLU 90 Cb -0.01 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 3knl s GLU 90 CO 0.02 -1.08 0.27 0.08 0.02 0.00 0.00 175.26 174.58 3knl s VAL 91 N -2.95 5.31 0.68 2.63 1.01 -1.15 -4.78 120.40 121.15 3knl s VAL 91 Ca 0.59 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 3knl s VAL 91 Cb -0.14 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3knl s VAL 91 CO 0.52 0.44 1.02 -0.24 0.00 0.00 0.00 175.10 176.84 3knl n SER 92 N 3.20 0.79 0.20 3.32 2.88 -1.26 -4.76 113.62 117.99 3knl n SER 92 Ca -0.13 0.72 0.05 0.00 -1.33 0.00 0.00 58.87 58.18 3knl n SER 92 Cb 0.52 -1.43 0.47 0.00 -0.75 0.00 0.00 64.21 63.03 3knl n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3knl h PRO 93 N 0.04 0.05 0.81 -1.46 0.13 -1.99 -0.76 132.00 128.82 3knl h PRO 93 Ca -0.48 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3knl h PRO 93 Cb 1.34 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.47 3knl h PRO 93 CO 0.49 0.23 -0.39 0.00 -0.23 0.00 0.00 178.00 178.10 3knl h ARG 94 N 0.05 -1.05 -0.54 0.86 3.08 -2.00 -2.57 114.38 112.22 3knl h ARG 94 Ca 0.01 0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.24 3knl h ARG 94 Cb 0.34 0.24 -0.10 0.00 0.08 0.00 0.00 29.97 30.53 3knl h ARG 94 CO 0.02 -0.70 -0.09 -0.09 -1.07 0.00 0.00 179.97 178.05 3knl h ARG 95 N -1.24 0.04 -0.97 0.04 2.43 -1.90 0.49 114.38 113.26 3knl h ARG 95 Ca -0.11 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3knl h ARG 95 Cb 0.83 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.24 3knl h ARG 95 CO 0.18 0.02 -0.51 0.94 -1.51 0.00 0.00 179.97 179.10 3knl n GLN 96 N -5.34 -0.36 -0.15 0.20 7.27 -0.30 0.17 117.38 118.87 3knl n GLN 96 Ca 0.06 1.48 -0.12 0.00 0.07 0.00 0.00 57.00 58.49 3knl n GLN 96 Cb 0.29 -2.18 -0.01 0.00 2.41 0.00 0.00 30.24 30.76 3knl n GLN 96 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 3knl h GLN 97 N 0.00 0.98 0.12 3.69 4.15 -0.64 -1.65 115.11 121.75 3knl h GLN 97 Ca 0.21 -0.44 0.02 0.00 0.77 0.00 0.00 58.65 59.21 3knl h GLN 97 Cb 0.46 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3knl h GLN 97 CO -0.93 1.11 -0.24 0.77 -1.93 0.00 0.00 178.83 177.61 3knl h SER 98 N 0.82 -0.68 0.73 -0.69 0.02 0.50 -2.04 113.55 112.22 3knl h SER 98 Ca 0.10 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3knl h SER 98 Cb 0.84 0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.65 3knl h SER 98 CO 0.07 -0.33 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.01 3knl h LEU 99 N -0.45 -0.83 -0.82 5.07 3.38 0.18 -2.54 115.31 119.29 3knl h LEU 99 Ca 0.03 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.27 3knl h LEU 99 Cb 0.47 0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 3knl h LEU 99 CO -0.14 -0.53 0.08 0.00 0.09 0.00 0.00 178.44 177.94 3knl n ALA 100 N -2.60 0.48 -0.00 1.53 0.00 -0.62 -0.43 120.51 118.87 3knl n ALA 100 Ca -0.12 0.88 -0.13 0.00 0.00 0.00 0.00 53.44 54.07 3knl n ALA 100 Cb 0.39 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 3knl n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knl h LEU 101 N 0.00 -0.05 -0.06 0.00 3.38 -1.35 -3.18 115.31 114.05 3knl h LEU 101 Ca 0.53 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3knl h LEU 101 Cb 1.14 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 3knl h LEU 101 CO -0.75 0.55 -0.46 -0.09 0.09 0.00 0.00 178.44 177.77 3knl h ARG 102 N -0.68 -0.55 -0.54 1.13 2.43 -0.30 -2.29 114.38 113.58 3knl h ARG 102 Ca -0.01 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 3knl h ARG 102 Cb 0.60 0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 3knl h ARG 102 CO 0.01 -0.37 -0.27 -1.49 -1.51 0.00 0.00 179.97 176.34 3knl h TRP 103 N -0.57 -0.73 -0.33 2.20 6.55 -1.40 -1.41 115.95 120.26 3knl h TRP 103 Ca 0.05 0.06 0.03 0.00 0.95 0.00 0.00 58.89 59.98 3knl h TRP 103 Cb 0.67 0.40 -0.04 0.00 -0.86 0.00 0.00 29.16 29.32 3knl h TRP 103 CO -0.49 -0.35 -0.23 -0.07 -1.05 0.00 0.00 178.44 176.25 3knl h LEU 104 N -0.14 -0.83 -1.68 -4.49 -0.00 -1.40 1.03 115.31 107.80 3knl h LEU 104 Ca 0.23 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 3knl h LEU 104 Cb 0.52 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 3knl h LEU 104 CO -0.62 -0.11 0.20 0.58 -0.00 0.00 0.00 178.44 178.49 3knl h VAL 105 N -0.05 0.00 0.00 1.22 2.07 -1.02 1.39 116.25 119.86 3knl h VAL 105 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3knl h VAL 105 Cb 0.19 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3knl h VAL 105 CO -0.33 0.00 -0.33 1.56 0.02 0.00 0.00 177.57 178.49 3knl h GLN 106 N 0.00 0.00 -0.47 1.57 4.20 0.14 -3.03 115.11 117.52 3knl h GLN 106 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3knl h GLN 106 Cb 0.40 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3knl h GLN 106 CO 0.00 0.00 0.19 0.00 -0.67 0.00 0.00 178.83 178.35 3knl h ALA 107 N -1.26 0.58 -0.78 3.87 0.00 0.12 0.42 119.26 122.21 3knl h ALA 107 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3knl h ALA 107 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3knl h ALA 107 CO 0.00 -0.19 0.51 0.00 0.00 0.00 0.00 179.25 179.57 3knl h ALA 108 N 1.30 1.91 -0.47 0.00 0.00 0.17 0.34 119.26 122.50 3knl h ALA 108 Ca 0.22 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.78 3knl h ALA 108 Cb 0.20 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 3knl h ALA 108 CO -0.20 -0.09 0.39 -1.71 0.00 0.00 0.00 179.25 177.63 3knl n ASN 109 N -4.51 6.44 0.00 0.00 2.85 0.15 -3.33 115.26 116.87 3knl n ASN 109 Ca 0.14 -3.08 0.00 0.00 -0.11 0.00 0.00 54.58 51.53 3knl n ASN 109 Cb 0.42 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.34 3knl n ASN 109 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3knl n GLN 110 N 0.50 0.00 -3.16 1.20 6.02 0.10 -4.93 117.38 117.12 3knl n GLN 110 Ca 0.34 -0.18 -0.35 0.00 -0.01 0.00 0.00 57.00 56.79 3knl n GLN 110 Cb 0.58 -0.19 -0.06 0.00 1.02 0.00 0.00 30.24 31.59 3knl n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3knl s ARG 111 N 0.00 4.17 0.41 -1.09 0.52 -1.21 -4.99 118.95 116.75 3knl s ARG 111 Ca 0.00 0.77 0.14 0.00 -0.52 0.00 0.00 55.73 56.11 3knl s ARG 111 Cb 0.00 -2.84 0.98 0.00 0.52 0.00 0.00 34.95 33.61 3knl s ARG 111 CO 0.00 0.38 1.91 -1.00 0.02 0.00 0.00 175.30 176.61 3knl h PRO 112 N 3.30 0.48 -6.28 3.54 0.13 -1.96 -3.44 132.00 127.78 3knl h PRO 112 Ca -0.48 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.05 3knl h PRO 112 Cb 1.19 -0.11 0.20 0.00 0.13 0.00 0.00 31.00 32.41 3knl h PRO 112 CO 0.65 0.32 -1.06 -0.85 -0.23 0.00 0.00 178.00 176.83 3knl n GLU 113 N -4.50 0.08 -0.08 0.86 0.00 -1.26 -4.95 120.64 110.79 3knl n GLU 113 Ca 0.15 0.04 -0.11 0.00 0.00 0.00 0.00 57.16 57.24 3knl n GLU 113 Cb 0.50 -1.34 -0.06 0.00 0.00 0.00 0.00 31.44 30.53 3knl n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3knl h ARG 114 N -0.53 0.00 -6.90 3.44 2.47 -1.99 -3.46 114.38 107.40 3knl h ARG 114 Ca -0.44 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 57.82 3knl h ARG 114 Cb 1.36 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.66 3knl h ARG 114 CO 0.36 0.48 0.24 1.03 0.56 0.00 0.00 179.97 182.64 3knl s ARG 115 N -2.18 4.18 0.48 0.04 3.00 -1.26 -4.95 118.95 118.26 3knl s ARG 115 Ca -0.18 0.96 0.22 0.00 0.00 0.00 0.00 55.73 56.73 3knl s ARG 115 Cb 0.02 -2.36 1.25 0.00 0.00 0.00 0.00 34.95 33.87 3knl s ARG 115 CO 0.38 0.09 1.92 0.00 0.00 0.00 0.00 175.30 177.68 3knl h ALA 116 N 2.22 2.41 -0.50 2.13 0.00 -1.98 -2.47 119.26 121.07 3knl h ALA 116 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3knl h ALA 116 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3knl h ALA 116 CO 0.63 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3knl n ALA 117 N -2.60 -0.42 -0.23 0.00 0.00 -1.26 -1.15 120.51 114.85 3knl n ALA 117 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 3knl n ALA 117 Cb 0.68 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.25 3knl n ALA 117 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3knl h VAL 118 N 0.00 0.38 0.06 0.00 -1.51 -1.89 0.25 116.25 113.55 3knl h VAL 118 Ca 0.00 -0.03 0.03 0.00 -1.23 0.00 0.00 66.70 65.47 3knl h VAL 118 Cb 0.00 0.29 -0.04 0.00 -2.13 0.00 0.00 31.29 29.41 3knl h VAL 118 CO 0.00 0.01 -0.32 0.03 -1.23 0.00 0.00 177.57 176.07 3knl h ARG 119 N 0.08 -0.49 0.60 5.19 3.08 -1.45 0.10 114.38 121.49 3knl h ARG 119 Ca 0.36 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.42 3knl h ARG 119 Cb 0.61 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.77 3knl h ARG 119 CO -0.63 -0.33 -0.29 0.82 -1.07 0.00 0.00 179.97 178.48 3knl h ILE 120 N -0.51 0.40 0.00 2.04 1.08 -0.43 -2.64 117.51 117.46 3knl h ILE 120 Ca 0.04 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3knl h ILE 120 Cb 0.56 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3knl h ILE 120 CO -0.22 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.25 3knl n ALA 121 N -2.47 0.00 -0.11 1.87 0.00 0.83 -0.89 120.51 119.73 3knl n ALA 121 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3knl n ALA 121 Cb 0.34 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3knl n ALA 121 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3knl n HIS 122 N -0.81 -0.12 -0.30 0.00 8.25 0.33 0.08 115.22 122.65 3knl n HIS 122 Ca 0.00 0.33 0.02 0.00 -0.26 0.00 0.00 57.72 57.81 3knl n HIS 122 Cb 0.00 -0.44 0.09 0.00 1.12 0.00 0.00 29.99 30.76 3knl n HIS 122 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3knl h GLU 123 N 0.00 -0.02 -1.01 -0.41 4.57 -1.34 1.19 114.58 117.57 3knl h GLU 123 Ca 0.04 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 3knl h GLU 123 Cb 0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.63 3knl h GLU 123 CO -0.25 -0.01 0.65 1.25 -1.18 0.00 0.00 179.01 179.46 3knl h LEU 124 N -0.02 1.01 0.76 1.64 6.46 0.16 -0.54 115.31 124.79 3knl h LEU 124 Ca 0.38 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.12 3knl h LEU 124 Cb 0.61 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.36 3knl h LEU 124 CO -0.88 0.61 -0.37 0.24 -0.62 0.00 0.00 178.44 177.43 3knl h MET 125 N 1.12 -0.99 -0.27 1.25 2.86 0.32 -2.33 114.93 116.90 3knl h MET 125 Ca 0.45 0.07 0.08 0.00 -2.06 0.00 0.00 59.70 58.24 3knl h MET 125 Cb 0.27 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3knl h MET 125 CO -0.20 -0.64 0.34 -0.44 1.06 0.00 0.00 176.91 177.02 3knl h ASP 126 N -1.15 0.00 0.65 1.22 3.45 -0.68 -0.46 116.42 119.44 3knl h ASP 126 Ca -0.10 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.32 3knl h ASP 126 Cb 0.80 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.58 3knl h ASP 126 CO 0.17 0.00 -0.31 0.00 -1.57 0.00 0.00 179.24 177.53 3knl h ALA 127 N 1.58 -0.87 -0.15 3.45 0.00 -0.60 0.56 119.26 123.22 3knl h ALA 127 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3knl h ALA 127 Cb 0.80 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3knl h ALA 127 CO -0.00 -0.82 0.11 0.00 0.00 0.00 0.00 179.25 178.54 3knl h ALA 128 N -1.17 2.14 -0.40 0.00 0.00 -0.78 0.61 119.26 119.66 3knl h ALA 128 Ca -0.09 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 3knl h ALA 128 Cb 0.68 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.37 3knl h ALA 128 CO 0.15 -0.19 0.25 -1.91 0.00 0.00 0.00 179.25 177.55 3knl n GLU 129 N -4.49 1.64 -3.94 0.00 2.13 -0.28 -4.84 120.64 110.85 3knl n GLU 129 Ca 0.01 -1.26 -0.29 0.00 0.66 0.00 0.00 57.16 56.27 3knl n GLU 129 Cb 0.24 -1.53 0.01 0.00 0.27 0.00 0.00 31.44 30.43 3knl n GLU 129 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knl n GLY 130 N -0.14 -0.48 0.17 8.31 0.00 0.21 -4.73 105.19 108.53 3knl n GLY 130 Ca 0.24 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3knl n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3knl n LYS 131 N -3.50 0.00 -3.05 1.61 2.85 0.17 -5.00 118.16 111.24 3knl n LYS 131 Ca -0.08 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.79 3knl n LYS 131 Cb 0.35 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.68 3knl n LYS 131 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3knl s GLY 132 N 0.00 2.66 0.00 2.58 0.00 0.01 -4.83 107.32 107.74 3knl s GLY 132 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3knl s GLY 132 CO 0.00 1.12 0.00 0.61 0.00 0.00 0.00 173.10 174.83 3knl n GLY 133 N 2.89 0.00 0.28 0.20 0.00 -1.26 0.23 105.19 107.53 3knl n GLY 133 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3knl n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl h ALA 134 N 0.00 1.04 -0.74 4.61 0.00 -1.91 0.15 119.26 122.42 3knl h ALA 134 Ca 0.00 0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.26 3knl h ALA 134 Cb 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 3knl h ALA 134 CO 0.00 -0.37 0.06 0.28 0.00 0.00 0.00 179.25 179.21 3knl h VAL 135 N 0.25 0.40 -1.03 0.00 2.07 0.25 1.24 116.25 119.44 3knl h VAL 135 Ca 0.46 -0.05 0.26 0.00 0.82 0.00 0.00 66.70 68.18 3knl h VAL 135 Cb 0.82 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 3knl h VAL 135 CO -0.56 0.03 0.63 0.50 0.02 0.00 0.00 177.57 178.19 3knl h LYS 136 N 0.15 0.48 0.58 1.57 3.64 -0.71 0.25 116.57 122.52 3knl h LYS 136 Ca 0.41 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 3knl h LYS 136 Cb 0.71 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3knl h LYS 136 CO -0.61 0.31 -0.28 -0.22 -2.27 0.00 0.00 179.45 176.39 3knl h LYS 137 N 0.49 -0.75 -0.45 1.90 3.11 0.16 -0.86 116.57 120.18 3knl h LYS 137 Ca 0.63 0.05 0.13 0.00 -2.81 0.00 0.00 60.65 58.65 3knl h LYS 137 Cb 1.38 0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 32.76 3knl h LYS 137 CO -0.40 -0.45 0.35 -0.22 -2.81 0.00 0.00 179.45 175.91 3knl h LYS 138 N -0.90 0.00 -0.01 1.90 3.64 -0.35 0.85 116.57 121.71 3knl h LYS 138 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3knl h LYS 138 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3knl h LYS 138 CO 0.13 0.00 -0.03 0.39 -2.27 0.00 0.00 179.45 177.67 3knl n GLU 139 N -4.25 1.17 -0.10 1.90 1.02 0.65 -2.36 120.64 118.66 3knl n GLU 139 Ca 0.08 -0.42 -0.20 0.00 -0.02 0.00 0.00 57.16 56.60 3knl n GLU 139 Cb 0.55 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 3knl n GLU 139 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3knl n ASP 140 N -0.55 1.74 -0.34 1.62 2.03 0.27 -3.61 116.55 117.71 3knl n ASP 140 Ca 0.20 0.30 0.19 0.00 0.52 0.00 0.00 54.79 55.99 3knl n ASP 140 Cb 0.24 -0.70 0.41 0.00 -0.72 0.00 0.00 41.12 40.35 3knl n ASP 140 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3knl h VAL 141 N -0.86 0.52 0.22 5.18 2.07 -0.91 -2.02 116.25 120.45 3knl h VAL 141 Ca -0.40 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3knl h VAL 141 Cb 1.30 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3knl h VAL 141 CO -0.24 0.10 -0.11 -0.33 0.02 0.00 0.00 177.57 177.01 3knl h GLU 142 N 0.54 -0.29 -0.69 1.57 5.08 -1.52 -3.17 114.58 116.10 3knl h GLU 142 Ca 0.65 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 59.25 3knl h GLU 142 Cb 1.30 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.48 3knl h GLU 142 CO -0.47 -0.19 0.14 0.54 -1.00 0.00 0.00 179.01 178.04 3knl n ARG 143 N -3.01 -0.05 0.00 2.33 1.74 -0.82 -1.06 116.66 115.79 3knl n ARG 143 Ca -0.04 1.01 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 3knl n ARG 143 Cb 0.12 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 3knl n ARG 143 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3knl n MET 144 N -4.81 0.00 0.00 5.56 2.81 -0.87 -1.89 117.12 117.93 3knl n MET 144 Ca 0.20 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.71 3knl n MET 144 Cb 0.66 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 3knl n MET 144 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3knl n ALA 145 N -1.77 1.12 0.00 3.04 0.00 -0.22 0.25 120.51 122.93 3knl n ALA 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knl n ALA 145 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 3knl n ALA 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knl n GLU 146 N 2.44 0.00 -0.01 0.00 -0.58 -0.79 -4.56 120.64 117.13 3knl n GLU 146 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3knl n GLU 146 Cb 0.00 -0.22 -0.09 0.00 -0.57 0.00 0.00 31.44 30.57 3knl n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knl h ALA 147 N 0.00 0.05 -0.01 0.62 0.00 0.00 -2.92 119.26 117.00 3knl h ALA 147 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3knl h ALA 147 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3knl h ALA 147 CO 0.00 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.09 3knl n ASN 148 N -4.86 0.50 0.00 0.00 5.03 -0.91 -3.90 115.26 111.13 3knl n ASN 148 Ca -0.07 -2.01 0.06 0.00 0.87 0.00 0.00 54.58 53.43 3knl n ASN 148 Cb 0.21 -0.21 0.35 0.00 -1.02 0.00 0.00 39.78 39.11 3knl n ASN 148 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3knl n ARG 149 N -0.26 0.34 0.01 3.52 1.74 -1.11 -2.21 116.66 118.70 3knl n ARG 149 Ca 0.01 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3knl n ARG 149 Cb 0.12 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 3knl n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knl h ALA 150 N 2.72 -0.11 0.00 7.54 0.00 -1.83 -3.08 119.26 124.50 3knl h ALA 150 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3knl h ALA 150 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3knl h ALA 150 CO 0.00 -0.23 0.00 0.66 0.00 0.00 0.00 179.25 179.68 3knl n TYR 151 N -4.85 0.00 -0.30 0.00 0.53 -0.94 -4.31 117.16 107.29 3knl n TYR 151 Ca -0.08 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.82 3knl n TYR 151 Cb 0.29 -0.05 0.15 0.00 -1.03 0.00 0.00 39.34 38.71 3knl n TYR 151 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3knl h ALA 152 N 2.48 1.18 0.00 -0.72 0.00 -1.52 -3.19 119.26 117.48 3knl h ALA 152 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3knl h ALA 152 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3knl h ALA 152 CO 0.00 0.18 0.00 -2.39 0.00 0.00 0.00 179.25 177.04 3knl n HIS 153 N -4.68 0.00 0.06 0.00 1.44 -1.26 -2.15 115.22 108.62 3knl n HIS 153 Ca 0.13 -0.03 0.02 0.00 -2.01 0.00 0.00 57.72 55.83 3knl n HIS 153 Cb 0.23 -0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.22 3knl n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3knl n TYR 154 N 0.87 0.00 -0.18 -1.40 0.53 -1.21 -5.05 117.16 110.71 3knl n TYR 154 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.83 3knl n TYR 154 Cb 0.03 -0.06 -0.02 0.00 -1.03 0.00 0.00 39.34 38.26 3knl n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3knl n ARG 155 N -1.47 0.00 0.00 -0.72 1.74 -0.91 -5.09 116.66 110.20 3knl n ARG 155 Ca -0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3knl n ARG 155 Cb 0.09 -0.18 0.33 0.00 -1.02 0.00 0.00 32.46 31.69 3knl n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44