#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmn s VAL 2 N 0.00 4.45 0.61 2.46 -7.23 -1.26 -4.60 120.40 114.82 2kmn s VAL 2 Ca 0.00 1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 61.75 2kmn s VAL 2 Cb 0.00 -4.14 -0.03 0.00 0.56 0.00 0.00 36.38 32.76 2kmn s VAL 2 CO 0.00 0.48 1.03 -0.22 -0.31 0.00 0.00 175.10 176.08 2kmn s LEU 3 N -0.87 3.32 -0.56 1.32 2.96 -1.25 -4.97 118.68 118.63 2kmn s LEU 3 Ca 0.37 1.56 -0.28 0.00 -0.22 0.00 0.00 54.13 55.56 2kmn s LEU 3 Cb -0.23 -4.49 0.02 0.00 0.50 0.00 0.00 46.19 41.99 2kmn s LEU 3 CO 0.26 -1.01 1.27 -1.58 -1.32 0.00 0.00 176.35 173.97 2kmn s GLN 4 N -4.75 3.45 -0.07 1.98 0.74 -1.26 -4.93 119.66 114.81 2kmn s GLN 4 Ca 0.58 0.36 -0.19 0.00 0.05 0.00 0.00 55.36 56.15 2kmn s GLN 4 Cb -0.12 -4.05 -0.05 0.00 1.10 0.00 0.00 33.01 29.89 2kmn s GLN 4 CO 0.47 -1.75 0.53 0.08 -0.55 0.00 0.00 175.29 174.07 2kmn s VAL 5 N 5.33 5.09 0.19 1.34 1.01 -1.26 -3.46 120.40 128.64 2kmn s VAL 5 Ca 0.47 1.08 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 2kmn s VAL 5 Cb -0.09 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 2kmn s VAL 5 CO 0.26 0.36 0.80 -0.76 0.00 0.00 0.00 175.10 175.76 2kmn s LEU 6 N 0.32 4.56 -0.02 3.92 1.43 0.22 -4.90 118.68 124.21 2kmn s LEU 6 Ca 0.29 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.09 2kmn s LEU 6 Cb -0.16 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2kmn s LEU 6 CO 0.13 0.17 -0.08 -1.00 0.23 0.00 0.00 176.35 175.80 2kmn s HIS 7 N -1.23 2.88 0.43 0.29 3.76 -1.26 -3.82 115.29 116.34 2kmn s HIS 7 Ca 0.38 -0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 55.02 2kmn s HIS 7 Cb -0.22 -1.63 -0.11 0.00 1.11 0.00 0.00 32.58 31.73 2kmn s HIS 7 CO 0.26 0.35 0.86 -0.89 -0.85 0.00 0.00 174.74 174.47 2kmn n ILE 8 N 1.77 2.35 -2.21 0.60 2.08 0.46 -1.83 119.36 122.58 2kmn n ILE 8 Ca -0.16 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.26 2kmn n ILE 8 Cb 0.53 -0.96 0.02 0.00 -0.75 0.00 0.00 39.64 38.48 2kmn n ILE 8 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kmn n PRO 9 N 0.19 4.12 -1.68 0.38 -0.04 -1.26 -4.94 135.00 131.76 2kmn n PRO 9 Ca 0.10 -3.92 -0.42 0.00 -0.04 0.00 0.00 63.50 59.22 2kmn n PRO 9 Cb 0.40 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2kmn n PRO 9 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kmn n ASP 10 N 0.03 2.44 -0.16 3.54 8.00 -0.76 -4.90 116.55 124.74 2kmn n ASP 10 Ca 0.51 1.17 -0.06 0.00 0.71 0.00 0.00 54.79 57.12 2kmn n ASP 10 Cb 0.27 -1.46 0.03 0.00 -0.02 0.00 0.00 41.12 39.95 2kmn n ASP 10 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2kmn h GLU 11 N 2.30 0.56 -0.16 -1.24 4.11 -1.97 -2.29 114.58 115.89 2kmn h GLU 11 Ca -0.46 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 58.99 2kmn h GLU 11 Cb 1.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kmn h GLU 11 CO 0.61 0.37 0.19 0.00 0.07 0.00 0.00 179.01 180.26 2kmn h ARG 12 N 0.58 0.00 0.02 1.06 3.08 -1.90 0.81 114.38 118.02 2kmn h ARG 12 Ca 0.19 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.04 2kmn h ARG 12 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2kmn h ARG 12 CO -0.09 0.00 -0.93 -0.07 -1.07 0.00 0.00 179.97 177.82 2kmn h LEU 13 N 0.00 0.26 -1.78 3.04 3.38 -1.59 -2.64 115.31 115.98 2kmn h LEU 13 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kmn h LEU 13 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kmn h LEU 13 CO -0.00 1.05 0.00 0.54 0.09 0.00 0.00 178.44 180.12 2kmn n ARG 14 N -3.62 2.16 -3.37 1.13 5.12 0.05 -3.60 116.66 114.52 2kmn n ARG 14 Ca -0.04 -1.76 -0.28 0.00 -1.93 0.00 0.00 57.85 53.85 2kmn n ARG 14 Cb 0.84 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.67 2kmn n ARG 14 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kmn s LYS 15 N -1.57 3.59 0.11 5.56 2.20 0.26 -4.31 119.74 125.58 2kmn s LYS 15 Ca 0.35 -0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.59 2kmn s LYS 15 Cb 0.20 -2.67 -0.06 0.00 -1.51 0.00 0.00 37.83 33.79 2kmn s LYS 15 CO 0.28 0.22 0.85 0.08 -0.36 0.00 0.00 175.35 176.42 2kmn s VAL 16 N -2.11 4.51 0.13 4.02 1.01 -1.25 -0.58 120.40 126.13 2kmn s VAL 16 Ca 0.43 1.84 -0.21 0.00 0.00 0.00 0.00 61.98 64.04 2kmn s VAL 16 Cb -0.11 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 2kmn s VAL 16 CO 0.31 0.39 0.66 0.00 0.00 0.00 0.00 175.10 176.46 2kmn s ALA 17 N -0.36 3.52 -0.20 5.51 0.00 0.66 -4.70 121.76 126.18 2kmn s ALA 17 Ca 0.41 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 2kmn s ALA 17 Cb -0.23 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 2kmn s ALA 17 CO 0.27 0.36 0.10 0.21 0.00 0.00 0.00 175.76 176.70 2kmn s LYS 18 N -1.33 4.01 -0.34 0.00 2.36 -1.25 -4.25 119.74 118.94 2kmn s LYS 18 Ca 0.34 -0.32 -0.29 0.00 -2.55 0.00 0.00 55.97 53.15 2kmn s LYS 18 Cb -0.20 -3.34 0.01 0.00 -1.05 0.00 0.00 37.83 33.26 2kmn s LYS 18 CO 0.22 0.19 1.15 -1.25 1.55 0.00 0.00 175.35 177.20 2kmn s PRO 19 N 0.64 3.97 0.42 4.03 0.04 -1.26 -1.27 135.00 141.57 2kmn s PRO 19 Ca 0.05 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 61.89 2kmn s PRO 19 Cb -0.13 -3.80 -0.08 0.00 0.04 0.00 0.00 34.50 30.53 2kmn s PRO 19 CO 0.01 -1.04 1.17 0.08 0.04 0.00 0.00 177.00 177.26 2kmn s VAL 20 N 3.99 3.12 0.36 -0.36 1.01 -1.26 -4.93 120.40 122.33 2kmn s VAL 20 Ca 0.49 0.90 0.32 0.00 0.00 0.00 0.00 61.98 63.69 2kmn s VAL 20 Cb -0.13 -3.49 0.34 0.00 0.00 0.00 0.00 36.38 33.11 2kmn s VAL 20 CO 0.20 0.05 2.08 -0.33 0.00 0.00 0.00 175.10 177.10 2kmn h GLU 21 N 2.39 0.00 -2.18 2.72 5.08 -2.03 -3.45 114.58 117.11 2kmn h GLU 21 Ca -0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 2kmn h GLU 21 Cb 1.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 2kmn h GLU 21 CO 0.62 0.08 0.17 -2.00 -1.00 0.00 0.00 179.01 176.88 2kmn s GLU 22 N -4.00 1.07 -0.69 2.33 2.56 -1.26 -5.11 118.70 113.60 2kmn s GLU 22 Ca -0.02 0.14 -0.27 0.00 0.00 0.00 0.00 54.97 54.82 2kmn s GLU 22 Cb 0.12 0.50 0.03 0.00 2.00 0.00 0.00 34.13 36.78 2kmn s GLU 22 CO 0.55 -0.35 1.25 0.08 -0.56 0.00 0.00 175.26 176.22 2kmn s VAL 23 N -1.55 3.81 0.41 3.70 1.01 -1.26 -5.00 120.40 121.52 2kmn s VAL 23 Ca -0.09 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2kmn s VAL 23 Cb -0.00 -4.86 -0.03 0.00 0.00 0.00 0.00 36.38 31.48 2kmn s VAL 23 CO 0.07 -1.71 0.65 0.20 0.00 0.00 0.00 175.10 174.30 2kmn s ASN 24 N 3.52 6.24 0.45 3.32 0.01 -1.26 -4.89 114.94 122.33 2kmn s ASN 24 Ca 0.37 0.62 0.15 0.00 -0.71 0.00 0.00 52.86 53.30 2kmn s ASN 24 Cb -0.08 -2.08 1.09 0.00 0.41 0.00 0.00 41.25 40.59 2kmn s ASN 24 CO 0.18 -0.44 1.99 0.00 -1.51 0.00 0.00 177.10 177.32 2kmn h ALA 25 N 0.52 2.08 -0.20 0.60 0.00 -1.99 0.44 119.26 120.71 2kmn h ALA 25 Ca -0.48 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 2kmn h ALA 25 Cb 1.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kmn h ALA 25 CO 0.61 -0.20 -0.60 0.93 0.00 0.00 0.00 179.25 179.99 2kmn h GLU 26 N 0.33 0.65 -0.15 0.00 5.08 -1.99 -2.19 114.58 116.30 2kmn h GLU 26 Ca 0.26 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2kmn h GLU 26 Cb 0.57 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kmn h GLU 26 CO -0.06 1.06 0.04 0.82 -1.00 0.00 0.00 179.01 179.87 2kmn h ILE 27 N 0.49 1.19 -0.96 3.13 5.03 -0.76 -2.13 117.51 123.49 2kmn h ILE 27 Ca -0.00 -0.59 0.05 0.00 -0.12 0.00 0.00 64.86 64.20 2kmn h ILE 27 Cb 1.17 1.29 -0.06 0.00 -3.03 0.00 0.00 36.82 36.20 2kmn h ILE 27 CO 0.12 0.18 0.62 1.56 -0.68 0.00 0.00 178.15 179.95 2kmn h GLN 28 N 0.06 1.13 -0.81 2.37 1.08 -0.29 -1.30 115.11 117.34 2kmn h GLN 28 Ca 0.05 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2kmn h GLN 28 Cb 0.24 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 2kmn h GLN 28 CO -0.00 0.75 0.47 0.00 -0.95 0.00 0.00 178.83 179.10 2kmn h ARG 29 N 1.17 1.12 0.03 1.46 2.47 -1.19 -0.57 114.38 118.86 2kmn h ARG 29 Ca 0.40 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2kmn h ARG 29 Cb 0.09 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2kmn h ARG 29 CO -0.15 0.80 -0.04 0.82 0.56 0.00 0.00 179.97 181.97 2kmn h ILE 30 N 1.12 0.91 -0.44 2.04 2.04 -0.58 -2.19 117.51 120.41 2kmn h ILE 30 Ca 0.29 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.06 2kmn h ILE 30 Cb -0.01 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2kmn h ILE 30 CO -0.05 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.61 2kmn h VAL 31 N -0.08 1.27 -0.81 1.67 2.07 -1.18 -0.80 116.25 118.40 2kmn h VAL 31 Ca 0.01 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.44 2kmn h VAL 31 Cb 0.08 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 2kmn h VAL 31 CO -0.02 0.40 0.48 0.44 0.02 0.00 0.00 177.57 178.88 2kmn h ASP 32 N 0.66 0.72 0.69 0.57 5.19 -1.01 0.47 116.42 123.71 2kmn h ASP 32 Ca 0.12 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.39 2kmn h ASP 32 Cb 0.60 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 2kmn h ASP 32 CO 0.04 0.44 -0.77 0.44 -3.12 0.00 0.00 179.24 176.27 2kmn h ASP 33 N 0.84 0.07 -0.21 6.45 5.19 -1.33 -2.59 116.42 124.84 2kmn h ASP 33 Ca 0.37 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2kmn h ASP 33 Cb 0.25 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2kmn h ASP 33 CO -0.21 0.81 0.13 0.24 -3.12 0.00 0.00 179.24 177.09 2kmn h MET 34 N 0.03 0.28 -0.27 3.56 2.86 0.58 0.98 114.93 122.95 2kmn h MET 34 Ca -0.01 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.35 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 2kmn h MET 34 CO 0.10 0.22 -0.19 0.27 1.06 0.00 0.00 176.91 178.37 2kmn h PHE 35 N 0.27 0.72 -0.94 -0.22 -5.15 -1.36 0.23 116.94 110.49 2kmn h PHE 35 Ca 0.08 -0.20 0.16 0.00 -0.20 0.00 0.00 57.97 57.81 2kmn h PHE 35 Cb 0.00 -0.16 -0.10 0.00 0.22 0.00 0.00 35.95 35.92 2kmn h PHE 35 CO -0.05 0.89 0.55 0.93 -2.00 0.00 0.00 178.31 178.62 2kmn h GLU 36 N 0.34 0.74 0.40 6.09 4.39 -1.08 0.23 114.58 125.69 2kmn h GLU 36 Ca 0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kmn h GLU 36 Cb 0.73 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2kmn h GLU 36 CO 0.05 0.49 -0.19 1.15 -1.16 0.00 0.00 179.01 179.35 2kmn h THR 37 N 0.76 0.00 -0.92 1.13 2.02 0.14 -2.15 112.91 113.89 2kmn h THR 37 Ca 0.51 -0.39 0.25 0.00 0.77 0.00 0.00 66.41 67.55 2kmn h THR 37 Cb 0.70 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.98 2kmn h THR 37 CO -0.35 0.00 0.38 -0.03 0.37 0.00 0.00 175.52 175.90 2kmn h MET 38 N -0.93 0.31 -0.35 6.66 1.85 0.34 1.28 114.93 124.09 2kmn h MET 38 Ca -0.06 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.89 2kmn h MET 38 Cb 0.41 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 2kmn h MET 38 CO 0.09 0.20 -0.28 1.88 -0.40 0.00 0.00 176.91 178.41 2kmn h TYR 39 N 0.32 0.96 0.00 1.39 0.05 -0.68 0.62 116.97 119.62 2kmn h TYR 39 Ca 0.60 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 2kmn h TYR 39 Cb 1.23 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.76 2kmn h TYR 39 CO -0.15 1.04 -0.00 0.00 -1.05 0.00 0.00 178.16 178.00 2kmn h ALA 40 N 0.76 1.85 0.00 3.88 0.00 0.19 1.09 119.26 127.02 2kmn h ALA 40 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kmn h ALA 40 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kmn h ALA 40 CO 0.07 0.00 -0.24 -1.91 0.00 0.00 0.00 179.25 177.18 2kmn n GLU 41 N -4.32 0.02 -1.97 0.00 4.07 0.24 -4.90 120.64 113.79 2kmn n GLU 41 Ca -0.03 0.01 -0.17 0.00 -0.06 0.00 0.00 57.16 56.91 2kmn n GLU 41 Cb 0.09 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 29.91 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.55 -1.32 -2.79 5.31 1.02 0.37 -4.97 120.64 116.71 2kmn n GLU 42 Ca 0.06 0.97 -0.38 0.00 -0.02 0.00 0.00 57.16 57.79 2kmn n GLU 42 Cb 0.35 -5.34 -0.06 0.00 -0.02 0.00 0.00 31.44 26.37 2kmn n GLU 42 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kmn s GLY 43 N -2.48 2.91 0.00 0.62 0.00 0.20 -4.95 107.32 103.61 2kmn s GLY 43 Ca 0.00 0.53 0.30 0.00 0.00 0.00 0.00 44.72 45.55 2kmn s GLY 43 CO 0.00 1.02 2.10 1.39 0.00 0.00 0.00 173.10 177.61 2kmn n ILE 44 N 0.92 0.02 0.00 0.90 2.08 -1.26 -4.38 119.36 117.63 2kmn n ILE 44 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2kmn n ILE 44 Cb 0.49 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 38.85 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kmn n GLY 45 N 0.98 1.22 3.11 7.39 0.00 -1.26 0.24 105.19 116.86 2kmn n GLY 45 Ca 0.20 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 2kmn n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kmn s LEU 46 N 0.00 1.87 -0.17 0.99 2.96 0.31 -4.91 118.68 119.74 2kmn s LEU 46 Ca 0.00 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 2kmn s LEU 46 Cb 0.00 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 2kmn s LEU 46 CO 0.00 0.13 0.22 0.00 -1.32 0.00 0.00 176.35 175.38 2kmn s ALA 47 N 0.14 3.65 0.16 5.97 0.00 -1.26 -1.30 121.76 129.12 2kmn s ALA 47 Ca -0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 2kmn s ALA 47 Cb -0.12 -2.28 0.17 0.00 0.00 0.00 0.00 23.12 20.89 2kmn s ALA 47 CO 0.02 0.17 1.07 0.00 0.00 0.00 0.00 175.76 177.02 2kmn n ALA 48 N 3.38 -0.08 -0.25 0.00 0.00 0.18 0.69 120.51 124.43 2kmn n ALA 48 Ca -0.14 0.68 0.16 0.00 0.00 0.00 0.00 53.44 54.15 2kmn n ALA 48 Cb 0.52 -0.31 0.46 0.00 0.00 0.00 0.00 19.45 20.13 2kmn n ALA 48 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kmn h THR 49 N 0.00 0.74 -0.39 0.00 1.35 -1.75 0.42 112.91 113.28 2kmn h THR 49 Ca 0.24 -0.17 -0.10 0.00 -0.55 0.00 0.00 66.41 65.83 2kmn h THR 49 Cb 0.41 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 2kmn h THR 49 CO -0.68 0.09 -0.16 1.56 -0.25 0.00 0.00 175.52 176.08 2kmn h GLN 50 N 0.51 0.72 -0.47 4.72 4.20 -0.02 -2.14 115.11 122.63 2kmn h GLN 50 Ca 0.46 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2kmn h GLN 50 Cb 0.98 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2kmn h GLN 50 CO -0.19 0.84 0.00 1.33 -0.67 0.00 0.00 178.83 180.14 2kmn n VAL 51 N -4.15 0.59 -2.18 -0.54 0.24 0.14 0.71 118.33 113.13 2kmn n VAL 51 Ca 0.01 -0.41 -0.02 0.00 -2.04 0.00 0.00 64.34 61.87 2kmn n VAL 51 Cb 0.38 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2kmn n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kmn n ASP 52 N 0.27 -1.78 -3.92 -1.34 2.03 -0.71 -4.23 116.55 106.87 2kmn n ASP 52 Ca 0.09 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 55.09 2kmn n ASP 52 Cb 0.36 -1.00 -0.16 0.00 -0.72 0.00 0.00 41.12 39.59 2kmn n ASP 52 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmn s ILE 53 N -2.34 1.34 -1.21 5.18 -5.25 -0.45 -4.98 121.20 113.50 2kmn s ILE 53 Ca 0.02 -0.93 -0.15 0.00 -0.99 0.00 0.00 60.65 58.60 2kmn s ILE 53 Cb -0.01 -1.56 -0.05 0.00 2.95 0.00 0.00 42.46 43.79 2kmn s ILE 53 CO 0.02 0.03 2.24 0.00 -1.79 0.00 0.00 174.94 175.44 2kmn n HIS 54 N 4.77 2.56 -3.66 1.37 1.44 -1.26 -2.83 115.22 117.61 2kmn n HIS 54 Ca -0.12 -2.51 -0.10 0.00 -2.01 0.00 0.00 57.72 52.97 2kmn n HIS 54 Cb 0.46 -2.17 -0.08 0.00 0.12 0.00 0.00 29.99 28.32 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmn s GLN 55 N 3.60 0.67 -0.27 -1.40 -0.21 -1.26 -3.88 119.66 116.90 2kmn s GLN 55 Ca 0.53 1.01 -0.28 0.00 0.02 0.00 0.00 55.36 56.64 2kmn s GLN 55 Cb 0.14 0.20 -0.31 0.00 1.00 0.00 0.00 33.01 34.04 2kmn s GLN 55 CO -0.02 -0.13 1.71 0.54 -2.12 0.00 0.00 175.29 175.28 2kmn n ARG 56 N 3.67 0.41 -4.12 2.91 1.74 -0.40 -4.49 116.66 116.38 2kmn n ARG 56 Ca -0.18 -1.28 -0.34 0.00 -0.77 0.00 0.00 57.85 55.28 2kmn n ARG 56 Cb 0.57 -2.70 -0.14 0.00 -1.02 0.00 0.00 32.46 29.17 2kmn n ARG 56 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2kmn s ILE 57 N 7.09 3.18 0.05 0.55 -1.09 -1.26 0.12 121.20 129.84 2kmn s ILE 57 Ca 0.67 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 58.57 2kmn s ILE 57 Cb 0.14 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2kmn s ILE 57 CO 0.28 0.46 -0.15 0.27 -1.23 0.00 0.00 174.94 174.56 2kmn s ILE 58 N 1.19 1.23 -0.02 2.92 -5.25 -0.36 0.52 121.20 121.43 2kmn s ILE 58 Ca 0.02 -1.10 0.05 0.00 -0.99 0.00 0.00 60.65 58.63 2kmn s ILE 58 Cb -0.14 -1.11 -0.01 0.00 2.95 0.00 0.00 42.46 44.14 2kmn s ILE 58 CO -0.02 0.00 -0.15 0.68 -1.79 0.00 0.00 174.94 173.65 2kmn s VAL 59 N -0.91 1.25 0.10 8.37 -7.23 -0.42 -0.68 120.40 120.88 2kmn s VAL 59 Ca 0.02 -0.66 0.08 0.00 -1.81 0.00 0.00 61.98 59.62 2kmn s VAL 59 Cb -0.08 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2kmn s VAL 59 CO 0.02 0.36 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.38 2kmn s ILE 60 N -0.23 3.02 -0.07 -0.62 -1.09 0.30 -0.53 121.20 121.96 2kmn s ILE 60 Ca 0.03 -1.38 0.21 0.00 -2.23 0.00 0.00 60.65 57.29 2kmn s ILE 60 Cb -0.07 -2.38 0.43 0.00 -1.58 0.00 0.00 42.46 38.86 2kmn s ILE 60 CO 0.00 0.14 1.18 -0.67 -1.23 0.00 0.00 174.94 174.36 2kmn n ASP 61 N 0.88 1.28 -4.49 3.58 2.03 0.65 -0.48 116.55 120.01 2kmn n ASP 61 Ca -0.15 -2.55 -0.42 0.00 0.52 0.00 0.00 54.79 52.18 2kmn n ASP 61 Cb 0.52 -0.37 -0.09 0.00 -0.72 0.00 0.00 41.12 40.46 2kmn n ASP 61 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kmn s VAL 62 N -1.12 5.19 -0.71 5.18 1.01 -1.11 -4.69 120.40 124.15 2kmn s VAL 62 Ca 0.35 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2kmn s VAL 62 Cb 0.38 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.59 2kmn s VAL 62 CO -0.13 -0.29 1.58 -1.20 0.00 0.00 0.00 175.10 175.06 2kmn n SER 63 N 5.34 -1.16 0.27 3.32 7.64 -1.26 -4.71 113.62 123.06 2kmn n SER 63 Ca -0.10 -0.47 0.18 0.00 1.01 0.00 0.00 58.87 59.49 2kmn n SER 63 Cb 0.48 -0.41 0.85 0.00 -1.01 0.00 0.00 64.21 64.12 2kmn n SER 63 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kmn h GLU 64 N 8.30 0.00 0.00 1.43 4.81 -1.93 -3.42 114.58 123.77 2kmn h GLU 64 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2kmn h GLU 64 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2kmn h GLU 64 CO 1.21 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.78 2kmn n ASN 65 N -3.23 0.00 0.00 1.04 4.05 -1.26 -5.03 115.26 110.84 2kmn n ASN 65 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2kmn n ASN 65 Cb 0.39 0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.52 2kmn n ASN 65 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2kmn n ARG 66 N -1.33 0.00 -4.24 1.20 1.74 -1.26 -5.04 116.66 107.73 2kmn n ARG 66 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2kmn n ARG 66 Cb 0.00 -0.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.63 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kmn s ASP 67 N -4.57 5.28 -0.11 0.55 1.11 -1.26 -4.99 116.67 112.68 2kmn s ASP 67 Ca 0.00 0.05 -0.25 0.00 0.18 0.00 0.00 52.55 52.53 2kmn s ASP 67 Cb 0.00 -1.77 -0.03 0.00 1.07 0.00 0.00 42.92 42.20 2kmn s ASP 67 CO 0.00 0.24 0.80 -1.61 1.18 0.00 0.00 175.17 175.78 2kmn s GLU 68 N -0.06 4.38 0.00 8.23 2.02 -1.26 -4.09 118.70 127.93 2kmn s GLU 68 Ca 0.04 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.04 2kmn s GLU 68 Cb -0.13 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.59 2kmn s GLU 68 CO 0.02 -0.14 0.00 -2.13 0.02 0.00 0.00 175.26 173.03 2kmn n ARG 69 N 4.50 0.00 -4.06 1.61 0.63 -1.26 -5.01 116.66 113.07 2kmn n ARG 69 Ca 0.02 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.60 2kmn n ARG 69 Cb 0.50 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.32 2kmn n ARG 69 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kmn s LEU 70 N 0.00 3.84 -0.03 6.15 2.01 0.36 -5.00 118.68 126.02 2kmn s LEU 70 Ca 0.00 0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.29 2kmn s LEU 70 Cb 0.00 -1.95 0.01 0.00 0.01 0.00 0.00 46.19 44.27 2kmn s LEU 70 CO 0.00 0.24 -0.04 0.54 1.01 0.00 0.00 176.35 178.10 2kmn s VAL 71 N -0.05 0.44 -0.00 -1.59 0.11 -1.26 0.11 120.40 118.16 2kmn s VAL 71 Ca 0.06 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2kmn s VAL 71 Cb -0.12 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 2kmn s VAL 71 CO 0.01 0.18 0.02 -0.76 -3.33 0.00 0.00 175.10 171.22 2kmn s LEU 72 N 0.56 1.95 -0.06 2.54 2.01 0.15 -4.31 118.68 121.53 2kmn s LEU 72 Ca -0.07 -0.06 0.06 0.00 0.01 0.00 0.00 54.13 54.07 2kmn s LEU 72 Cb -0.10 0.11 -0.01 0.00 0.01 0.00 0.00 46.19 46.20 2kmn s LEU 72 CO -0.00 -0.08 -0.24 -0.63 1.01 0.00 0.00 176.35 176.42 2kmn s ILE 73 N -0.31 1.94 -1.45 -0.59 1.09 0.48 -1.23 121.20 121.13 2kmn s ILE 73 Ca -0.03 -1.00 -0.09 0.00 -1.10 0.00 0.00 60.65 58.42 2kmn s ILE 73 Cb -0.02 -1.64 0.05 0.00 -1.06 0.00 0.00 42.46 39.79 2kmn s ILE 73 CO -0.00 0.54 0.73 0.59 -0.10 0.00 0.00 174.94 176.70 2kmn n ASN 74 N 2.99 -4.98 -4.66 3.58 5.03 0.33 -1.75 115.26 115.81 2kmn n ASN 74 Ca -0.18 -0.48 -0.38 0.00 0.87 0.00 0.00 54.58 54.41 2kmn n ASN 74 Cb 0.52 -4.02 0.05 0.00 -1.02 0.00 0.00 39.78 35.31 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2kmn n PRO 75 N -4.20 1.12 -3.93 3.52 -0.02 -1.25 -4.74 135.00 125.50 2kmn n PRO 75 Ca -0.02 0.43 -0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2kmn n PRO 75 Cb 0.56 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 2kmn n PRO 75 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2kmn s GLU 76 N -2.84 0.13 0.19 -0.52 -1.05 0.20 -4.94 118.70 109.87 2kmn s GLU 76 Ca 0.75 -0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 55.07 2kmn s GLU 76 Cb -0.42 -0.01 -0.08 0.00 -0.44 0.00 0.00 34.13 33.19 2kmn s GLU 76 CO 0.47 -0.00 0.95 -1.17 0.95 0.00 0.00 175.26 176.45 2kmn s LEU 77 N -0.46 4.59 -0.08 1.83 2.96 -1.26 0.00 118.68 126.26 2kmn s LEU 77 Ca -0.05 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.78 2kmn s LEU 77 Cb -0.03 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.99 2kmn s LEU 77 CO -0.00 0.08 -0.05 0.18 -1.32 0.00 0.00 176.35 175.24 2kmn n LEU 78 N 1.97 2.07 -3.55 -0.68 4.32 0.69 -4.89 117.00 116.93 2kmn n LEU 78 Ca -0.00 -0.03 -0.17 0.00 -0.02 0.00 0.00 56.01 55.78 2kmn n LEU 78 Cb 0.48 -0.16 -0.06 0.00 -1.62 0.00 0.00 43.42 42.05 2kmn n LEU 78 CO 0.50 0.50 0.40 -0.70 -1.22 0.00 0.00 177.39 176.88 2kmn s GLU 79 N -2.18 1.01 -0.01 3.23 2.12 -0.57 -4.93 118.70 117.39 2kmn s GLU 79 Ca -0.09 0.25 -0.10 0.00 0.36 0.00 0.00 54.97 55.39 2kmn s GLU 79 Cb 0.03 0.48 0.01 0.00 0.26 0.00 0.00 34.13 34.90 2kmn s GLU 79 CO 0.23 -0.31 0.20 -1.59 -0.54 0.00 0.00 175.26 173.26 2kmn s LYS 80 N -1.13 0.54 -0.15 4.30 -2.85 -1.26 -0.90 119.74 118.29 2kmn s LYS 80 Ca -0.11 -0.30 -0.26 0.00 -1.00 0.00 0.00 55.97 54.30 2kmn s LYS 80 Cb -0.01 0.23 0.06 0.00 -2.06 0.00 0.00 37.83 36.06 2kmn s LYS 80 CO 0.09 -0.14 0.65 -1.54 0.10 0.00 0.00 175.35 174.51 2kmn s SER 81 N -1.31 -0.65 0.03 0.03 1.04 0.11 -4.96 113.70 107.98 2kmn s SER 81 Ca -0.14 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.28 2kmn s SER 81 Cb -0.07 0.93 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2kmn s SER 81 CO 0.02 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2kmn n GLY 82 N 1.83 -2.76 2.92 7.32 0.00 -1.26 0.99 105.19 114.24 2kmn n GLY 82 Ca -0.17 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2kmn n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kmn s GLU 83 N -3.59 1.60 0.27 1.61 2.56 -1.26 -1.51 118.70 118.37 2kmn s GLU 83 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 54.97 54.35 2kmn s GLU 83 Cb 0.00 -2.24 -0.03 0.00 2.00 0.00 0.00 34.13 33.86 2kmn s GLU 83 CO 0.00 -0.47 0.20 0.95 -0.56 0.00 0.00 175.26 175.38 2kmn s THR 84 N 1.53 4.21 -0.22 -1.70 -4.23 0.15 -4.89 115.64 110.50 2kmn s THR 84 Ca -0.01 -1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2kmn s THR 84 Cb -0.16 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.43 2kmn s THR 84 CO -0.08 -0.32 0.12 -0.83 -0.54 0.00 0.00 174.62 172.97 2kmn s GLY 85 N -3.86 0.38 -0.08 3.99 0.00 -1.26 -1.88 107.32 104.61 2kmn s GLY 85 Ca 0.34 -0.58 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 2kmn s GLY 85 CO 0.25 1.90 0.19 -0.42 0.00 0.00 0.00 173.10 175.02 2kmn s ILE 86 N 2.14 -0.02 0.36 0.90 1.01 -1.23 -4.89 121.20 119.47 2kmn s ILE 86 Ca 0.05 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.51 2kmn s ILE 86 Cb -0.16 -0.28 -0.09 0.00 0.01 0.00 0.00 42.46 41.94 2kmn s ILE 86 CO -0.20 0.03 1.12 -1.61 0.00 0.00 0.00 174.94 174.28 2kmn s GLU 87 N 0.61 4.26 0.25 2.79 2.02 -1.26 -2.29 118.70 125.08 2kmn s GLU 87 Ca -0.04 1.75 -0.18 0.00 0.02 0.00 0.00 54.97 56.52 2kmn s GLU 87 Cb -0.06 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.39 2kmn s GLU 87 CO -0.03 -0.11 0.60 -1.21 0.02 0.00 0.00 175.26 174.52 2kmn s GLU 88 N -2.09 1.62 0.36 1.61 2.02 -0.58 -4.85 118.70 116.79 2kmn s GLU 88 Ca 0.53 -1.03 0.09 0.00 0.02 0.00 0.00 54.97 54.58 2kmn s GLU 88 Cb -0.29 0.55 -0.07 0.00 0.10 0.00 0.00 34.13 34.42 2kmn s GLU 88 CO 0.37 -0.71 -0.07 0.20 0.02 0.00 0.00 175.26 175.06 2kmn s GLY 89 N -2.94 2.26 -0.06 -1.39 0.00 -1.26 -0.29 107.32 103.63 2kmn s GLY 89 Ca 0.14 -2.14 0.04 0.00 0.00 0.00 0.00 44.72 42.76 2kmn s GLY 89 CO 0.05 -2.05 -0.17 0.00 0.00 0.00 0.00 173.10 170.93 2kmn h LEU 91 N 5.69 0.25 -0.29 0.00 7.12 -1.92 0.61 115.31 126.77 2kmn h LEU 91 Ca -0.40 0.03 -0.18 0.00 0.13 0.00 0.00 57.88 57.46 2kmn h LEU 91 Cb 1.16 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 2kmn h LEU 91 CO 0.50 0.08 -0.86 0.28 -0.13 0.00 0.00 178.44 178.31 2kmn h SER 92 N 0.24 0.05 -3.67 1.25 0.02 -1.86 -3.45 113.55 106.13 2kmn h SER 92 Ca 0.48 -0.04 -0.50 0.00 -0.84 0.00 0.00 61.79 60.89 2kmn h SER 92 Cb 1.48 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 2kmn h SER 92 CO -0.13 0.89 0.09 -0.63 -1.14 0.00 0.00 176.83 175.91 2kmn s ILE 93 N -3.08 4.65 0.00 3.27 1.01 0.21 -0.40 121.20 126.87 2kmn s ILE 93 Ca -0.00 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.64 2kmn s ILE 93 Cb 0.11 -3.68 -0.16 0.00 0.01 0.00 0.00 42.46 38.74 2kmn s ILE 93 CO 0.80 -0.07 2.59 -0.81 0.00 0.00 0.00 174.94 177.46 2kmn n PRO 94 N -0.04 1.36 -1.00 2.79 -0.04 -1.26 -4.49 135.00 132.32 2kmn n PRO 94 Ca 0.02 -0.59 -0.00 0.00 -0.04 0.00 0.00 63.50 62.88 2kmn n PRO 94 Cb 0.52 -1.71 -0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2kmn n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kmn n GLU 95 N 2.39 -0.12 -2.48 0.54 2.13 -1.26 -4.96 120.64 116.88 2kmn n GLU 95 Ca 0.26 0.07 -0.39 0.00 0.66 0.00 0.00 57.16 57.76 2kmn n GLU 95 Cb 0.63 -3.20 -0.03 0.00 0.27 0.00 0.00 31.44 29.11 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2kmn s GLN 96 N -0.28 3.45 0.01 5.31 -0.21 -1.26 -4.88 119.66 121.81 2kmn s GLN 96 Ca 0.00 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.04 2kmn s GLN 96 Cb 0.00 -5.33 -0.05 0.00 1.00 0.00 0.00 33.01 28.63 2kmn s GLN 96 CO 0.00 -2.42 0.76 1.03 -2.12 0.00 0.00 175.29 172.54 2kmn s ARG 97 N 5.24 4.48 0.08 2.91 0.52 -1.25 -4.57 118.95 126.35 2kmn s ARG 97 Ca 0.51 1.04 0.03 0.00 -0.52 0.00 0.00 55.73 56.79 2kmn s ARG 97 Cb -0.01 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2kmn s ARG 97 CO -0.06 0.21 -0.09 0.00 0.02 0.00 0.00 175.30 175.37 2kmn s ALA 98 N 0.22 0.93 0.18 2.13 0.00 0.60 -4.67 121.76 121.14 2kmn s ALA 98 Ca 0.39 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 2kmn s ALA 98 Cb -0.20 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2kmn s ALA 98 CO 0.22 -0.05 1.10 -1.17 0.00 0.00 0.00 175.76 175.86 2kmn s LEU 99 N -2.21 4.49 -0.04 0.00 0.20 -1.26 -1.52 118.68 118.35 2kmn s LEU 99 Ca 0.01 2.09 0.03 0.00 0.69 0.00 0.00 54.13 56.95 2kmn s LEU 99 Cb -0.04 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 2kmn s LEU 99 CO -0.00 -0.22 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.04 2kmn s VAL 100 N -0.27 0.97 -0.15 1.68 1.01 -0.97 -4.85 120.40 117.82 2kmn s VAL 100 Ca 0.49 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 2kmn s VAL 100 Cb -0.29 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 2kmn s VAL 100 CO 0.35 0.30 0.90 -2.16 0.00 0.00 0.00 175.10 174.49 2kmn s PRO 101 N 0.25 4.34 0.13 2.72 0.04 -1.26 -3.50 135.00 137.73 2kmn s PRO 101 Ca -0.05 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2kmn s PRO 101 Cb -0.10 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 2kmn s PRO 101 CO 0.01 -0.34 0.11 -0.98 0.04 0.00 0.00 177.00 175.85 2kmn s ARG 102 N 2.15 0.96 0.67 4.56 3.03 -0.79 -4.95 118.95 124.57 2kmn s ARG 102 Ca 0.42 -1.35 -0.15 0.00 2.03 0.00 0.00 55.73 56.67 2kmn s ARG 102 Cb -0.17 0.28 0.00 0.00 -1.03 0.00 0.00 34.95 34.03 2kmn s ARG 102 CO 0.14 -0.29 1.12 0.00 -1.13 0.00 0.00 175.30 175.14 2kmn s ALA 103 N -4.02 2.43 0.05 7.88 0.00 -1.24 0.34 121.76 127.19 2kmn s ALA 103 Ca 0.21 0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 2kmn s ALA 103 Cb 0.06 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.68 2kmn s ALA 103 CO 0.01 -1.34 1.26 1.49 0.00 0.00 0.00 175.76 177.17 2kmn h GLU 104 N 0.00 0.51 -3.81 0.00 4.57 0.17 -3.40 114.58 112.62 2kmn h GLU 104 Ca -0.47 -0.38 -0.26 0.00 -1.18 0.00 0.00 59.36 57.07 2kmn h GLU 104 Cb 1.25 0.07 -0.29 0.00 -0.16 0.00 0.00 28.75 29.62 2kmn h GLU 104 CO 0.54 1.00 -0.73 0.15 -1.18 0.00 0.00 179.01 178.79 2kmn s LYS 105 N -3.81 0.09 -0.10 1.92 1.02 -0.59 -0.58 119.74 117.70 2kmn s LYS 105 Ca -0.13 -0.01 -0.09 0.00 0.02 0.00 0.00 55.97 55.76 2kmn s LYS 105 Cb 0.06 -0.13 0.03 0.00 -0.52 0.00 0.00 37.83 37.26 2kmn s LYS 105 CO 0.81 -0.01 0.27 0.14 -0.92 0.00 0.00 175.35 175.65 2kmn s VAL 106 N 0.15 0.00 -0.20 3.17 -7.23 0.31 -0.72 120.40 115.89 2kmn s VAL 106 Ca -0.01 -0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.08 2kmn s VAL 106 Cb -0.03 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 2kmn s VAL 106 CO -0.00 -0.01 0.02 -0.54 -0.31 0.00 0.00 175.10 174.25 2kmn s LYS 107 N 0.08 3.69 0.18 4.82 -0.14 -0.08 0.37 119.74 128.66 2kmn s LYS 107 Ca -0.01 -0.49 0.05 0.00 -1.36 0.00 0.00 55.97 54.17 2kmn s LYS 107 Cb -0.02 -3.12 -0.05 0.00 -1.68 0.00 0.00 37.83 32.96 2kmn s LYS 107 CO 0.00 0.05 -0.10 0.96 -0.76 0.00 0.00 175.35 175.50 2kmn s ILE 108 N 0.92 1.33 -0.12 2.17 -5.25 0.50 -0.22 121.20 120.53 2kmn s ILE 108 Ca 0.02 -2.10 -0.03 0.00 -0.99 0.00 0.00 60.65 57.54 2kmn s ILE 108 Cb -0.14 -1.97 -0.03 0.00 2.95 0.00 0.00 42.46 43.26 2kmn s ILE 108 CO 0.02 -0.65 -0.01 -0.13 -1.79 0.00 0.00 174.94 172.38 2kmn s ARG 109 N -3.73 3.35 0.23 0.37 0.52 0.10 0.29 118.95 120.08 2kmn s ARG 109 Ca 0.20 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.79 2kmn s ARG 109 Cb 0.02 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.63 2kmn s ARG 109 CO 0.03 0.48 0.56 0.00 0.02 0.00 0.00 175.30 176.39 2kmn s ALA 110 N -0.26 -0.82 0.14 2.13 0.00 0.12 0.60 121.76 123.66 2kmn s ALA 110 Ca 0.06 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.68 2kmn s ALA 110 Cb -0.12 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2kmn s ALA 110 CO 0.02 -0.88 -0.15 -0.48 0.00 0.00 0.00 175.76 174.27 2kmn s LEU 111 N -2.92 2.81 0.56 0.00 0.05 -0.71 0.15 118.68 118.61 2kmn s LEU 111 Ca 0.13 -0.57 -0.06 0.00 0.05 0.00 0.00 54.13 53.69 2kmn s LEU 111 Cb -0.02 -1.59 -0.00 0.00 -2.05 0.00 0.00 46.19 42.52 2kmn s LEU 111 CO 0.03 0.15 0.87 -0.62 -0.55 0.00 0.00 176.35 176.23 2kmn s ASP 112 N -2.41 5.78 0.43 1.48 2.15 -0.98 0.18 116.67 123.31 2kmn s ASP 112 Ca 0.21 0.77 0.21 0.00 0.43 0.00 0.00 52.55 54.17 2kmn s ASP 112 Cb -0.10 -1.85 1.16 0.00 -0.30 0.00 0.00 42.92 41.83 2kmn s ASP 112 CO 0.12 -0.92 1.61 -0.09 -0.17 0.00 0.00 175.17 175.72 2kmn h ARG 113 N -0.06 0.00 0.00 4.34 2.43 -1.93 0.45 114.38 119.61 2kmn h ARG 113 Ca -0.46 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2kmn h ARG 113 Cb 1.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2kmn h ARG 113 CO 0.61 0.00 -0.55 -0.44 -1.51 0.00 0.00 179.97 178.08 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 5.19 -1.95 -3.47 116.42 112.39 2kmn h ASP 114 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kmn h ASP 114 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2kmn h ASP 114 CO 0.00 0.55 0.00 0.61 -3.12 0.00 0.00 179.24 177.28 2kmn n GLY 115 N 1.16 1.45 2.82 2.75 0.00 0.16 -5.10 105.19 108.43 2kmn n GLY 115 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2kmn n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmn s LYS 116 N -0.32 1.01 -0.27 1.61 1.02 -1.25 -4.90 119.74 116.64 2kmn s LYS 116 Ca 0.00 -1.13 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 2kmn s LYS 116 Cb 0.00 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2kmn s LYS 116 CO 0.00 -0.87 1.44 -2.14 -0.92 0.00 0.00 175.35 172.86 2kmn s PRO 117 N 1.47 3.85 0.29 -1.68 0.02 -1.26 -2.32 135.00 135.37 2kmn s PRO 117 Ca 0.06 1.41 0.03 0.00 0.02 0.00 0.00 61.00 62.52 2kmn s PRO 117 Cb -0.18 -3.95 -0.06 0.00 0.02 0.00 0.00 34.50 30.33 2kmn s PRO 117 CO -0.17 -1.21 0.05 -0.59 -0.33 0.00 0.00 177.00 174.75 2kmn s PHE 118 N 4.77 1.82 -0.17 6.54 -0.12 0.39 -4.88 117.98 126.34 2kmn s PHE 118 Ca 0.63 -0.98 -0.05 0.00 -0.05 0.00 0.00 56.93 56.48 2kmn s PHE 118 Cb -0.20 -1.14 -0.03 0.00 -0.63 0.00 0.00 43.02 41.02 2kmn s PHE 118 CO 0.26 -0.04 0.01 -1.21 -0.05 0.00 0.00 175.22 174.18 2kmn s GLU 119 N -3.90 3.80 0.01 1.99 8.01 -1.26 0.13 118.70 127.48 2kmn s GLU 119 Ca 0.35 -0.44 0.07 0.00 0.01 0.00 0.00 54.97 54.96 2kmn s GLU 119 Cb 0.08 -3.05 -0.02 0.00 -4.31 0.00 0.00 34.13 26.83 2kmn s GLU 119 CO 0.14 0.27 -0.20 -0.48 0.01 0.00 0.00 175.26 174.99 2kmn s LEU 120 N 0.34 2.09 -0.23 1.80 2.34 0.14 -4.97 118.68 120.19 2kmn s LEU 120 Ca -0.01 -0.42 -0.15 0.00 0.06 0.00 0.00 54.13 53.60 2kmn s LEU 120 Cb -0.13 -1.02 -0.04 0.00 -0.56 0.00 0.00 46.19 44.44 2kmn s LEU 120 CO 0.02 0.22 0.39 -1.83 -1.06 0.00 0.00 176.35 174.08 2kmn s GLU 121 N -0.73 4.11 -0.08 1.48 -1.05 -1.26 -0.37 118.70 120.79 2kmn s GLU 121 Ca 0.08 0.14 0.03 0.00 -0.15 0.00 0.00 54.97 55.07 2kmn s GLU 121 Cb -0.08 -3.58 -0.01 0.00 -0.44 0.00 0.00 34.13 30.01 2kmn s GLU 121 CO 0.00 -0.13 -0.18 0.00 0.95 0.00 0.00 175.26 175.90 2kmn s ALA 122 N 1.60 2.45 0.25 -0.84 0.00 0.16 -4.95 121.76 120.42 2kmn s ALA 122 Ca 0.17 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2kmn s ALA 122 Cb -0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 2kmn s ALA 122 CO 0.08 0.38 -0.07 -0.51 0.00 0.00 0.00 175.76 175.64 2kmn s ASP 123 N -0.08 2.57 0.48 0.00 1.11 -1.26 0.11 116.67 119.60 2kmn s ASP 123 Ca -0.04 -1.15 0.00 0.00 0.18 0.00 0.00 52.55 51.54 2kmn s ASP 123 Cb -0.14 -0.13 0.00 0.00 1.07 0.00 0.00 42.92 43.72 2kmn s ASP 123 CO 0.04 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.68 2kmn n GLY 124 N -0.50 2.45 0.39 0.21 0.00 0.26 -1.14 105.19 106.85 2kmn n GLY 124 Ca -0.06 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 45.99 2kmn n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kmn h LEU 125 N 0.00 0.45 0.17 0.99 3.38 -1.98 0.33 115.31 118.65 2kmn h LEU 125 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kmn h LEU 125 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kmn h LEU 125 CO 0.00 0.21 -0.08 0.25 0.09 0.00 0.00 178.44 178.91 2kmn h LEU 126 N 0.46 -0.20 -0.73 1.67 6.46 -1.50 -2.15 115.31 119.32 2kmn h LEU 126 Ca 0.42 -0.33 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2kmn h LEU 126 Cb 0.95 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 2kmn h LEU 126 CO -0.16 0.29 0.46 0.00 -0.62 0.00 0.00 178.44 178.42 2kmn h ALA 127 N -0.14 0.94 0.43 1.25 0.00 -0.51 -1.24 119.26 120.00 2kmn h ALA 127 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kmn h ALA 127 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kmn h ALA 127 CO 0.04 0.27 -0.20 0.82 0.00 0.00 0.00 179.25 180.17 2kmn h ILE 128 N 0.92 0.54 -0.14 0.00 1.08 -0.43 -2.19 117.51 117.29 2kmn h ILE 128 Ca 0.28 -0.38 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2kmn h ILE 128 Cb -0.02 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 2kmn h ILE 128 CO -0.10 0.07 -0.01 0.00 -0.69 0.00 0.00 178.15 177.42 2kmn h ILE 130 N 0.04 1.15 -0.61 0.00 2.10 -1.29 -1.60 117.51 117.31 2kmn h ILE 130 Ca 0.06 -0.34 -0.09 0.00 1.08 0.00 0.00 64.86 65.58 2kmn h ILE 130 Cb 0.08 0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 35.86 2kmn h ILE 130 CO -0.12 0.18 0.04 1.56 -1.08 0.00 0.00 178.15 178.74 2kmn h GLN 131 N 1.00 1.04 -0.26 2.19 4.20 -1.14 -2.45 115.11 119.69 2kmn h GLN 131 Ca 0.30 -0.31 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2kmn h GLN 131 Cb -0.05 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 2kmn h GLN 131 CO -0.09 1.00 0.01 1.25 -0.67 0.00 0.00 178.83 180.33 2kmn h HIS 132 N 0.94 -0.00 -0.73 2.96 2.76 -0.50 -2.26 115.15 118.32 2kmn h HIS 132 Ca 0.18 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2kmn h HIS 132 Cb 0.50 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 2kmn h HIS 132 CO 0.04 -0.04 0.45 0.93 -1.30 0.00 0.00 177.93 178.01 2kmn h GLU 133 N 0.09 0.98 -0.13 5.26 4.39 -1.16 0.15 114.58 124.16 2kmn h GLU 133 Ca 0.13 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.76 2kmn h GLU 133 Cb 0.16 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2kmn h GLU 133 CO -0.21 0.69 0.00 0.52 -1.16 0.00 0.00 179.01 178.85 2kmn h MET 134 N 0.99 0.05 -0.32 2.33 2.86 -0.95 0.31 114.93 120.20 2kmn h MET 134 Ca 0.26 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2kmn h MET 134 Cb -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2kmn h MET 134 CO -0.05 0.03 0.14 0.38 1.06 0.00 0.00 176.91 178.46 2kmn h ASP 135 N 0.05 0.44 -0.03 1.22 3.04 -1.22 -2.28 116.42 117.64 2kmn h ASP 135 Ca 0.06 -0.16 0.02 0.00 -3.24 0.00 0.00 57.03 53.72 2kmn h ASP 135 Cb 0.07 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 38.22 2kmn h ASP 135 CO -0.10 0.47 -0.11 -0.74 -2.04 0.00 0.00 179.24 176.72 2kmn h HIS 136 N 0.37 -0.29 -0.09 4.15 2.76 -0.18 0.22 115.15 122.10 2kmn h HIS 136 Ca 0.11 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 136 Cb 0.17 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 2kmn h HIS 136 CO -0.01 -0.17 0.06 1.37 -1.30 0.00 0.00 177.93 177.88 2kmn h LEU 137 N -0.18 0.08 -1.44 0.26 8.10 -0.27 0.79 115.31 122.65 2kmn h LEU 137 Ca 0.05 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.04 2kmn h LEU 137 Cb 0.25 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2kmn h LEU 137 CO -0.13 0.06 0.00 0.55 -4.11 0.00 0.00 178.44 174.81 2kmn n VAL 138 N -4.52 0.48 -1.45 0.15 3.14 -0.87 -0.24 118.33 115.02 2kmn n VAL 138 Ca -0.01 -0.22 -0.15 0.00 -2.96 0.00 0.00 64.34 60.99 2kmn n VAL 138 Cb 0.11 -0.49 -0.07 0.00 -1.06 0.00 0.00 33.84 32.33 2kmn n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kmn n GLY 139 N 0.10 1.48 3.42 7.55 0.00 0.27 -3.96 105.19 114.05 2kmn n GLY 139 Ca 0.05 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2kmn n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmn s LYS 140 N -3.30 3.47 0.02 1.61 -2.85 0.73 -4.07 119.74 115.36 2kmn s LYS 140 Ca 0.00 -0.60 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 2kmn s LYS 140 Cb 0.00 -3.36 -0.02 0.00 -2.06 0.00 0.00 37.83 32.40 2kmn s LYS 140 CO 0.00 -0.28 -0.11 -0.51 0.10 0.00 0.00 175.35 174.56 2kmn s LEU 141 N 1.58 2.13 0.34 2.77 1.02 -1.26 -2.15 118.68 123.12 2kmn s LEU 141 Ca 0.05 -0.37 0.05 0.00 0.02 0.00 0.00 54.13 53.89 2kmn s LEU 141 Cb -0.16 -0.44 0.63 0.00 0.02 0.00 0.00 46.19 46.24 2kmn s LEU 141 CO 0.03 0.01 1.88 -0.26 0.02 0.00 0.00 176.35 178.03 2kmn h PHE 142 N 5.20 0.52 -0.33 0.29 -1.00 -1.97 -1.84 116.94 117.80 2kmn h PHE 142 Ca -0.35 -0.05 0.10 0.00 2.81 0.00 0.00 57.97 60.48 2kmn h PHE 142 Cb 1.19 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 2kmn h PHE 142 CO 0.51 0.51 0.32 1.98 -1.61 0.00 0.00 178.31 180.02 2kmn h MET 143 N 0.48 0.00 -0.27 1.51 4.05 -1.96 -0.81 114.93 117.94 2kmn h MET 143 Ca 0.10 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.60 2kmn h MET 143 Cb 0.32 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2kmn h MET 143 CO 0.01 0.00 0.32 0.22 0.23 0.00 0.00 176.91 177.69 2kmn h ASP 144 N 0.00 0.00 -0.66 1.39 3.58 -1.75 -2.03 116.42 116.95 2kmn h ASP 144 Ca 0.16 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.18 2kmn h ASP 144 Cb 0.79 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.42 2kmn h ASP 144 CO -0.00 0.00 -0.94 0.00 -2.88 0.00 0.00 179.24 175.41 2kmn n TYR 145 N -3.65 2.15 -3.48 0.28 9.36 -0.31 -5.07 117.16 116.43 2kmn n TYR 145 Ca 0.04 -2.24 -0.34 0.00 3.32 0.00 0.00 57.90 58.69 2kmn n TYR 145 Cb 0.46 -0.29 -0.05 0.00 -0.63 0.00 0.00 39.34 38.83 2kmn n TYR 145 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kmn s LEU 146 N -3.67 4.29 0.00 2.98 1.02 -0.77 -5.12 118.68 117.42 2kmn s LEU 146 Ca 0.41 0.88 0.00 0.00 0.02 0.00 0.00 54.13 55.44 2kmn s LEU 146 Cb 0.38 -3.29 0.00 0.00 0.02 0.00 0.00 46.19 43.29 2kmn s LEU 146 CO 0.00 0.07 0.00 -0.24 0.02 0.00 0.00 176.35 176.20