#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 4.88 0.00 2.46 1.01 -1.26 -4.13 120.40 123.36 2kmn s VAL 2 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.71 2kmn s VAL 2 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2kmn s VAL 2 CO 0.00 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.35 2kmn n LEU 3 N 3.54 0.00 -4.36 3.92 -0.00 -1.26 -4.97 117.00 113.86 2kmn n LEU 3 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.59 2kmn n LEU 3 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 2kmn n LEU 3 CO 0.49 0.00 -0.04 -1.58 -0.00 0.00 0.00 177.39 176.26 2kmn s GLN 4 N 0.64 2.86 -0.13 1.47 0.74 -1.26 -5.06 119.66 118.93 2kmn s GLN 4 Ca 0.00 -1.30 -0.21 0.00 0.05 0.00 0.00 55.36 53.90 2kmn s GLN 4 Cb 0.00 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 30.10 2kmn s GLN 4 CO 0.00 -0.93 0.62 0.08 -0.55 0.00 0.00 175.29 174.51 2kmn s VAL 5 N 1.58 5.07 0.22 1.34 1.01 -1.26 -2.94 120.40 125.42 2kmn s VAL 5 Ca 0.04 1.23 -0.23 0.00 0.00 0.00 0.00 61.98 63.01 2kmn s VAL 5 Cb -0.23 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 2kmn s VAL 5 CO 0.06 0.22 0.79 -0.76 0.00 0.00 0.00 175.10 175.41 2kmn s LEU 6 N 1.16 4.44 0.04 3.92 1.43 0.16 -4.90 118.68 124.92 2kmn s LEU 6 Ca 0.31 1.59 0.06 0.00 -1.03 0.00 0.00 54.13 55.07 2kmn s LEU 6 Cb -0.16 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2kmn s LEU 6 CO 0.13 0.08 -0.13 -1.00 0.23 0.00 0.00 176.35 175.66 2kmn s HIS 7 N -1.39 2.69 0.53 0.29 3.76 -1.26 -4.21 115.29 115.69 2kmn s HIS 7 Ca 0.42 -0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 54.94 2kmn s HIS 7 Cb -0.20 -1.51 -0.06 0.00 1.11 0.00 0.00 32.58 31.92 2kmn s HIS 7 CO 0.24 0.31 1.09 -0.89 -0.85 0.00 0.00 174.74 174.64 2kmn n ILE 8 N 1.45 3.36 -1.73 0.60 -0.00 -1.18 -1.33 119.36 120.52 2kmn n ILE 8 Ca -0.16 -0.50 -0.33 0.00 -0.00 0.00 0.00 62.75 61.77 2kmn n ILE 8 Cb 0.52 -1.31 -0.02 0.00 -0.00 0.00 0.00 39.64 38.83 2kmn n ILE 8 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2kmn n PRO 9 N -0.67 3.00 -1.68 0.38 -0.04 -1.26 -5.02 135.00 129.71 2kmn n PRO 9 Ca 0.11 -2.91 -0.45 0.00 -0.04 0.00 0.00 63.50 60.22 2kmn n PRO 9 Cb 0.44 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.64 2.98 -0.33 3.54 8.00 -0.44 -4.88 116.55 126.05 2kmn n ASP 10 Ca 0.52 1.13 -0.01 0.00 0.71 0.00 0.00 54.79 57.14 2kmn n ASP 10 Cb 0.42 -1.45 0.12 0.00 -0.02 0.00 0.00 41.12 40.19 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 4.68 1.11 -0.09 -1.24 9.09 -1.96 -2.35 114.58 123.82 2kmn h GLU 11 Ca -0.45 -0.07 0.03 0.00 0.05 0.00 0.00 59.36 58.92 2kmn h GLU 11 Cb 1.26 -0.25 -0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2kmn h GLU 11 CO 0.79 0.74 0.11 0.00 0.05 0.00 0.00 179.01 180.70 2kmn h ARG 12 N 1.15 0.00 -0.01 1.06 3.08 -1.90 0.61 114.38 118.37 2kmn h ARG 12 Ca 0.36 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.21 2kmn h ARG 12 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2kmn h ARG 12 CO -0.11 0.00 -0.85 -0.07 -1.07 0.00 0.00 179.97 177.86 2kmn h LEU 13 N 0.00 0.29 -1.76 3.04 3.38 -1.61 -2.47 115.31 116.18 2kmn h LEU 13 Ca 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kmn h LEU 13 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kmn h LEU 13 CO -0.00 1.01 0.00 0.54 0.09 0.00 0.00 178.44 180.08 2kmn n ARG 14 N -3.69 2.12 -3.38 1.13 5.12 0.14 -3.72 116.66 114.37 2kmn n ARG 14 Ca -0.04 -1.72 -0.33 0.00 -1.93 0.00 0.00 57.85 53.83 2kmn n ARG 14 Cb 0.79 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 30.64 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 -1.42 3.85 -0.15 5.56 2.20 0.19 -4.33 119.74 125.65 2kmn s LYS 15 Ca 0.33 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 56.03 2kmn s LYS 15 Cb 0.18 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.79 2kmn s LYS 15 CO 0.24 0.34 0.87 0.08 -0.36 0.00 0.00 175.35 176.52 2kmn s VAL 16 N -1.76 4.86 0.39 4.02 1.01 -1.25 0.72 120.40 128.39 2kmn s VAL 16 Ca 0.46 1.73 -0.21 0.00 0.00 0.00 0.00 61.98 63.95 2kmn s VAL 16 Cb -0.12 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 2kmn s VAL 16 CO 0.20 0.03 0.92 0.00 0.00 0.00 0.00 175.10 176.25 2kmn s ALA 17 N 2.09 3.12 -0.15 5.51 0.00 -0.09 -4.83 121.76 127.41 2kmn s ALA 17 Ca 0.41 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 2kmn s ALA 17 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 2kmn s ALA 17 CO 0.14 0.17 -0.04 0.21 0.00 0.00 0.00 175.76 176.24 2kmn s LYS 18 N -2.86 3.61 -0.38 0.00 2.20 -1.25 -4.37 119.74 116.69 2kmn s LYS 18 Ca 0.58 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 2kmn s LYS 18 Cb -0.12 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 2kmn s LYS 18 CO 0.16 0.28 1.12 -1.25 -0.36 0.00 0.00 175.35 175.30 2kmn s PRO 19 N 0.26 3.92 0.44 4.03 0.04 -1.26 -1.30 135.00 141.13 2kmn s PRO 19 Ca -0.03 0.90 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 2kmn s PRO 19 Cb -0.14 -3.81 -0.08 0.00 0.04 0.00 0.00 34.50 30.51 2kmn s PRO 19 CO 0.03 -1.11 1.21 0.08 0.04 0.00 0.00 177.00 177.25 2kmn s VAL 20 N 4.03 2.95 0.51 -0.36 1.01 -1.26 -4.93 120.40 122.36 2kmn s VAL 20 Ca 0.47 0.77 0.23 0.00 0.00 0.00 0.00 61.98 63.45 2kmn s VAL 20 Cb -0.11 -3.42 0.29 0.00 0.00 0.00 0.00 36.38 33.15 2kmn s VAL 20 CO 0.22 0.04 2.15 -0.33 0.00 0.00 0.00 175.10 177.18 2kmn h GLU 21 N 2.32 0.00 -2.48 2.72 4.39 -2.03 -3.45 114.58 116.05 2kmn h GLU 21 Ca -0.49 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.14 2kmn h GLU 21 Cb 1.25 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.72 2kmn h GLU 21 CO 0.61 0.06 0.05 -2.00 -1.16 0.00 0.00 179.01 176.57 2kmn s GLU 22 N -4.68 0.98 -0.64 2.33 2.56 -1.26 -5.12 118.70 112.88 2kmn s GLU 22 Ca -0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.97 54.64 2kmn s GLU 22 Cb 0.15 0.45 0.03 0.00 2.00 0.00 0.00 34.13 36.77 2kmn s GLU 22 CO 0.62 -0.32 1.21 0.08 -0.56 0.00 0.00 175.26 176.29 2kmn s VAL 23 N -1.68 3.92 0.39 3.70 1.01 -1.26 -5.01 120.40 121.46 2kmn s VAL 23 Ca -0.09 0.67 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 2kmn s VAL 23 Cb -0.01 -4.80 -0.07 0.00 0.00 0.00 0.00 36.38 31.50 2kmn s VAL 23 CO 0.05 -1.54 0.77 0.20 0.00 0.00 0.00 175.10 174.58 2kmn s ASN 24 N 3.27 6.61 0.48 3.32 0.02 -1.26 -4.87 114.94 122.51 2kmn s ASN 24 Ca 0.39 1.20 0.21 0.00 -1.02 0.00 0.00 52.86 53.64 2kmn s ASN 24 Cb -0.08 -2.35 1.23 0.00 0.02 0.00 0.00 41.25 40.07 2kmn s ASN 24 CO 0.21 -0.35 1.97 0.00 0.02 0.00 0.00 177.10 178.94 2kmn h ALA 25 N 1.55 2.31 -0.22 0.60 0.00 -1.98 1.01 119.26 122.52 2kmn h ALA 25 Ca -0.47 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2kmn h ALA 25 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kmn h ALA 25 CO 0.64 -0.48 -0.57 0.93 0.00 0.00 0.00 179.25 179.77 2kmn h GLU 26 N 0.20 0.71 -0.56 0.00 5.08 -2.00 -2.19 114.58 115.82 2kmn h GLU 26 Ca 0.30 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2kmn h GLU 26 Cb 0.91 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2kmn h GLU 26 CO -0.05 1.09 -0.00 0.82 -1.00 0.00 0.00 179.01 179.86 2kmn h ILE 27 N 0.54 1.26 -0.54 3.13 2.04 0.31 -2.19 117.51 122.05 2kmn h ILE 27 Ca 0.00 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 2kmn h ILE 27 Cb 1.16 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2kmn h ILE 27 CO 0.12 0.40 -0.07 1.56 0.00 0.00 0.00 178.15 180.15 2kmn h GLN 28 N 0.89 1.00 -0.66 2.37 1.08 0.57 -2.50 115.11 117.86 2kmn h GLN 28 Ca 0.16 -0.36 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 2kmn h GLN 28 Cb 0.53 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 2kmn h GLN 28 CO 0.03 1.04 0.19 0.00 -0.95 0.00 0.00 178.83 179.13 2kmn h ARG 29 N 0.87 1.02 -0.12 1.46 3.08 -1.25 -1.49 114.38 117.95 2kmn h ARG 29 Ca 0.14 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2kmn h ARG 29 Cb 0.63 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2kmn h ARG 29 CO 0.04 0.88 -0.08 0.82 -1.07 0.00 0.00 179.97 180.56 2kmn h ILE 30 N 0.98 0.75 -0.53 2.04 2.04 -1.09 -1.60 117.51 120.11 2kmn h ILE 30 Ca 0.21 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.99 2kmn h ILE 30 Cb 0.30 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2kmn h ILE 30 CO -0.01 0.00 0.00 0.58 0.00 0.00 0.00 178.15 178.73 2kmn h VAL 31 N -0.09 1.26 -0.79 1.67 2.07 -1.25 -0.91 116.25 118.21 2kmn h VAL 31 Ca 0.08 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.57 2kmn h VAL 31 Cb 0.20 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2kmn h VAL 31 CO -0.18 0.39 0.47 0.44 0.02 0.00 0.00 177.57 178.71 2kmn h ASP 32 N 0.80 0.72 0.80 0.57 5.19 -0.96 -0.64 116.42 122.90 2kmn h ASP 32 Ca 0.15 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.41 2kmn h ASP 32 Cb 0.53 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2kmn h ASP 32 CO 0.03 0.45 -0.82 0.44 -3.12 0.00 0.00 179.24 176.22 2kmn h ASP 33 N 0.85 0.01 -0.31 6.45 5.19 -1.22 -2.59 116.42 124.79 2kmn h ASP 33 Ca 0.36 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2kmn h ASP 33 Cb 0.22 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2kmn h ASP 33 CO -0.19 0.83 0.20 0.24 -3.12 0.00 0.00 179.24 177.20 2kmn h MET 34 N 0.01 0.42 -0.25 3.56 2.86 0.32 0.74 114.93 122.58 2kmn h MET 34 Ca -0.01 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2kmn h MET 34 Cb 1.45 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 2kmn h MET 34 CO 0.11 0.29 -0.23 0.27 1.06 0.00 0.00 176.91 178.41 2kmn h PHE 35 N 0.42 0.72 -0.87 -0.22 -5.15 -1.43 0.11 116.94 110.51 2kmn h PHE 35 Ca 0.11 -0.21 0.14 0.00 -0.20 0.00 0.00 57.97 57.81 2kmn h PHE 35 Cb -0.03 -0.15 -0.09 0.00 0.22 0.00 0.00 35.95 35.89 2kmn h PHE 35 CO -0.05 0.92 0.48 0.93 -2.00 0.00 0.00 178.31 178.58 2kmn h GLU 36 N 0.32 0.69 0.44 6.09 4.39 -1.03 0.21 114.58 125.68 2kmn h GLU 36 Ca 0.04 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kmn h GLU 36 Cb 0.78 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2kmn h GLU 36 CO 0.06 0.45 -0.21 1.15 -1.16 0.00 0.00 179.01 179.30 2kmn h THR 37 N 0.71 0.00 -0.98 1.13 2.02 0.70 -1.93 112.91 114.55 2kmn h THR 37 Ca 0.46 -0.39 0.28 0.00 0.77 0.00 0.00 66.41 67.53 2kmn h THR 37 Cb 0.60 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.87 2kmn h THR 37 CO -0.33 0.00 0.54 -0.03 0.37 0.00 0.00 175.52 176.07 2kmn h MET 38 N -0.99 0.40 -0.32 6.66 1.85 -0.10 1.50 114.93 123.92 2kmn h MET 38 Ca -0.06 -0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 58.87 2kmn h MET 38 Cb 0.46 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.39 2kmn h MET 38 CO 0.10 0.26 -0.34 1.88 -0.40 0.00 0.00 176.91 178.41 2kmn h TYR 39 N 0.41 0.97 0.00 1.39 -1.99 -0.69 0.51 116.97 117.57 2kmn h TYR 39 Ca 0.68 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 2kmn h TYR 39 Cb 1.42 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.95 2kmn h TYR 39 CO -0.04 1.08 -0.03 0.00 -0.00 0.00 0.00 178.16 179.17 2kmn h ALA 40 N 0.72 1.26 0.00 3.88 0.00 0.26 1.10 119.26 126.48 2kmn h ALA 40 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kmn h ALA 40 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kmn h ALA 40 CO 0.08 0.04 -0.59 -1.91 0.00 0.00 0.00 179.25 176.87 2kmn n GLU 41 N -3.50 0.10 -2.22 0.00 4.07 0.22 -4.92 120.64 114.39 2kmn n GLU 41 Ca -0.02 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.92 2kmn n GLU 41 Cb 0.13 -1.55 -0.02 0.00 -0.06 0.00 0.00 31.44 29.94 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 -1.69 -1.35 -3.03 5.31 1.02 0.38 -4.98 120.64 116.30 2kmn n GLU 42 Ca 0.05 0.87 -0.38 0.00 -0.02 0.00 0.00 57.16 57.67 2kmn n GLU 42 Cb 0.37 -5.29 -0.06 0.00 -0.02 0.00 0.00 31.44 26.44 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 -2.30 2.79 0.00 0.62 0.00 0.16 -4.96 107.32 103.64 2kmn s GLY 43 Ca 0.00 0.28 0.24 0.00 0.00 0.00 0.00 44.72 45.24 2kmn s GLY 43 CO 0.00 0.72 1.92 1.39 0.00 0.00 0.00 173.10 177.13 2kmn n ILE 44 N 1.24 0.00 0.00 0.90 5.41 -1.26 -4.41 119.36 121.24 2kmn n ILE 44 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2kmn n ILE 44 Cb 0.50 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kmn n GLY 45 N 0.84 1.35 3.12 7.39 0.00 -1.26 0.22 105.19 116.85 2kmn n GLY 45 Ca 0.18 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 1.90 -0.14 0.99 0.20 -0.31 -4.85 118.68 116.48 2kmn s LEU 46 Ca 0.00 -0.34 -0.11 0.00 0.69 0.00 0.00 54.13 54.38 2kmn s LEU 46 Cb 0.00 -0.93 -0.05 0.00 -0.43 0.00 0.00 46.19 44.78 2kmn s LEU 46 CO 0.00 0.14 0.22 0.00 -0.29 0.00 0.00 176.35 176.42 2kmn s ALA 47 N 0.05 3.72 0.12 5.97 0.00 -1.26 -1.81 121.76 128.55 2kmn s ALA 47 Ca -0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 2kmn s ALA 47 Cb -0.11 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 20.92 2kmn s ALA 47 CO 0.02 0.33 0.85 0.00 0.00 0.00 0.00 175.76 176.96 2kmn n ALA 48 N 2.81 -0.11 -0.25 0.00 0.00 0.13 0.49 120.51 123.58 2kmn n ALA 48 Ca -0.16 0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.97 2kmn n ALA 48 Cb 0.53 -0.22 0.44 0.00 0.00 0.00 0.00 19.45 20.20 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 0.76 -0.70 0.00 1.35 -1.73 0.55 112.91 113.14 2kmn h THR 49 Ca 0.18 -0.19 -0.05 0.00 -0.55 0.00 0.00 66.41 65.79 2kmn h THR 49 Cb 0.31 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 66.85 2kmn h THR 49 CO -0.54 0.10 0.23 1.56 -0.25 0.00 0.00 175.52 176.62 2kmn h GLN 50 N 0.56 1.09 -0.70 4.72 4.20 -0.25 -2.10 115.11 122.63 2kmn h GLN 50 Ca 0.46 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2kmn h GLN 50 Cb 0.91 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2kmn h GLN 50 CO -0.20 0.93 0.00 1.33 -0.67 0.00 0.00 178.83 180.22 2kmn n VAL 51 N -4.31 0.65 -1.71 -0.54 0.24 0.05 0.38 118.33 113.09 2kmn n VAL 51 Ca 0.05 -0.37 -0.02 0.00 -2.04 0.00 0.00 64.34 61.96 2kmn n VAL 51 Cb 0.22 -0.28 -0.00 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.16 -2.12 -4.04 -1.34 2.03 -0.79 -4.11 116.55 106.35 2kmn n ASP 52 Ca 0.08 0.02 -0.32 0.00 0.52 0.00 0.00 54.79 55.09 2kmn n ASP 52 Cb 0.43 -0.97 -0.15 0.00 -0.72 0.00 0.00 41.12 39.71 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 -2.10 2.02 -1.27 5.18 -5.25 -0.41 -4.98 121.20 114.39 2kmn s ILE 53 Ca 0.00 -1.55 -0.08 0.00 -0.99 0.00 0.00 60.65 58.03 2kmn s ILE 53 Cb 0.00 -2.17 -0.08 0.00 2.95 0.00 0.00 42.46 43.16 2kmn s ILE 53 CO 0.00 -0.06 2.65 0.00 -1.79 0.00 0.00 174.94 175.74 2kmn n HIS 54 N 4.48 1.89 -3.73 1.37 1.44 -1.26 -2.62 115.22 116.79 2kmn n HIS 54 Ca -0.13 -2.57 -0.12 0.00 -2.01 0.00 0.00 57.72 52.89 2kmn n HIS 54 Cb 0.42 -2.12 -0.12 0.00 0.12 0.00 0.00 29.99 28.30 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 2.60 0.32 -0.23 -1.40 1.11 -1.26 -3.94 119.66 116.86 2kmn s GLN 55 Ca 0.57 0.56 -0.25 0.00 0.01 0.00 0.00 55.36 56.26 2kmn s GLN 55 Cb 0.15 0.03 -0.27 0.00 -1.01 0.00 0.00 33.01 31.91 2kmn s GLN 55 CO -0.05 -0.11 1.64 0.54 0.01 0.00 0.00 175.29 177.32 2kmn n ARG 56 N 3.71 0.46 -4.14 2.91 1.74 -0.42 -4.51 116.66 116.40 2kmn n ARG 56 Ca -0.20 -1.19 -0.34 0.00 -0.77 0.00 0.00 57.85 55.35 2kmn n ARG 56 Cb 0.56 -2.56 -0.14 0.00 -1.02 0.00 0.00 32.46 29.30 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 6.16 3.25 0.07 0.55 -1.09 -1.26 0.57 121.20 129.44 2kmn s ILE 57 Ca 0.58 -0.55 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 2kmn s ILE 57 Cb 0.13 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2kmn s ILE 57 CO 0.24 0.46 -0.19 0.27 -1.23 0.00 0.00 174.94 174.49 2kmn s ILE 58 N 1.14 1.55 -0.02 2.92 -5.25 -0.54 0.22 121.20 121.24 2kmn s ILE 58 Ca 0.01 -1.35 0.04 0.00 -0.99 0.00 0.00 60.65 58.36 2kmn s ILE 58 Cb -0.14 -1.40 -0.01 0.00 2.95 0.00 0.00 42.46 43.86 2kmn s ILE 58 CO -0.02 0.00 -0.14 0.68 -1.79 0.00 0.00 174.94 173.68 2kmn s VAL 59 N -1.03 1.12 0.15 8.37 -7.23 -0.75 -0.82 120.40 120.20 2kmn s VAL 59 Ca 0.05 -0.58 0.09 0.00 -1.81 0.00 0.00 61.98 59.73 2kmn s VAL 59 Cb -0.09 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 2kmn s VAL 59 CO 0.03 0.32 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.36 2kmn s ILE 60 N -0.18 2.95 -0.28 -0.62 -1.09 0.31 -1.16 121.20 121.13 2kmn s ILE 60 Ca 0.02 -1.60 0.21 0.00 -2.23 0.00 0.00 60.65 57.06 2kmn s ILE 60 Cb -0.07 -2.40 0.49 0.00 -1.58 0.00 0.00 42.46 38.90 2kmn s ILE 60 CO 0.00 0.01 1.06 -0.67 -1.23 0.00 0.00 174.94 174.10 2kmn n ASP 61 N 0.47 1.56 -1.88 3.58 -0.08 0.60 -0.71 116.55 120.09 2kmn n ASP 61 Ca -0.13 -2.26 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 2kmn n ASP 61 Cb 0.54 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.50 2kmn n ASP 61 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2kmn n VAL 62 N -0.42 0.00 -3.13 5.18 0.31 -1.15 -4.48 118.33 114.63 2kmn n VAL 62 Ca 0.08 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.96 2kmn n VAL 62 Cb 0.81 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.20 2kmn n VAL 62 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2kmn s SER 63 N -1.00 6.71 0.34 4.52 0.01 -1.26 -3.79 113.70 119.23 2kmn s SER 63 Ca 0.00 -2.40 0.02 0.00 1.31 0.00 0.00 55.95 54.88 2kmn s SER 63 Cb 0.00 -2.30 0.59 0.00 0.21 0.00 0.00 66.02 64.52 2kmn s SER 63 CO 0.00 -0.81 1.97 -0.08 0.41 0.00 0.00 173.24 174.73 2kmn h GLU 64 N 8.26 0.81 0.00 12.44 4.57 -1.95 -3.45 114.58 135.27 2kmn h GLU 64 Ca 0.14 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2kmn h GLU 64 Cb 1.03 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2kmn h GLU 64 CO 0.93 0.59 0.00 -1.71 -1.18 0.00 0.00 179.01 177.63 2kmn n ASN 65 N -4.40 -1.55 0.00 1.04 5.15 -1.26 -5.01 115.26 109.23 2kmn n ASN 65 Ca 0.06 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 2kmn n ASN 65 Cb 0.09 1.73 0.00 0.00 -0.53 0.00 0.00 39.78 41.07 2kmn n ASN 65 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kmn n ARG 66 N -2.80 0.59 -4.51 1.20 1.74 -1.26 -5.05 116.66 106.56 2kmn n ARG 66 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 2kmn n ARG 66 Cb 0.00 -0.73 -0.14 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.95 4.16 0.18 0.55 1.01 -1.26 -5.04 116.67 113.33 2kmn s ASP 67 Ca 0.00 -0.32 -0.30 0.00 0.71 0.00 0.00 52.55 52.64 2kmn s ASP 67 Cb 0.00 -1.66 -0.08 0.00 1.01 0.00 0.00 42.92 42.19 2kmn s ASP 67 CO 0.00 0.12 1.19 -1.61 0.21 0.00 0.00 175.17 175.08 2kmn s GLU 68 N 0.62 4.49 0.00 8.23 2.02 -1.25 -4.00 118.70 128.82 2kmn s GLU 68 Ca -0.06 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.80 2kmn s GLU 68 Cb -0.15 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2kmn s GLU 68 CO 0.03 -0.09 0.00 -2.13 0.02 0.00 0.00 175.26 173.09 2kmn n ARG 69 N 2.55 0.00 -4.46 1.61 0.63 -1.26 -4.94 116.66 110.79 2kmn n ARG 69 Ca 0.04 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.63 2kmn n ARG 69 Cb 0.45 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.25 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 3.36 -0.02 6.15 1.02 0.11 -5.00 118.68 124.30 2kmn s LEU 70 Ca 0.00 0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.18 2kmn s LEU 70 Cb 0.00 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.45 2kmn s LEU 70 CO 0.00 0.31 -0.05 0.54 0.02 0.00 0.00 176.35 177.18 2kmn s VAL 71 N -0.50 0.44 -0.01 -1.59 0.11 -1.26 0.11 120.40 117.70 2kmn s VAL 71 Ca 0.08 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2kmn s VAL 71 Cb -0.12 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2kmn s VAL 71 CO 0.02 0.15 0.12 -0.76 -3.33 0.00 0.00 175.10 171.30 2kmn s LEU 72 N 0.29 1.62 -0.04 2.54 2.01 0.00 -4.43 118.68 120.67 2kmn s LEU 72 Ca -0.03 -0.11 0.06 0.00 0.01 0.00 0.00 54.13 54.05 2kmn s LEU 72 Cb -0.07 0.55 -0.01 0.00 0.01 0.00 0.00 46.19 46.67 2kmn s LEU 72 CO -0.00 -0.28 -0.23 -0.63 1.01 0.00 0.00 176.35 176.23 2kmn s ILE 73 N -1.01 1.84 -1.48 -0.59 1.09 0.44 -1.46 121.20 120.03 2kmn s ILE 73 Ca -0.11 -0.96 -0.13 0.00 -1.10 0.00 0.00 60.65 58.35 2kmn s ILE 73 Cb -0.06 -1.55 0.10 0.00 -1.06 0.00 0.00 42.46 39.89 2kmn s ILE 73 CO 0.01 0.52 0.72 0.59 -0.10 0.00 0.00 174.94 176.68 2kmn n ASN 74 N 2.89 -4.08 -4.70 3.58 5.03 0.19 -1.84 115.26 116.33 2kmn n ASN 74 Ca -0.17 -0.66 -0.38 0.00 0.87 0.00 0.00 54.58 54.24 2kmn n ASN 74 Cb 0.52 -3.32 0.05 0.00 -1.02 0.00 0.00 39.78 36.01 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 1.39 -4.13 3.52 -0.02 -1.25 -4.74 135.00 125.57 2kmn n PRO 75 Ca 0.02 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 2kmn n PRO 75 Cb 0.53 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 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 -2.88 0.39 0.08 -0.52 -1.05 0.23 -4.95 118.70 110.00 2kmn s GLU 76 Ca 0.74 -0.20 -0.28 0.00 -0.15 0.00 0.00 54.97 55.08 2kmn s GLU 76 Cb -0.42 -0.36 -0.06 0.00 -0.44 0.00 0.00 34.13 32.85 2kmn s GLU 76 CO 0.48 0.10 0.88 -1.17 0.95 0.00 0.00 175.26 176.50 2kmn s LEU 77 N -0.18 4.48 -0.14 1.83 0.20 -1.26 -0.19 118.68 123.41 2kmn s LEU 77 Ca 0.01 1.65 -0.02 0.00 0.69 0.00 0.00 54.13 56.46 2kmn s LEU 77 Cb -0.02 -3.44 -0.08 0.00 -0.43 0.00 0.00 46.19 42.22 2kmn s LEU 77 CO -0.00 -0.04 -0.15 0.18 -0.29 0.00 0.00 176.35 176.06 2kmn n LEU 78 N 2.81 2.25 -3.81 -0.68 4.32 0.75 -4.93 117.00 117.72 2kmn n LEU 78 Ca 0.00 0.02 -0.12 0.00 -0.02 0.00 0.00 56.01 55.89 2kmn n LEU 78 Cb 0.50 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.75 2kmn n LEU 78 CO 0.49 0.57 -0.06 -0.70 -1.22 0.00 0.00 177.39 176.47 2kmn s GLU 79 N -2.27 0.59 -0.07 3.23 2.12 -0.81 -4.94 118.70 116.55 2kmn s GLU 79 Ca -0.19 -0.26 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 2kmn s GLU 79 Cb 0.06 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.72 2kmn s GLU 79 CO 0.29 -0.15 0.26 -1.59 -0.54 0.00 0.00 175.26 173.53 2kmn s LYS 80 N -1.32 0.43 -0.08 4.30 -2.85 -1.26 -1.11 119.74 117.85 2kmn s LYS 80 Ca -0.14 0.13 -0.23 0.00 -1.00 0.00 0.00 55.97 54.73 2kmn s LYS 80 Cb -0.06 0.20 0.05 0.00 -2.06 0.00 0.00 37.83 35.95 2kmn s LYS 80 CO 0.03 -0.08 0.53 -1.54 0.10 0.00 0.00 175.35 174.38 2kmn s SER 81 N -0.44 -0.49 0.00 0.03 1.04 0.31 -4.98 113.70 109.17 2kmn s SER 81 Ca -0.05 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2kmn s SER 81 Cb -0.04 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2kmn s SER 81 CO 0.01 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2kmn n GLY 82 N 1.54 -2.53 3.19 7.32 0.00 -1.26 0.11 105.19 113.56 2kmn n GLY 82 Ca -0.18 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 2kmn n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kmn s GLU 83 N -4.42 2.74 0.29 1.61 8.01 -1.26 -0.67 118.70 125.00 2kmn s GLU 83 Ca 0.00 -1.04 0.10 0.00 0.01 0.00 0.00 54.97 54.05 2kmn s GLU 83 Cb 0.00 -2.99 -0.05 0.00 -4.31 0.00 0.00 34.13 26.78 2kmn s GLU 83 CO 0.00 -0.44 -0.08 0.95 0.01 0.00 0.00 175.26 175.71 2kmn s THR 84 N 1.30 2.88 -0.18 3.63 -4.23 0.17 -4.87 115.64 114.34 2kmn s THR 84 Ca -0.01 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.32 2kmn s THR 84 Cb -0.17 -2.62 0.08 0.00 1.34 0.00 0.00 72.50 71.13 2kmn s THR 84 CO -0.04 -0.34 0.36 -0.83 -0.54 0.00 0.00 174.62 173.22 2kmn s GLY 85 N -3.62 -0.27 -0.09 3.99 0.00 -1.26 -0.10 107.32 105.97 2kmn s GLY 85 Ca 0.32 1.24 -0.07 0.00 0.00 0.00 0.00 44.72 46.20 2kmn s GLY 85 CO 0.18 2.26 0.24 -0.42 0.00 0.00 0.00 173.10 175.36 2kmn s ILE 86 N 2.54 -0.01 0.32 0.90 -1.09 -1.15 -4.89 121.20 117.81 2kmn s ILE 86 Ca 0.00 0.05 -0.28 0.00 -2.23 0.00 0.00 60.65 58.20 2kmn s ILE 86 Cb -0.12 -0.35 -0.09 0.00 -1.58 0.00 0.00 42.46 40.32 2kmn s ILE 86 CO -0.11 0.02 1.14 -1.61 -1.23 0.00 0.00 174.94 173.15 2kmn s GLU 87 N 0.53 4.45 0.18 2.79 2.02 -1.26 -2.13 118.70 125.27 2kmn s GLU 87 Ca -0.03 1.86 -0.16 0.00 0.02 0.00 0.00 54.97 56.66 2kmn s GLU 87 Cb -0.05 -3.02 0.02 0.00 0.10 0.00 0.00 34.13 31.18 2kmn s GLU 87 CO -0.03 0.02 0.45 -1.21 0.02 0.00 0.00 175.26 174.52 2kmn s GLU 88 N -1.75 1.28 0.39 1.61 2.02 -0.84 -4.86 118.70 116.55 2kmn s GLU 88 Ca 0.49 -0.90 0.08 0.00 0.02 0.00 0.00 54.97 54.65 2kmn s GLU 88 Cb -0.32 0.48 -0.08 0.00 0.10 0.00 0.00 34.13 34.32 2kmn s GLU 88 CO 0.41 -0.52 -0.02 0.20 0.02 0.00 0.00 175.26 175.35 2kmn s GLY 89 N -2.88 2.40 -0.05 -1.39 0.00 -1.26 -0.36 107.32 103.78 2kmn s GLY 89 Ca 0.10 -2.24 0.04 0.00 0.00 0.00 0.00 44.72 42.61 2kmn s GLY 89 CO -0.04 -2.07 -0.14 0.00 0.00 0.00 0.00 173.10 170.85 2kmn h LEU 91 N 5.34 0.00 0.00 0.00 7.12 -1.92 0.23 115.31 126.07 2kmn h LEU 91 Ca -0.47 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.23 2kmn h LEU 91 Cb 1.15 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.22 2kmn h LEU 91 CO 0.50 0.00 -2.20 -1.20 -0.13 0.00 0.00 178.44 175.42 2kmn n SER 92 N -2.38 0.98 -4.85 1.25 7.64 -1.26 -4.89 113.62 110.10 2kmn n SER 92 Ca -0.01 -0.02 -0.32 0.00 1.01 0.00 0.00 58.87 59.53 2kmn n SER 92 Cb 0.29 0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 64.16 2kmn n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kmn s ILE 93 N -2.42 4.67 0.00 0.44 1.01 0.80 -3.12 121.20 122.57 2kmn s ILE 93 Ca -0.12 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2kmn s ILE 93 Cb 0.06 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2kmn s ILE 93 CO 0.68 -0.28 0.00 -0.81 0.00 0.00 0.00 174.94 174.53 2kmn n PRO 94 N -0.61 2.31 0.00 2.79 -0.04 -1.26 -4.18 135.00 134.01 2kmn n PRO 94 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kmn n PRO 94 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2kmn n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kmn n GLU 95 N 0.00 0.92 -2.52 0.54 1.02 -1.26 -4.42 120.64 114.91 2kmn n GLU 95 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2kmn n GLU 95 Cb 0.00 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kmn s GLN 96 N -1.76 3.78 0.00 3.49 -0.21 -1.26 -4.96 119.66 118.74 2kmn s GLN 96 Ca 0.00 -1.78 -0.23 0.00 0.02 0.00 0.00 55.36 53.37 2kmn s GLN 96 Cb 0.00 -5.48 -0.05 0.00 1.00 0.00 0.00 33.01 28.48 2kmn s GLN 96 CO 0.00 -2.43 0.68 1.03 -2.12 0.00 0.00 175.29 172.46 2kmn s ARG 97 N 4.57 4.41 0.06 2.91 0.52 -1.25 -4.69 118.95 125.48 2kmn s ARG 97 Ca 0.54 0.89 0.07 0.00 -0.52 0.00 0.00 55.73 56.72 2kmn s ARG 97 Cb 0.03 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 2kmn s ARG 97 CO 0.06 0.27 -0.20 0.00 0.02 0.00 0.00 175.30 175.45 2kmn s ALA 98 N 0.07 1.73 -0.34 2.13 0.00 0.51 -4.64 121.76 121.23 2kmn s ALA 98 Ca 0.35 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2kmn s ALA 98 Cb -0.19 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kmn s ALA 98 CO 0.20 0.38 1.30 -1.17 0.00 0.00 0.00 175.76 176.47 2kmn s LEU 99 N -1.33 3.80 -0.20 0.00 0.20 -1.26 -1.99 118.68 117.90 2kmn s LEU 99 Ca 0.07 1.07 -0.09 0.00 0.69 0.00 0.00 54.13 55.87 2kmn s LEU 99 Cb -0.09 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.08 2kmn s LEU 99 CO 0.02 -1.16 0.10 -0.69 -0.29 0.00 0.00 176.35 174.34 2kmn s VAL 100 N 4.58 5.09 -0.11 1.68 1.01 -0.91 -4.75 120.40 126.99 2kmn s VAL 100 Ca 0.56 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 2kmn s VAL 100 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2kmn s VAL 100 CO 0.25 0.43 0.88 -2.16 0.00 0.00 0.00 175.10 174.50 2kmn s PRO 101 N 0.52 4.39 0.17 2.72 0.04 -1.25 -2.94 135.00 138.65 2kmn s PRO 101 Ca 0.06 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 2kmn s PRO 101 Cb -0.12 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 2kmn s PRO 101 CO 0.00 -0.22 0.20 -0.98 0.04 0.00 0.00 177.00 176.05 2kmn s ARG 102 N 1.72 1.13 0.68 4.56 3.03 0.85 -4.94 118.95 125.98 2kmn s ARG 102 Ca 0.43 -1.36 -0.15 0.00 2.03 0.00 0.00 55.73 56.68 2kmn s ARG 102 Cb -0.18 0.32 0.01 0.00 -1.03 0.00 0.00 34.95 34.08 2kmn s ARG 102 CO 0.17 -0.39 1.13 0.00 -1.13 0.00 0.00 175.30 175.08 2kmn s ALA 103 N -4.04 2.37 0.10 7.88 0.00 -1.25 0.41 121.76 127.24 2kmn s ALA 103 Ca 0.24 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 2kmn s ALA 103 Cb 0.05 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2kmn s ALA 103 CO 0.04 -1.45 1.34 1.49 0.00 0.00 0.00 175.76 177.18 2kmn h GLU 104 N -0.11 0.78 -3.70 0.00 4.57 0.30 -3.40 114.58 113.02 2kmn h GLU 104 Ca -0.47 -0.55 -0.22 0.00 -1.18 0.00 0.00 59.36 56.93 2kmn h GLU 104 Cb 1.26 0.09 -0.28 0.00 -0.16 0.00 0.00 28.75 29.66 2kmn h GLU 104 CO 0.53 1.17 -0.70 0.15 -1.18 0.00 0.00 179.01 178.98 2kmn s LYS 105 N -3.94 0.02 -0.12 1.92 1.02 -0.34 -1.31 119.74 116.98 2kmn s LYS 105 Ca -0.11 0.01 -0.13 0.00 0.02 0.00 0.00 55.97 55.75 2kmn s LYS 105 Cb 0.09 0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.44 2kmn s LYS 105 CO 0.88 -0.00 0.37 0.14 -0.92 0.00 0.00 175.35 175.82 2kmn s VAL 106 N -0.02 0.01 -0.19 3.17 -7.23 0.26 -0.53 120.40 115.86 2kmn s VAL 106 Ca -0.00 -0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 60.06 2kmn s VAL 106 Cb -0.00 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 2kmn s VAL 106 CO 0.00 -0.03 0.00 -0.54 -0.31 0.00 0.00 175.10 174.22 2kmn s LYS 107 N -0.01 3.67 0.06 4.82 -0.14 -0.26 0.59 119.74 128.48 2kmn s LYS 107 Ca -0.02 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 54.12 2kmn s LYS 107 Cb -0.03 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.03 2kmn s LYS 107 CO 0.01 0.10 -0.08 0.96 -0.76 0.00 0.00 175.35 175.58 2kmn s ILE 108 N 0.78 0.65 -0.09 2.17 -5.25 0.80 -0.18 121.20 120.08 2kmn s ILE 108 Ca 0.00 -1.35 -0.04 0.00 -0.99 0.00 0.00 60.65 58.27 2kmn s ILE 108 Cb -0.14 -0.96 -0.04 0.00 2.95 0.00 0.00 42.46 44.27 2kmn s ILE 108 CO 0.02 -0.51 0.08 -0.13 -1.79 0.00 0.00 174.94 172.61 2kmn s ARG 109 N -2.24 3.20 0.25 0.37 0.52 0.74 0.27 118.95 122.05 2kmn s ARG 109 Ca -0.03 -0.29 -0.22 0.00 -0.52 0.00 0.00 55.73 54.67 2kmn s ARG 109 Cb -0.06 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.46 2kmn s ARG 109 CO -0.01 0.73 0.76 0.00 0.02 0.00 0.00 175.30 176.80 2kmn s ALA 110 N -0.99 -1.31 0.11 2.13 0.00 0.94 0.74 121.76 123.38 2kmn s ALA 110 Ca 0.15 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.01 2kmn s ALA 110 Cb -0.12 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2kmn s ALA 110 CO 0.05 -1.03 -0.19 -0.48 0.00 0.00 0.00 175.76 174.11 2kmn s LEU 111 N -2.91 2.66 0.60 0.00 0.05 -0.77 0.18 118.68 118.49 2kmn s LEU 111 Ca 0.11 -0.57 -0.08 0.00 0.05 0.00 0.00 54.13 53.64 2kmn s LEU 111 Cb -0.05 -1.51 -0.00 0.00 -2.05 0.00 0.00 46.19 42.58 2kmn s LEU 111 CO 0.05 0.18 0.94 -0.62 -0.55 0.00 0.00 176.35 176.36 2kmn s ASP 112 N -2.10 5.70 0.48 1.48 2.15 -0.99 0.16 116.67 123.56 2kmn s ASP 112 Ca 0.17 0.90 0.22 0.00 0.43 0.00 0.00 52.55 54.27 2kmn s ASP 112 Cb -0.11 -1.90 1.19 0.00 -0.30 0.00 0.00 42.92 41.81 2kmn s ASP 112 CO 0.09 -1.05 1.63 -0.09 -0.17 0.00 0.00 175.17 175.59 2kmn h ARG 113 N -0.25 0.00 0.00 4.34 2.43 -1.92 0.51 114.38 119.49 2kmn h ARG 113 Ca -0.45 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.55 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 0.62 0.00 -0.80 -0.44 -1.51 0.00 0.00 179.97 177.84 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.96 -3.47 116.42 110.50 2kmn h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmn h ASP 114 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2kmn h ASP 114 CO 0.00 0.80 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 2kmn n GLY 115 N 1.19 1.42 2.83 2.75 0.00 0.18 -5.11 105.19 108.44 2kmn n GLY 115 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.26 1.03 -0.26 1.61 1.02 -1.25 -4.91 119.74 116.72 2kmn s LYS 116 Ca 0.00 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.58 2kmn s LYS 116 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2kmn s LYS 116 CO 0.00 -0.86 1.50 -2.14 -0.92 0.00 0.00 175.35 172.94 2kmn s PRO 117 N 1.47 3.81 0.32 -1.68 0.02 -1.26 -2.35 135.00 135.32 2kmn s PRO 117 Ca 0.05 1.47 0.05 0.00 0.02 0.00 0.00 61.00 62.59 2kmn s PRO 117 Cb -0.18 -3.99 -0.06 0.00 0.02 0.00 0.00 34.50 30.29 2kmn s PRO 117 CO -0.16 -1.27 0.03 -0.59 -0.33 0.00 0.00 177.00 174.67 2kmn s PHE 118 N 4.99 1.98 -0.17 6.54 -0.12 0.47 -4.88 117.98 126.79 2kmn s PHE 118 Ca 0.66 -0.88 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2kmn s PHE 118 Cb -0.21 -1.26 -0.03 0.00 -0.63 0.00 0.00 43.02 40.88 2kmn s PHE 118 CO 0.27 0.10 0.00 -1.21 -0.05 0.00 0.00 175.22 174.33 2kmn s GLU 119 N -3.84 3.78 -0.07 1.99 2.02 -1.26 -0.04 118.70 121.28 2kmn s GLU 119 Ca 0.34 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.92 2kmn s GLU 119 Cb 0.08 -3.03 -0.00 0.00 0.10 0.00 0.00 34.13 31.27 2kmn s GLU 119 CO 0.14 0.25 -0.20 -0.48 0.02 0.00 0.00 175.26 174.99 2kmn s LEU 120 N 0.39 1.95 -0.22 1.80 0.05 0.14 -4.96 118.68 117.83 2kmn s LEU 120 Ca -0.01 -0.44 -0.18 0.00 0.05 0.00 0.00 54.13 53.55 2kmn s LEU 120 Cb -0.14 -1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 42.81 2kmn s LEU 120 CO 0.02 0.15 0.49 -1.83 -0.55 0.00 0.00 176.35 174.63 2kmn s GLU 121 N 0.21 4.15 -0.09 1.48 1.03 -1.26 -0.14 118.70 124.09 2kmn s GLU 121 Ca -0.11 0.33 0.03 0.00 0.03 0.00 0.00 54.97 55.26 2kmn s GLU 121 Cb -0.15 -3.58 -0.01 0.00 -0.80 0.00 0.00 34.13 29.59 2kmn s GLU 121 CO 0.05 -0.17 -0.19 0.00 -1.33 0.00 0.00 175.26 173.61 2kmn s ALA 122 N 1.72 2.40 0.20 -0.84 0.00 0.20 -4.95 121.76 120.50 2kmn s ALA 122 Ca 0.22 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2kmn s ALA 122 Cb -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 2kmn s ALA 122 CO 0.09 0.37 -0.12 -0.51 0.00 0.00 0.00 175.76 175.59 2kmn s ASP 123 N -0.02 2.38 0.89 0.00 1.01 -1.26 0.90 116.67 120.57 2kmn s ASP 123 Ca -0.06 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.16 2kmn s ASP 123 Cb -0.15 -0.10 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2kmn s ASP 123 CO 0.05 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2kmn n GLY 124 N -0.36 2.71 0.39 0.21 0.00 -0.43 -1.59 105.19 106.11 2kmn n GLY 124 Ca -0.08 -0.29 0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 0.21 0.08 0.99 4.07 -1.98 0.33 115.31 119.02 2kmn h LEU 125 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2kmn h LEU 125 Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2kmn h LEU 125 CO 0.00 0.11 -0.04 0.25 -1.08 0.00 0.00 178.44 177.68 2kmn h LEU 126 N 0.22 -0.10 -0.29 1.67 6.46 -1.66 -2.15 115.31 119.47 2kmn h LEU 126 Ca 0.33 -0.44 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 2kmn h LEU 126 Cb 0.97 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 2kmn h LEU 126 CO -0.07 0.42 0.16 0.00 -0.62 0.00 0.00 178.44 178.33 2kmn h ALA 127 N 0.17 0.38 0.45 1.25 0.00 -0.74 -1.64 119.26 119.13 2kmn h ALA 127 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2kmn h ALA 127 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kmn h ALA 127 CO 0.02 -0.09 -0.22 0.82 0.00 0.00 0.00 179.25 179.78 2kmn h ILE 128 N 0.35 0.51 -0.25 0.00 1.08 -0.46 -2.12 117.51 116.62 2kmn h ILE 128 Ca 0.10 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 2kmn h ILE 128 Cb 0.07 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 2kmn h ILE 128 CO -0.02 0.06 0.11 0.00 -0.69 0.00 0.00 178.15 177.61 2kmn h ILE 130 N 0.24 1.17 -0.60 0.00 2.10 -1.35 -1.58 117.51 117.50 2kmn h ILE 130 Ca 0.11 -0.37 -0.07 0.00 1.08 0.00 0.00 64.86 65.60 2kmn h ILE 130 Cb 0.05 -0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 35.75 2kmn h ILE 130 CO -0.08 0.20 0.09 1.56 -1.08 0.00 0.00 178.15 178.83 2kmn h GLN 131 N 1.08 0.97 -0.49 2.19 4.20 -1.06 -2.41 115.11 119.60 2kmn h GLN 131 Ca 0.32 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2kmn h GLN 131 Cb -0.06 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2kmn h GLN 131 CO -0.09 0.90 0.29 1.25 -0.67 0.00 0.00 178.83 180.51 2kmn h HIS 132 N 0.91 0.53 -0.66 2.96 2.76 -0.38 -2.14 115.15 119.14 2kmn h HIS 132 Ca 0.18 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2kmn h HIS 132 Cb 0.41 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 2kmn h HIS 132 CO 0.03 0.30 0.40 0.93 -1.30 0.00 0.00 177.93 178.29 2kmn h GLU 133 N 0.57 0.89 -0.24 5.26 4.39 -1.05 0.16 114.58 124.56 2kmn h GLU 133 Ca 0.20 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.85 2kmn h GLU 133 Cb 0.03 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 2kmn h GLU 133 CO -0.09 0.62 0.07 0.52 -1.16 0.00 0.00 179.01 178.97 2kmn h MET 134 N 0.89 0.17 -0.25 2.33 2.86 -0.96 0.29 114.93 120.26 2kmn h MET 134 Ca 0.24 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2kmn h MET 134 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2kmn h MET 134 CO -0.05 0.11 0.04 0.38 1.06 0.00 0.00 176.91 178.46 2kmn h ASP 135 N 0.18 0.40 0.11 1.22 3.04 -1.12 -2.24 116.42 118.02 2kmn h ASP 135 Ca 0.11 -0.26 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 2kmn h ASP 135 Cb 0.08 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.26 2kmn h ASP 135 CO -0.12 0.55 -0.09 -0.74 -2.04 0.00 0.00 179.24 176.80 2kmn h HIS 136 N 0.23 -0.24 -0.14 4.15 2.76 -0.31 -0.54 115.15 121.05 2kmn h HIS 136 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2kmn h HIS 136 Cb 0.33 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2kmn h HIS 136 CO 0.02 -0.15 0.09 1.37 -1.30 0.00 0.00 177.93 177.96 2kmn h LEU 137 N -0.22 0.16 -1.89 0.26 8.10 -0.42 0.67 115.31 121.98 2kmn h LEU 137 Ca -0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.94 2kmn h LEU 137 Cb 0.20 -0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 40.36 2kmn h LEU 137 CO -0.02 0.13 0.05 0.55 -4.11 0.00 0.00 178.44 175.04 2kmn n VAL 138 N -4.51 0.92 -0.83 0.15 3.14 -0.85 -0.91 118.33 115.44 2kmn n VAL 138 Ca -0.01 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 2kmn n VAL 138 Cb 0.08 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 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 0.18 0.00 3.81 7.55 0.00 0.22 -3.97 105.19 112.99 2kmn n GLY 139 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.64 4.00 -0.01 1.61 -2.85 -0.25 -3.95 119.74 116.65 2kmn s LYS 140 Ca 0.00 0.35 -0.02 0.00 -1.00 0.00 0.00 55.97 55.30 2kmn s LYS 140 Cb 0.00 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 2kmn s LYS 140 CO 0.00 0.56 0.04 -0.51 0.10 0.00 0.00 175.35 175.54 2kmn s LEU 141 N -0.62 1.85 0.46 2.77 2.01 -1.26 -2.56 118.68 121.32 2kmn s LEU 141 Ca 0.23 0.02 0.14 0.00 0.01 0.00 0.00 54.13 54.53 2kmn s LEU 141 Cb -0.16 0.18 1.05 0.00 0.01 0.00 0.00 46.19 47.27 2kmn s LEU 141 CO 0.11 -0.06 2.02 -0.26 1.01 0.00 0.00 176.35 179.17 2kmn h PHE 142 N 5.84 0.02 -0.32 0.29 -1.00 -1.97 -1.85 116.94 117.94 2kmn h PHE 142 Ca -0.25 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.62 2kmn h PHE 142 Cb 1.21 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 2kmn h PHE 142 CO 0.44 0.15 0.24 1.98 -1.61 0.00 0.00 178.31 179.52 2kmn h MET 143 N 0.01 0.00 0.00 1.51 4.05 -1.96 0.34 114.93 118.88 2kmn h MET 143 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kmn h MET 143 Cb 0.25 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2kmn h MET 143 CO 0.02 0.00 -0.01 0.22 0.23 0.00 0.00 176.91 177.37 2kmn h ASP 144 N 0.00 0.00 -0.12 1.39 1.82 -1.76 -1.84 116.42 115.91 2kmn h ASP 144 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 2kmn h ASP 144 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2kmn h ASP 144 CO -0.00 0.01 0.00 0.00 -1.61 0.00 0.00 179.24 177.64 2kmn n TYR 145 N -3.44 0.23 -3.36 0.28 9.36 0.11 -5.03 117.16 115.32 2kmn n TYR 145 Ca -0.03 -0.66 -0.36 0.00 3.32 0.00 0.00 57.90 60.17 2kmn n TYR 145 Cb 0.09 -0.10 -0.06 0.00 -0.63 0.00 0.00 39.34 38.64 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 -1.66 4.41 0.00 2.98 1.43 -0.69 -5.12 118.68 120.02 2kmn s LEU 146 Ca 0.18 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2kmn s LEU 146 Cb 0.14 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2kmn s LEU 146 CO 0.06 0.18 0.00 -1.54 0.23 0.00 0.00 176.35 175.27