#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 4.47 0.00 0.44 -7.23 -1.26 -4.37 120.40 112.45 2kmn s VAL 2 Ca 0.00 1.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.88 2kmn s VAL 2 Cb 0.00 -4.15 0.00 0.00 0.56 0.00 0.00 36.38 32.79 2kmn s VAL 2 CO 0.00 0.47 0.00 0.00 -0.31 0.00 0.00 175.10 175.26 2kmn n LEU 3 N 2.00 0.00 -4.50 1.32 -0.00 -1.26 -4.95 117.00 109.61 2kmn n LEU 3 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.54 2kmn n LEU 3 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 2kmn n LEU 3 CO 0.47 -0.02 0.65 -1.58 -0.00 0.00 0.00 177.39 176.90 2kmn s GLN 4 N 0.00 3.28 -0.13 1.47 2.00 -1.26 -5.02 119.66 119.99 2kmn s GLN 4 Ca 0.00 -0.43 -0.22 0.00 -2.00 0.00 0.00 55.36 52.71 2kmn s GLN 4 Cb 0.00 -4.07 -0.03 0.00 0.80 0.00 0.00 33.01 29.71 2kmn s GLN 4 CO 0.00 -1.43 0.64 0.08 -0.50 0.00 0.00 175.29 174.09 2kmn s VAL 5 N 3.62 5.05 0.17 1.34 1.01 -1.26 -3.00 120.40 127.33 2kmn s VAL 5 Ca 0.26 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.35 2kmn s VAL 5 Cb -0.14 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2kmn s VAL 5 CO 0.17 0.19 0.63 -0.76 0.00 0.00 0.00 175.10 175.34 2kmn s LEU 6 N 1.30 4.36 0.07 3.92 1.43 0.84 -4.94 118.68 125.65 2kmn s LEU 6 Ca 0.32 1.25 0.09 0.00 -1.03 0.00 0.00 54.13 54.77 2kmn s LEU 6 Cb -0.16 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2kmn s LEU 6 CO 0.13 0.09 -0.26 -1.00 0.23 0.00 0.00 176.35 175.54 2kmn s HIS 7 N -1.46 2.23 0.23 0.29 3.76 -1.26 -4.06 115.29 115.02 2kmn s HIS 7 Ca 0.39 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 2kmn s HIS 7 Cb -0.16 -1.30 -0.09 0.00 1.11 0.00 0.00 32.58 32.14 2kmn s HIS 7 CO 0.20 0.17 1.30 0.42 -0.85 0.00 0.00 174.74 175.98 2kmn s ILE 8 N -0.88 3.12 0.30 0.60 -1.09 -0.79 -3.38 121.20 119.07 2kmn s ILE 8 Ca 0.11 0.97 -0.28 0.00 -2.23 0.00 0.00 60.65 59.22 2kmn s ILE 8 Cb -0.10 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 2kmn s ILE 8 CO 0.03 0.17 1.03 -2.16 -1.23 0.00 0.00 174.94 172.78 2kmn s PRO 9 N -0.51 4.59 -0.29 2.79 0.04 -1.26 -4.80 135.00 135.55 2kmn s PRO 9 Ca 0.55 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2kmn s PRO 9 Cb -0.37 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.26 2kmn s PRO 9 CO 0.41 0.22 0.78 0.34 0.04 0.00 0.00 177.00 178.79 2kmn s ASP 10 N -1.18 -0.87 0.17 6.66 -1.08 -1.22 -5.05 116.67 114.11 2kmn s ASP 10 Ca 0.47 1.29 -0.14 0.00 -0.52 0.00 0.00 52.55 53.65 2kmn s ASP 10 Cb -0.27 1.69 0.10 0.00 -1.46 0.00 0.00 42.92 42.98 2kmn s ASP 10 CO 0.34 -0.19 1.78 1.05 0.52 0.00 0.00 175.17 178.67 2kmn h GLU 11 N 7.22 0.44 -0.39 4.34 4.11 -1.94 -1.90 114.58 126.47 2kmn h GLU 11 Ca -0.23 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.28 2kmn h GLU 11 Cb 1.16 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2kmn h GLU 11 CO 0.13 0.29 0.28 0.00 0.07 0.00 0.00 179.01 179.78 2kmn h ARG 12 N 0.45 0.01 -0.00 1.06 2.47 -1.93 1.20 114.38 117.64 2kmn h ARG 12 Ca 0.20 -0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.72 2kmn h ARG 12 Cb 0.11 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2kmn h ARG 12 CO -0.14 0.01 -0.87 -0.07 0.56 0.00 0.00 179.97 179.46 2kmn h LEU 13 N 0.01 0.30 -2.51 3.04 3.38 -1.54 -2.63 115.31 115.36 2kmn h LEU 13 Ca 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kmn h LEU 13 Cb 0.72 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kmn h LEU 13 CO -0.00 1.03 0.00 0.54 0.09 0.00 0.00 178.44 180.10 2kmn n ARG 14 N -3.69 2.99 -3.46 1.13 5.12 0.16 -3.72 116.66 115.20 2kmn n ARG 14 Ca -0.04 -2.31 -0.32 0.00 -1.93 0.00 0.00 57.85 53.25 2kmn n ARG 14 Cb 0.80 -1.69 -0.05 0.00 -1.16 0.00 0.00 32.46 30.36 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 -1.60 3.77 -0.19 5.56 2.20 0.39 -4.28 119.74 125.59 2kmn s LYS 15 Ca 0.42 0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.98 2kmn s LYS 15 Cb 0.25 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.88 2kmn s LYS 15 CO 0.23 0.35 0.90 0.08 -0.36 0.00 0.00 175.35 176.54 2kmn s VAL 16 N -1.78 4.81 0.35 4.02 1.01 -1.26 0.09 120.40 127.63 2kmn s VAL 16 Ca 0.46 1.76 -0.25 0.00 0.00 0.00 0.00 61.98 63.95 2kmn s VAL 16 Cb -0.11 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 2kmn s VAL 16 CO 0.22 -0.05 0.94 0.00 0.00 0.00 0.00 175.10 176.21 2kmn s ALA 17 N 2.55 3.17 -0.16 5.51 0.00 0.04 -4.82 121.76 128.06 2kmn s ALA 17 Ca 0.40 0.50 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 2kmn s ALA 17 Cb -0.16 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2kmn s ALA 17 CO 0.10 0.17 0.10 0.21 0.00 0.00 0.00 175.76 176.34 2kmn s LYS 18 N -2.29 3.76 -0.31 0.00 2.20 -1.25 -4.37 119.74 117.48 2kmn s LYS 18 Ca 0.53 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 2kmn s LYS 18 Cb -0.17 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2kmn s LYS 18 CO 0.21 0.49 1.22 -1.25 -0.36 0.00 0.00 175.35 175.66 2kmn s PRO 19 N -0.21 3.97 0.43 4.03 0.04 -1.26 -1.55 135.00 140.46 2kmn s PRO 19 Ca 0.09 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.07 2kmn s PRO 19 Cb -0.12 -3.83 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2kmn s PRO 19 CO 0.01 -1.04 1.20 0.08 0.04 0.00 0.00 177.00 177.29 2kmn s VAL 20 N 4.09 3.00 0.36 -0.36 1.01 -1.26 -4.94 120.40 122.31 2kmn s VAL 20 Ca 0.52 0.80 0.14 0.00 0.00 0.00 0.00 61.98 63.45 2kmn s VAL 20 Cb -0.15 -3.43 0.12 0.00 0.00 0.00 0.00 36.38 32.91 2kmn s VAL 20 CO 0.20 0.04 1.85 -0.33 0.00 0.00 0.00 175.10 176.86 2kmn h GLU 21 N 2.33 0.00 -2.70 2.72 4.39 -2.03 -3.46 114.58 115.82 2kmn h GLU 21 Ca -0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 2kmn h GLU 21 Cb 1.25 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.73 2kmn h GLU 21 CO 0.61 0.34 0.05 -2.00 -1.16 0.00 0.00 179.01 176.85 2kmn s GLU 22 N -4.16 1.03 -0.68 2.33 2.56 -1.26 -5.11 118.70 113.41 2kmn s GLU 22 Ca -0.03 -0.18 -0.27 0.00 0.00 0.00 0.00 54.97 54.48 2kmn s GLU 22 Cb 0.14 0.47 0.03 0.00 2.00 0.00 0.00 34.13 36.77 2kmn s GLU 22 CO 0.71 -0.37 1.24 0.08 -0.56 0.00 0.00 175.26 176.37 2kmn s VAL 23 N -2.30 3.84 0.28 3.70 1.01 -1.26 -5.01 120.40 120.67 2kmn s VAL 23 Ca -0.06 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2kmn s VAL 23 Cb -0.01 -4.84 -0.07 0.00 0.00 0.00 0.00 36.38 31.45 2kmn s VAL 23 CO -0.00 -1.66 0.63 0.20 0.00 0.00 0.00 175.10 174.27 2kmn s ASN 24 N 3.44 6.63 0.55 3.32 0.01 -1.26 -4.90 114.94 122.73 2kmn s ASN 24 Ca 0.38 1.02 0.26 0.00 -0.71 0.00 0.00 52.86 53.81 2kmn s ASN 24 Cb -0.08 -2.27 1.47 0.00 0.41 0.00 0.00 41.25 40.78 2kmn s ASN 24 CO 0.19 -0.17 2.03 0.00 -1.51 0.00 0.00 177.10 177.64 2kmn h ALA 25 N 2.20 2.21 -0.08 0.60 0.00 -1.98 1.00 119.26 123.20 2kmn h ALA 25 Ca -0.47 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 2kmn h ALA 25 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kmn h ALA 25 CO 0.67 -0.50 -0.80 1.05 0.00 0.00 0.00 179.25 179.67 2kmn h GLU 26 N 0.00 0.54 -0.47 0.00 4.11 -2.00 -2.19 114.58 114.57 2kmn h GLU 26 Ca 0.18 -0.47 -0.12 0.00 0.07 0.00 0.00 59.36 59.02 2kmn h GLU 26 Cb 0.79 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2kmn h GLU 26 CO -0.00 1.10 -0.16 0.82 0.07 0.00 0.00 179.01 180.84 2kmn h ILE 27 N 0.36 1.27 -0.62 -1.06 5.03 0.33 -2.15 117.51 120.66 2kmn h ILE 27 Ca -0.05 -1.30 -0.09 0.00 -0.12 0.00 0.00 64.86 63.30 2kmn h ILE 27 Cb 1.41 1.08 -0.02 0.00 -3.03 0.00 0.00 36.82 36.25 2kmn h ILE 27 CO 0.15 0.45 0.04 1.56 -0.68 0.00 0.00 178.15 179.67 2kmn h GLN 28 N 0.80 1.07 -0.59 2.37 4.20 0.26 -2.51 115.11 120.72 2kmn h GLN 28 Ca 0.12 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 2kmn h GLN 28 Cb 0.71 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2kmn h GLN 28 CO 0.05 1.02 0.08 0.00 -0.67 0.00 0.00 178.83 179.31 2kmn h ARG 29 N 0.98 0.96 -0.19 1.46 2.47 -1.27 -0.99 114.38 117.79 2kmn h ARG 29 Ca 0.18 -0.25 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2kmn h ARG 29 Cb 0.51 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 2kmn h ARG 29 CO 0.02 0.90 -0.08 0.82 0.56 0.00 0.00 179.97 182.19 2kmn h ILE 30 N 0.90 0.73 -0.55 2.04 2.04 -1.01 -1.07 117.51 120.59 2kmn h ILE 30 Ca 0.18 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.93 2kmn h ILE 30 Cb 0.42 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2kmn h ILE 30 CO 0.01 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.67 2kmn h VAL 31 N -0.05 1.27 -0.61 1.67 2.07 -1.29 -0.97 116.25 118.34 2kmn h VAL 31 Ca 0.10 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.51 2kmn h VAL 31 Cb 0.20 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2kmn h VAL 31 CO -0.23 0.43 0.19 0.44 0.02 0.00 0.00 177.57 178.43 2kmn h ASP 32 N 0.90 0.14 0.81 0.57 5.19 -0.58 0.18 116.42 123.64 2kmn h ASP 32 Ca 0.15 0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.50 2kmn h ASP 32 Cb 0.63 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2kmn h ASP 32 CO 0.04 0.09 -0.70 0.44 -3.12 0.00 0.00 179.24 175.99 2kmn h ASP 33 N 0.35 0.00 -0.36 6.45 5.19 -1.15 -2.62 116.42 124.28 2kmn h ASP 33 Ca 0.31 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.73 2kmn h ASP 33 Cb 0.42 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2kmn h ASP 33 CO -0.34 0.70 0.22 0.24 -3.12 0.00 0.00 179.24 176.94 2kmn h MET 34 N 0.00 0.44 -0.21 3.56 2.86 0.72 0.58 114.93 122.87 2kmn h MET 34 Ca -0.01 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.30 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kmn h MET 34 CO 0.09 0.29 -0.25 0.27 1.06 0.00 0.00 176.91 178.37 2kmn h PHE 35 N 0.45 0.66 -0.74 -0.22 -5.15 -1.24 0.11 116.94 110.80 2kmn h PHE 35 Ca 0.14 -0.21 0.14 0.00 -0.20 0.00 0.00 57.97 57.84 2kmn h PHE 35 Cb -0.02 -0.13 -0.09 0.00 0.22 0.00 0.00 35.95 35.92 2kmn h PHE 35 CO -0.07 0.91 0.29 0.93 -2.00 0.00 0.00 178.31 178.37 2kmn h GLU 36 N 0.22 0.43 0.42 6.09 5.08 -1.05 0.22 114.58 125.99 2kmn h GLU 36 Ca 0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kmn h GLU 36 Cb 0.81 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2kmn h GLU 36 CO 0.06 0.28 -0.20 1.15 -1.00 0.00 0.00 179.01 179.30 2kmn h THR 37 N 0.44 0.00 -0.96 1.13 2.02 0.25 -2.13 112.91 113.66 2kmn h THR 37 Ca 0.41 -0.45 0.28 0.00 0.77 0.00 0.00 66.41 67.41 2kmn h THR 37 Cb 0.61 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.87 2kmn h THR 37 CO -0.40 0.00 0.46 -0.03 0.37 0.00 0.00 175.52 175.93 2kmn h MET 38 N -1.02 0.32 -0.28 6.66 -1.53 -0.13 1.51 114.93 120.47 2kmn h MET 38 Ca -0.06 -0.02 -0.14 0.00 -3.44 0.00 0.00 59.70 56.05 2kmn h MET 38 Cb 0.43 -0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.41 2kmn h MET 38 CO 0.09 0.21 -0.36 1.88 0.14 0.00 0.00 176.91 178.88 2kmn h TYR 39 N 0.33 0.89 0.00 1.39 -1.99 -0.69 0.65 116.97 117.55 2kmn h TYR 39 Ca 0.66 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 61.09 2kmn h TYR 39 Cb 1.41 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.96 2kmn h TYR 39 CO -0.09 1.06 -0.03 0.00 -0.00 0.00 0.00 178.16 179.10 2kmn h ALA 40 N 0.68 1.40 0.00 3.88 0.00 0.24 1.10 119.26 126.56 2kmn h ALA 40 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kmn h ALA 40 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kmn h ALA 40 CO 0.08 0.03 -0.51 -1.91 0.00 0.00 0.00 179.25 176.95 2kmn n GLU 41 N -3.70 0.09 -2.01 0.00 4.07 0.27 -4.91 120.64 114.45 2kmn n GLU 41 Ca -0.03 0.03 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2kmn n GLU 41 Cb 0.12 -1.56 -0.03 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 -1.69 -1.22 -2.84 5.31 1.02 0.38 -4.98 120.64 116.62 2kmn n GLU 42 Ca 0.05 0.87 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 2kmn n GLU 42 Cb 0.37 -5.19 -0.06 0.00 -0.02 0.00 0.00 31.44 26.54 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 -2.47 2.94 0.00 0.62 0.00 0.21 -4.95 107.32 103.67 2kmn s GLY 43 Ca 0.00 0.49 0.30 0.00 0.00 0.00 0.00 44.72 45.51 2kmn s GLY 43 CO 0.00 0.99 2.15 1.39 0.00 0.00 0.00 173.10 177.63 2kmn n ILE 44 N 1.19 0.00 0.00 0.90 5.41 -1.26 -4.39 119.36 121.21 2kmn n ILE 44 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2kmn n ILE 44 Cb 0.49 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 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 0.97 1.33 3.13 7.39 0.00 -1.26 0.17 105.19 116.92 2kmn n GLY 45 Ca 0.22 0.18 -0.27 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 1.90 -0.17 0.99 2.96 0.51 -4.94 118.68 119.94 2kmn s LEU 46 Ca 0.00 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 2kmn s LEU 46 Cb 0.00 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2kmn s LEU 46 CO 0.00 0.14 0.18 0.00 -1.32 0.00 0.00 176.35 175.35 2kmn s ALA 47 N 0.13 3.71 0.11 5.97 0.00 -1.26 -1.10 121.76 129.31 2kmn s ALA 47 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 2kmn s ALA 47 Cb -0.13 -2.19 0.11 0.00 0.00 0.00 0.00 23.12 20.91 2kmn s ALA 47 CO 0.03 0.25 0.76 0.00 0.00 0.00 0.00 175.76 176.80 2kmn n ALA 48 N 3.17 -0.08 -0.25 0.00 0.00 0.18 0.96 120.51 124.48 2kmn n ALA 48 Ca -0.16 0.49 0.13 0.00 0.00 0.00 0.00 53.44 53.90 2kmn n ALA 48 Cb 0.53 -0.21 0.40 0.00 0.00 0.00 0.00 19.45 20.17 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 0.82 -0.68 0.00 1.35 -1.72 0.11 112.91 112.79 2kmn h THR 49 Ca 0.16 -0.22 -0.06 0.00 -0.55 0.00 0.00 66.41 65.74 2kmn h THR 49 Cb 0.29 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.81 2kmn h THR 49 CO -0.49 0.12 0.17 1.56 -0.25 0.00 0.00 175.52 176.63 2kmn h GLN 50 N 0.64 1.08 -0.71 4.72 4.20 0.31 -2.13 115.11 123.22 2kmn h GLN 50 Ca 0.44 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kmn h GLN 50 Cb 0.76 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2kmn h GLN 50 CO -0.19 0.96 0.00 1.33 -0.67 0.00 0.00 178.83 180.26 2kmn n VAL 51 N -4.28 0.51 -1.74 -0.54 0.24 0.21 -0.11 118.33 112.61 2kmn n VAL 51 Ca 0.05 -0.28 -0.03 0.00 -2.04 0.00 0.00 64.34 62.04 2kmn n VAL 51 Cb 0.25 -0.30 -0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.10 -2.15 -3.98 -1.34 -0.08 -0.80 -4.24 116.55 104.06 2kmn n ASP 52 Ca 0.06 0.02 -0.31 0.00 -1.51 0.00 0.00 54.79 53.05 2kmn n ASP 52 Cb 0.37 -1.05 -0.15 0.00 2.34 0.00 0.00 41.12 42.63 2kmn n ASP 52 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kmn s ILE 53 N -2.12 1.70 -1.34 5.18 -5.25 -0.14 -4.98 121.20 114.25 2kmn s ILE 53 Ca 0.00 -1.29 -0.09 0.00 -0.99 0.00 0.00 60.65 58.29 2kmn s ILE 53 Cb 0.00 -1.90 -0.07 0.00 2.95 0.00 0.00 42.46 43.44 2kmn s ILE 53 CO 0.00 -0.04 2.60 0.00 -1.79 0.00 0.00 174.94 175.70 2kmn n HIS 54 N 4.62 2.04 -3.73 1.37 1.44 -1.26 -2.56 115.22 117.14 2kmn n HIS 54 Ca -0.13 -2.64 -0.12 0.00 -2.01 0.00 0.00 57.72 52.82 2kmn n HIS 54 Cb 0.44 -2.17 -0.11 0.00 0.12 0.00 0.00 29.99 28.27 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 2.73 0.36 -0.31 -1.40 -1.52 -1.26 -3.93 119.66 114.33 2kmn s GLN 55 Ca 0.57 0.61 -0.24 0.00 -1.95 0.00 0.00 55.36 54.35 2kmn s GLN 55 Cb 0.15 0.05 -0.26 0.00 -0.22 0.00 0.00 33.01 32.73 2kmn s GLN 55 CO -0.05 -0.11 1.68 0.54 -0.25 0.00 0.00 175.29 177.10 2kmn n ARG 56 N 3.68 0.61 -4.01 2.91 1.74 -0.59 -4.50 116.66 116.50 2kmn n ARG 56 Ca -0.19 -1.26 -0.35 0.00 -0.77 0.00 0.00 57.85 55.27 2kmn n ARG 56 Cb 0.56 -2.59 -0.13 0.00 -1.02 0.00 0.00 32.46 29.27 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 5.97 3.62 -0.01 0.55 -1.09 -1.26 0.76 121.20 129.73 2kmn s ILE 57 Ca 0.58 -0.42 0.07 0.00 -2.23 0.00 0.00 60.65 58.65 2kmn s ILE 57 Cb 0.13 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 2kmn s ILE 57 CO 0.22 0.42 -0.24 0.27 -1.23 0.00 0.00 174.94 174.39 2kmn s ILE 58 N 1.26 1.87 -0.05 2.92 -5.25 0.07 0.47 121.20 122.48 2kmn s ILE 58 Ca 0.03 -1.05 0.04 0.00 -0.99 0.00 0.00 60.65 58.69 2kmn s ILE 58 Cb -0.14 -1.56 -0.00 0.00 2.95 0.00 0.00 42.46 43.71 2kmn s ILE 58 CO -0.00 0.49 -0.18 0.54 -1.79 0.00 0.00 174.94 173.99 2kmn s VAL 59 N -0.59 1.52 0.19 8.37 0.11 -0.26 -0.25 120.40 129.49 2kmn s VAL 59 Ca 0.09 -0.76 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2kmn s VAL 59 Cb -0.09 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 2kmn s VAL 59 CO -0.00 0.44 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.48 2kmn s ILE 60 N 0.09 3.21 0.00 7.04 -1.09 0.29 -0.36 121.20 130.38 2kmn s ILE 60 Ca -0.06 -1.71 0.19 0.00 -2.23 0.00 0.00 60.65 56.85 2kmn s ILE 60 Cb -0.13 -2.61 0.32 0.00 -1.58 0.00 0.00 42.46 38.47 2kmn s ILE 60 CO 0.03 -0.15 1.12 -0.67 -1.23 0.00 0.00 174.94 174.04 2kmn n ASP 61 N -0.10 0.64 -4.47 3.58 2.03 0.46 -1.39 116.55 117.30 2kmn n ASP 61 Ca -0.10 -1.98 -0.43 0.00 0.52 0.00 0.00 54.79 52.79 2kmn n ASP 61 Cb 0.56 -0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.00 4.91 -0.39 5.18 1.01 -1.02 -4.67 120.40 125.42 2kmn s VAL 62 Ca 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2kmn s VAL 62 Cb 0.29 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2kmn s VAL 62 CO -0.13 -0.67 1.30 -1.54 0.00 0.00 0.00 175.10 174.06 2kmn n SER 63 N 6.06 -1.50 0.26 3.32 3.41 -1.26 -4.71 113.62 119.21 2kmn n SER 63 Ca -0.06 -0.87 0.18 0.00 -0.26 0.00 0.00 58.87 57.87 2kmn n SER 63 Cb 0.46 -0.48 0.90 0.00 -0.26 0.00 0.00 64.21 64.83 2kmn n SER 63 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kmn h GLU 64 N 8.45 0.00 0.00 4.33 4.81 -1.92 -3.44 114.58 126.81 2kmn h GLU 64 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kmn h GLU 64 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2kmn h GLU 64 CO 1.10 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.67 2kmn n ASN 65 N -2.78 0.00 0.01 1.04 2.85 -1.26 -5.05 115.26 110.07 2kmn n ASN 65 Ca -0.02 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.45 2kmn n ASN 65 Cb 0.11 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.13 2kmn n ASN 65 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kmn n ARG 66 N -0.38 0.02 -3.65 1.20 5.12 -1.26 -5.02 116.66 112.69 2kmn n ARG 66 Ca 0.00 0.01 -0.36 0.00 -1.93 0.00 0.00 57.85 55.57 2kmn n ARG 66 Cb 0.00 -0.54 -0.09 0.00 -1.16 0.00 0.00 32.46 30.68 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kmn s ASP 67 N -5.30 6.17 0.02 0.55 1.11 -1.26 -5.02 116.67 112.94 2kmn s ASP 67 Ca -0.01 0.18 -0.25 0.00 0.18 0.00 0.00 52.55 52.65 2kmn s ASP 67 Cb 0.00 -2.11 -0.05 0.00 1.07 0.00 0.00 42.92 41.83 2kmn s ASP 67 CO 0.02 0.08 0.77 -1.61 1.18 0.00 0.00 175.17 175.61 2kmn s GLU 68 N 0.90 4.49 0.00 8.23 2.02 -1.26 -4.57 118.70 128.51 2kmn s GLU 68 Ca 0.09 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.14 2kmn s GLU 68 Cb -0.13 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.71 2kmn s GLU 68 CO 0.03 0.20 0.00 -2.13 0.02 0.00 0.00 175.26 173.38 2kmn n ARG 69 N 3.13 0.00 -4.07 1.61 0.63 -1.26 -5.04 116.66 111.66 2kmn n ARG 69 Ca -0.01 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.57 2kmn n ARG 69 Cb 0.50 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.33 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 3.88 -0.02 6.15 1.43 -0.49 -5.00 118.68 124.63 2kmn s LEU 70 Ca 0.00 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2kmn s LEU 70 Cb 0.00 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2kmn s LEU 70 CO 0.00 0.27 -0.06 0.54 0.23 0.00 0.00 176.35 177.34 2kmn s VAL 71 N -0.22 0.51 -0.01 -1.59 0.11 -1.26 0.11 120.40 118.04 2kmn s VAL 71 Ca 0.08 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2kmn s VAL 71 Cb -0.12 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2kmn s VAL 71 CO 0.01 0.17 0.05 -0.76 -3.33 0.00 0.00 175.10 171.25 2kmn s LEU 72 N 0.27 1.82 -0.06 2.54 2.01 0.65 -4.22 118.68 121.71 2kmn s LEU 72 Ca -0.03 0.01 0.06 0.00 0.01 0.00 0.00 54.13 54.17 2kmn s LEU 72 Cb -0.07 0.22 -0.01 0.00 0.01 0.00 0.00 46.19 46.34 2kmn s LEU 72 CO -0.00 -0.08 -0.23 -0.63 1.01 0.00 0.00 176.35 176.42 2kmn s ILE 73 N -0.28 1.88 -1.40 -0.59 1.09 0.48 -0.75 121.20 121.62 2kmn s ILE 73 Ca -0.03 -0.96 -0.06 0.00 -1.10 0.00 0.00 60.65 58.49 2kmn s ILE 73 Cb -0.02 -1.59 0.04 0.00 -1.06 0.00 0.00 42.46 39.82 2kmn s ILE 73 CO 0.00 0.53 0.50 0.59 -0.10 0.00 0.00 174.94 176.45 2kmn n ASN 74 N 3.03 -4.86 -4.67 3.58 5.03 0.23 -1.72 115.26 115.88 2kmn n ASN 74 Ca -0.18 -0.29 -0.39 0.00 0.87 0.00 0.00 54.58 54.59 2kmn n ASN 74 Cb 0.52 -3.98 0.04 0.00 -1.02 0.00 0.00 39.78 35.35 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 -3.79 1.33 -4.02 3.52 -0.02 -1.25 -4.72 135.00 126.06 2kmn n PRO 75 Ca -0.07 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 2kmn n PRO 75 Cb 0.59 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.62 0.33 0.20 -0.52 -1.05 0.22 -4.94 118.70 110.32 2kmn s GLU 76 Ca 0.71 -0.42 -0.30 0.00 -0.15 0.00 0.00 54.97 54.81 2kmn s GLU 76 Cb -0.45 -0.14 -0.08 0.00 -0.44 0.00 0.00 34.13 33.02 2kmn s GLU 76 CO 0.50 0.03 0.97 -1.17 0.95 0.00 0.00 175.26 176.54 2kmn s LEU 77 N -0.87 4.59 -0.10 1.83 2.96 -1.26 -0.74 118.68 125.09 2kmn s LEU 77 Ca -0.07 1.95 -0.01 0.00 -0.22 0.00 0.00 54.13 55.78 2kmn s LEU 77 Cb -0.06 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 2kmn s LEU 77 CO -0.00 0.04 -0.10 0.18 -1.32 0.00 0.00 176.35 175.15 2kmn n LEU 78 N 1.89 2.18 -3.60 -0.68 7.99 0.51 -4.90 117.00 120.38 2kmn n LEU 78 Ca -0.00 0.01 -0.16 0.00 -0.01 0.00 0.00 56.01 55.85 2kmn n LEU 78 Cb 0.47 -0.32 -0.07 0.00 -0.11 0.00 0.00 43.42 43.40 2kmn n LEU 78 CO 0.51 0.50 0.32 -0.70 -1.51 0.00 0.00 177.39 176.51 2kmn s GLU 79 N -2.19 0.90 -0.01 3.23 2.12 -0.82 -4.94 118.70 117.00 2kmn s GLU 79 Ca -0.13 0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.45 2kmn s GLU 79 Cb 0.04 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2kmn s GLU 79 CO 0.20 -0.25 0.09 -1.59 -0.54 0.00 0.00 175.26 173.18 2kmn s LYS 80 N -0.89 0.31 -0.04 4.30 -2.85 -1.26 -0.30 119.74 119.01 2kmn s LYS 80 Ca -0.09 -0.22 -0.26 0.00 -1.00 0.00 0.00 55.97 54.39 2kmn s LYS 80 Cb -0.02 0.13 0.06 0.00 -2.06 0.00 0.00 37.83 35.93 2kmn s LYS 80 CO 0.07 -0.06 0.58 0.45 0.10 0.00 0.00 175.35 176.48 2kmn s SER 81 N -0.83 -0.53 0.06 0.03 0.15 0.91 -4.97 113.70 108.52 2kmn s SER 81 Ca -0.09 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2kmn s SER 81 Cb -0.05 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2kmn s SER 81 CO 0.00 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2kmn n GLY 82 N 1.04 -2.78 2.83 9.45 0.00 -1.26 0.11 105.19 114.58 2kmn n GLY 82 Ca -0.20 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.52 1.09 0.28 1.61 -6.30 -1.26 -0.55 118.70 110.05 2kmn s GLU 83 Ca 0.00 -0.48 0.07 0.00 -2.50 0.00 0.00 54.97 52.07 2kmn s GLU 83 Cb 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 34.13 32.09 2kmn s GLU 83 CO 0.00 -0.51 0.23 0.95 0.02 0.00 0.00 175.26 175.95 2kmn s THR 84 N 1.72 4.10 -0.17 -1.70 -4.23 0.14 -4.86 115.64 110.64 2kmn s THR 84 Ca -0.00 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 2kmn s THR 84 Cb -0.16 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.45 2kmn s THR 84 CO -0.07 -0.28 0.33 -0.83 -0.54 0.00 0.00 174.62 173.22 2kmn s GLY 85 N -3.90 -0.23 -0.11 3.99 0.00 -1.26 -1.43 107.32 104.37 2kmn s GLY 85 Ca 0.36 1.09 -0.11 0.00 0.00 0.00 0.00 44.72 46.06 2kmn s GLY 85 CO 0.26 2.23 0.32 -0.42 0.00 0.00 0.00 173.10 175.48 2kmn s ILE 86 N 2.50 0.00 0.28 0.90 1.01 -1.20 -4.90 121.20 119.79 2kmn s ILE 86 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2kmn s ILE 86 Cb -0.13 -0.45 -0.10 0.00 0.01 0.00 0.00 42.46 41.79 2kmn s ILE 86 CO -0.11 -0.01 1.20 -1.61 0.00 0.00 0.00 174.94 174.40 2kmn s GLU 87 N 0.10 4.51 0.18 2.79 2.02 -1.26 -2.03 118.70 125.01 2kmn s GLU 87 Ca -0.01 1.98 -0.20 0.00 0.02 0.00 0.00 54.97 56.76 2kmn s GLU 87 Cb -0.02 -3.15 0.05 0.00 0.10 0.00 0.00 34.13 31.10 2kmn s GLU 87 CO 0.01 0.01 0.55 -1.21 0.02 0.00 0.00 175.26 174.64 2kmn s GLU 88 N -1.38 1.32 0.31 1.61 2.02 -0.74 -4.84 118.70 117.00 2kmn s GLU 88 Ca 0.48 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 54.88 2kmn s GLU 88 Cb -0.35 0.55 -0.06 0.00 0.10 0.00 0.00 34.13 34.37 2kmn s GLU 88 CO 0.45 -0.57 -0.13 0.20 0.02 0.00 0.00 175.26 175.23 2kmn s GLY 89 N -2.81 2.01 -0.04 -1.39 0.00 -1.26 -0.17 107.32 103.65 2kmn s GLY 89 Ca 0.05 -1.98 0.05 0.00 0.00 0.00 0.00 44.72 42.84 2kmn s GLY 89 CO -0.08 -1.98 -0.18 0.00 0.00 0.00 0.00 173.10 170.86 2kmn h LEU 91 N 5.48 0.00 0.14 0.00 -0.00 -1.92 0.71 115.31 119.71 2kmn h LEU 91 Ca -0.44 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.12 2kmn h LEU 91 Cb 1.15 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2kmn h LEU 91 CO 0.49 0.00 -1.64 0.28 -0.00 0.00 0.00 178.44 177.58 2kmn h SER 92 N 0.00 0.47 -3.69 -0.43 0.02 -1.92 -3.45 113.55 104.56 2kmn h SER 92 Ca 0.04 -0.90 -0.50 0.00 -0.84 0.00 0.00 61.79 59.59 2kmn h SER 92 Cb 1.34 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2kmn h SER 92 CO -0.00 1.72 0.09 -0.63 -1.14 0.00 0.00 176.83 176.88 2kmn s ILE 93 N -2.53 4.76 0.00 3.27 -1.09 0.25 -1.89 121.20 123.96 2kmn s ILE 93 Ca -0.19 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 2kmn s ILE 93 Cb 0.05 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2kmn s ILE 93 CO 0.80 -0.37 0.00 -0.81 -1.23 0.00 0.00 174.94 173.32 2kmn n PRO 94 N -0.90 2.64 -0.03 2.79 -0.04 -1.26 -4.25 135.00 133.95 2kmn n PRO 94 Ca 0.03 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.49 2kmn n PRO 94 Cb 0.54 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.02 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 1.15 -2.49 0.54 4.71 -1.26 -4.50 120.64 118.79 2kmn n GLU 95 Ca 0.00 -0.20 -0.40 0.00 -0.01 0.00 0.00 57.16 56.56 2kmn n GLU 95 Cb 0.00 -1.11 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2kmn s GLN 96 N -1.82 3.62 0.01 3.49 -0.21 -1.26 -4.95 119.66 118.54 2kmn s GLN 96 Ca 0.04 -1.53 -0.24 0.00 0.02 0.00 0.00 55.36 53.64 2kmn s GLN 96 Cb 0.02 -5.42 -0.05 0.00 1.00 0.00 0.00 33.01 28.56 2kmn s GLN 96 CO 0.02 -2.50 0.73 1.03 -2.12 0.00 0.00 175.29 172.46 2kmn s ARG 97 N 4.87 4.46 0.07 2.91 0.52 -1.25 -4.66 118.95 125.86 2kmn s ARG 97 Ca 0.54 0.99 0.08 0.00 -0.52 0.00 0.00 55.73 56.81 2kmn s ARG 97 Cb 0.02 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2kmn s ARG 97 CO 0.02 0.22 -0.20 0.00 0.02 0.00 0.00 175.30 175.36 2kmn s ALA 98 N 0.19 1.75 -0.37 2.13 0.00 0.76 -4.56 121.76 121.66 2kmn s ALA 98 Ca 0.38 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2kmn s ALA 98 Cb -0.19 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2kmn s ALA 98 CO 0.21 0.37 1.37 -1.17 0.00 0.00 0.00 175.76 176.54 2kmn s LEU 99 N -1.52 3.70 -0.15 0.00 0.20 -1.26 -1.79 118.68 117.86 2kmn s LEU 99 Ca 0.07 0.97 -0.11 0.00 0.69 0.00 0.00 54.13 55.75 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 0.03 -1.30 0.22 0.54 -0.29 0.00 0.00 176.35 175.55 2kmn s VAL 100 N 5.03 5.36 -0.15 1.68 0.11 -0.86 -4.73 120.40 126.84 2kmn s VAL 100 Ca 0.59 0.39 -0.22 0.00 -2.93 0.00 0.00 61.98 59.82 2kmn s VAL 100 Cb -0.15 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 2kmn s VAL 100 CO 0.29 0.47 0.65 -2.16 -3.33 0.00 0.00 175.10 171.03 2kmn s PRO 101 N -0.02 4.29 0.17 1.54 0.04 -1.26 -3.25 135.00 136.51 2kmn s PRO 101 Ca 0.14 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.83 2kmn s PRO 101 Cb -0.12 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 2kmn s PRO 101 CO 0.03 -0.14 0.21 -0.98 0.04 0.00 0.00 177.00 176.16 2kmn s ARG 102 N 1.54 1.15 0.67 4.56 3.03 -0.52 -4.97 118.95 124.41 2kmn s ARG 102 Ca 0.32 -1.35 -0.15 0.00 2.03 0.00 0.00 55.73 56.58 2kmn s ARG 102 Cb -0.16 0.33 0.01 0.00 -1.03 0.00 0.00 34.95 34.09 2kmn s ARG 102 CO 0.12 -0.40 1.13 0.00 -1.13 0.00 0.00 175.30 175.03 2kmn s ALA 103 N -4.03 2.41 0.10 7.88 0.00 -1.25 0.26 121.76 127.12 2kmn s ALA 103 Ca 0.24 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 2kmn s ALA 103 Cb 0.05 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 2kmn s ALA 103 CO 0.04 -1.37 1.31 1.49 0.00 0.00 0.00 175.76 177.23 2kmn h GLU 104 N 0.01 0.77 -3.76 0.00 4.81 0.33 -3.42 114.58 113.33 2kmn h GLU 104 Ca -0.47 -0.61 -0.23 0.00 -0.13 0.00 0.00 59.36 57.92 2kmn h GLU 104 Cb 1.26 0.12 -0.28 0.00 0.63 0.00 0.00 28.75 30.48 2kmn h GLU 104 CO 0.53 1.22 -0.72 0.15 -0.73 0.00 0.00 179.01 179.46 2kmn s LYS 105 N -3.81 0.03 -0.12 1.92 1.02 0.05 -1.19 119.74 117.64 2kmn s LYS 105 Ca -0.11 -0.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.74 2kmn s LYS 105 Cb 0.08 -0.01 0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2kmn s LYS 105 CO 0.89 0.00 0.32 0.14 -0.92 0.00 0.00 175.35 175.79 2kmn s VAL 106 N -0.05 0.00 -0.19 3.17 -7.23 0.26 -0.06 120.40 116.29 2kmn s VAL 106 Ca -0.00 -0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 2kmn s VAL 106 Cb -0.00 -0.46 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 2kmn s VAL 106 CO -0.00 -0.00 0.01 -0.54 -0.31 0.00 0.00 175.10 174.25 2kmn s LYS 107 N 0.15 3.69 0.05 4.82 -0.14 0.59 0.60 119.74 129.50 2kmn s LYS 107 Ca -0.00 -0.49 0.02 0.00 -1.36 0.00 0.00 55.97 54.15 2kmn s LYS 107 Cb -0.02 -3.08 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 2kmn s LYS 107 CO 0.01 0.09 -0.08 0.96 -0.76 0.00 0.00 175.35 175.57 2kmn s ILE 108 N 0.79 0.62 -0.13 2.17 -5.25 0.95 -0.36 121.20 119.99 2kmn s ILE 108 Ca 0.01 -1.19 -0.06 0.00 -0.99 0.00 0.00 60.65 58.41 2kmn s ILE 108 Cb -0.14 -0.77 -0.04 0.00 2.95 0.00 0.00 42.46 44.46 2kmn s ILE 108 CO 0.02 -0.42 0.09 -0.13 -1.79 0.00 0.00 174.94 172.72 2kmn s ARG 109 N -1.83 3.47 0.26 0.37 0.52 0.08 0.05 118.95 121.86 2kmn s ARG 109 Ca -0.07 -0.24 -0.22 0.00 -0.52 0.00 0.00 55.73 54.68 2kmn s ARG 109 Cb -0.08 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.30 2kmn s ARG 109 CO 0.00 0.64 0.73 0.00 0.02 0.00 0.00 175.30 176.69 2kmn s ALA 110 N -0.65 -1.30 0.14 2.13 0.00 0.89 0.73 121.76 123.70 2kmn s ALA 110 Ca 0.12 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.98 2kmn s ALA 110 Cb -0.12 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2kmn s ALA 110 CO 0.02 -1.01 -0.17 -0.48 0.00 0.00 0.00 175.76 174.12 2kmn s LEU 111 N -2.90 2.72 0.65 0.00 0.05 -0.70 0.17 118.68 118.67 2kmn s LEU 111 Ca 0.10 -0.61 -0.08 0.00 0.05 0.00 0.00 54.13 53.59 2kmn s LEU 111 Cb -0.05 -1.52 0.02 0.00 -2.05 0.00 0.00 46.19 42.59 2kmn s LEU 111 CO 0.05 0.15 0.99 -0.62 -0.55 0.00 0.00 176.35 176.37 2kmn s ASP 112 N -2.38 5.42 0.65 1.48 2.15 -0.95 0.18 116.67 123.22 2kmn s ASP 112 Ca 0.20 0.84 0.28 0.00 0.43 0.00 0.00 52.55 54.30 2kmn s ASP 112 Cb -0.10 -1.71 1.49 0.00 -0.30 0.00 0.00 42.92 42.30 2kmn s ASP 112 CO 0.11 -1.25 1.85 -0.09 -0.17 0.00 0.00 175.17 175.62 2kmn h ARG 113 N -0.43 0.00 0.00 4.34 2.43 -1.93 0.52 114.38 119.31 2kmn h ARG 113 Ca -0.45 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2kmn h ARG 113 Cb 1.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 2kmn h ARG 113 CO 0.62 0.00 -0.57 -0.44 -1.51 0.00 0.00 179.97 178.07 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.95 -3.46 116.42 110.53 2kmn h ASP 114 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2kmn h ASP 114 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2kmn h ASP 114 CO -0.00 0.57 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 2kmn n GLY 115 N 1.16 1.34 2.83 2.75 0.00 0.18 -5.08 105.19 108.38 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 -0.24 1.04 -0.25 1.61 -0.14 -1.25 -4.90 119.74 115.61 2kmn s LYS 116 Ca 0.00 -1.18 -0.29 0.00 -1.36 0.00 0.00 55.97 53.14 2kmn s LYS 116 Cb 0.00 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 2kmn s LYS 116 CO 0.00 -0.88 1.50 -2.14 -0.76 0.00 0.00 175.35 173.07 2kmn s PRO 117 N 1.44 3.84 0.30 -1.68 0.02 -1.26 -2.25 135.00 135.41 2kmn s PRO 117 Ca 0.06 1.51 0.04 0.00 0.02 0.00 0.00 61.00 62.64 2kmn s PRO 117 Cb -0.18 -3.98 -0.06 0.00 0.02 0.00 0.00 34.50 30.30 2kmn s PRO 117 CO -0.17 -1.23 0.02 -0.59 -0.33 0.00 0.00 177.00 174.71 2kmn s PHE 118 N 4.89 1.90 -0.16 6.54 -0.12 0.45 -4.87 117.98 126.60 2kmn s PHE 118 Ca 0.66 -0.89 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 2kmn s PHE 118 Cb -0.22 -1.18 -0.03 0.00 -0.63 0.00 0.00 43.02 40.95 2kmn s PHE 118 CO 0.27 0.06 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.29 2kmn s GLU 119 N -3.85 3.75 -0.05 1.99 8.01 -1.26 -0.08 118.70 127.21 2kmn s GLU 119 Ca 0.34 -0.46 0.04 0.00 0.01 0.00 0.00 54.97 54.89 2kmn s GLU 119 Cb 0.07 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.89 2kmn s GLU 119 CO 0.14 0.27 -0.16 -0.48 0.01 0.00 0.00 175.26 175.03 2kmn s LEU 120 N 0.32 1.87 -0.21 1.80 0.05 0.11 -4.97 118.68 117.64 2kmn s LEU 120 Ca -0.01 -0.35 -0.17 0.00 0.05 0.00 0.00 54.13 53.64 2kmn s LEU 120 Cb -0.14 -0.96 -0.03 0.00 -2.05 0.00 0.00 46.19 43.01 2kmn s LEU 120 CO 0.02 0.12 0.46 -1.83 -0.55 0.00 0.00 176.35 174.58 2kmn s GLU 121 N 0.20 4.16 -0.08 1.48 -1.05 -1.26 -0.03 118.70 122.12 2kmn s GLU 121 Ca -0.07 0.30 0.04 0.00 -0.15 0.00 0.00 54.97 55.08 2kmn s GLU 121 Cb -0.13 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 29.98 2kmn s GLU 121 CO 0.03 -0.14 -0.19 0.00 0.95 0.00 0.00 175.26 175.91 2kmn s ALA 122 N 1.62 2.42 0.23 -0.84 0.00 0.20 -4.94 121.76 120.46 2kmn s ALA 122 Ca 0.21 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.25 2kmn s ALA 122 Cb -0.15 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2kmn s ALA 122 CO 0.09 0.41 -0.09 -0.51 0.00 0.00 0.00 175.76 175.65 2kmn s ASP 123 N -0.16 2.52 0.81 0.00 1.11 -1.26 0.89 116.67 120.57 2kmn s ASP 123 Ca -0.02 -1.11 0.00 0.00 0.18 0.00 0.00 52.55 51.60 2kmn s ASP 123 Cb -0.14 -0.12 0.00 0.00 1.07 0.00 0.00 42.92 43.73 2kmn s ASP 123 CO 0.04 -0.29 0.00 0.61 1.18 0.00 0.00 175.17 176.71 2kmn n GLY 124 N -0.45 2.61 0.37 0.21 0.00 -0.34 -1.59 105.19 106.01 2kmn n GLY 124 Ca -0.07 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.36 0.07 0.99 3.38 -1.98 0.38 115.31 118.51 2kmn h LEU 125 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kmn h LEU 125 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kmn h LEU 125 CO 0.00 0.19 -0.03 0.25 0.09 0.00 0.00 178.44 178.94 2kmn h LEU 126 N 0.39 -0.08 -0.72 1.67 7.12 -1.67 -2.29 115.31 119.73 2kmn h LEU 126 Ca 0.34 -0.48 0.03 0.00 0.13 0.00 0.00 57.88 57.90 2kmn h LEU 126 Cb 0.79 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.89 2kmn h LEU 126 CO -0.10 0.47 0.46 0.00 -0.13 0.00 0.00 178.44 179.14 2kmn h ALA 127 N 0.17 0.94 0.35 1.25 0.00 -0.50 -1.13 119.26 120.35 2kmn h ALA 127 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kmn h ALA 127 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2kmn h ALA 127 CO 0.02 0.25 -0.17 0.82 0.00 0.00 0.00 179.25 180.17 2kmn h ILE 128 N 0.90 0.56 0.00 0.00 1.08 -0.33 -2.14 117.51 117.59 2kmn h ILE 128 Ca 0.29 -0.63 0.01 0.00 -0.39 0.00 0.00 64.86 64.14 2kmn h ILE 128 Cb 0.00 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 2kmn h ILE 128 CO -0.10 0.10 -0.05 0.00 -0.69 0.00 0.00 178.15 177.41 2kmn h ILE 130 N -0.09 1.06 -0.41 0.00 2.10 -1.31 0.66 117.51 119.53 2kmn h ILE 130 Ca 0.02 -0.26 -0.12 0.00 1.08 0.00 0.00 64.86 65.58 2kmn h ILE 130 Cb 0.11 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 36.05 2kmn h ILE 130 CO -0.05 0.14 -0.21 0.06 -1.08 0.00 0.00 178.15 177.01 2kmn h GLN 131 N 0.77 0.81 -0.30 2.19 3.07 -1.14 -2.38 115.11 118.13 2kmn h GLN 131 Ca 0.27 -0.33 0.02 0.00 0.09 0.00 0.00 58.65 58.70 2kmn h GLN 131 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.55 2kmn h GLN 131 CO -0.12 0.95 0.16 1.25 0.09 0.00 0.00 178.83 181.16 2kmn h HIS 132 N 0.71 0.30 -0.77 0.06 2.76 0.23 -2.05 115.15 116.39 2kmn h HIS 132 Ca 0.10 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.73 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 2kmn h HIS 132 CO 0.04 0.17 0.50 0.93 -1.30 0.00 0.00 177.93 178.27 2kmn h GLU 133 N 0.34 0.99 -0.35 5.26 4.39 -0.72 0.26 114.58 124.74 2kmn h GLU 133 Ca 0.12 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2kmn h GLU 133 Cb 0.02 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 2kmn h GLU 133 CO -0.07 0.65 0.14 0.52 -1.16 0.00 0.00 179.01 179.09 2kmn h MET 134 N 1.02 0.29 -0.21 2.33 2.86 -0.99 0.28 114.93 120.52 2kmn h MET 134 Ca 0.29 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2kmn h MET 134 Cb -0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2kmn h MET 134 CO -0.08 0.19 0.10 -0.44 1.06 0.00 0.00 176.91 177.74 2kmn h ASP 135 N 0.30 0.27 0.27 1.22 3.32 -0.82 -2.22 116.42 118.76 2kmn h ASP 135 Ca 0.16 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2kmn h ASP 135 Cb 0.11 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2kmn h ASP 135 CO -0.15 0.32 -0.15 -0.74 -1.72 0.00 0.00 179.24 176.81 2kmn h HIS 136 N 0.20 -0.39 -0.32 4.55 2.76 0.08 0.51 115.15 122.54 2kmn h HIS 136 Ca 0.07 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.29 2kmn h HIS 136 Cb 0.13 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2kmn h HIS 136 CO -0.02 -0.24 0.22 1.37 -1.30 0.00 0.00 177.93 177.96 2kmn h LEU 137 N -0.39 0.16 -2.11 0.26 8.10 -0.43 0.64 115.31 121.54 2kmn h LEU 137 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.91 2kmn h LEU 137 Cb 0.32 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.48 2kmn h LEU 137 CO 0.04 0.10 0.06 0.55 -4.11 0.00 0.00 178.44 175.09 2kmn n VAL 138 N -4.48 1.18 -3.69 0.15 3.14 -0.84 -0.78 118.33 113.02 2kmn n VAL 138 Ca 0.04 -0.53 -0.28 0.00 -2.96 0.00 0.00 64.34 60.61 2kmn n VAL 138 Cb 0.27 -0.53 0.02 0.00 -1.06 0.00 0.00 33.84 32.54 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 0.14 -0.50 2.66 7.55 0.00 0.22 -4.00 105.19 111.26 2kmn n GLY 139 Ca 0.13 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.39 0.45 0.10 1.61 -2.85 0.18 -4.41 119.74 108.44 2kmn s LYS 140 Ca 0.57 -0.63 0.09 0.00 -1.00 0.00 0.00 55.97 55.00 2kmn s LYS 140 Cb -0.29 -1.73 -0.03 0.00 -2.06 0.00 0.00 37.83 33.72 2kmn s LYS 140 CO 0.70 -0.88 -0.23 -0.51 0.10 0.00 0.00 175.35 174.54 2kmn s LEU 141 N 1.89 2.28 0.27 2.77 2.01 -1.26 -3.10 118.68 123.54 2kmn s LEU 141 Ca 0.06 -0.67 -0.05 0.00 0.01 0.00 0.00 54.13 53.48 2kmn s LEU 141 Cb -0.17 -0.99 0.32 0.00 0.01 0.00 0.00 46.19 45.36 2kmn s LEU 141 CO -0.23 0.11 1.93 -0.26 1.01 0.00 0.00 176.35 178.91 2kmn h PHE 142 N 4.17 1.19 -0.24 0.29 -1.00 -1.97 -1.91 116.94 117.46 2kmn h PHE 142 Ca -0.47 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.40 2kmn h PHE 142 Cb 1.17 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 2kmn h PHE 142 CO 0.59 0.76 0.26 1.98 -1.61 0.00 0.00 178.31 180.28 2kmn h MET 143 N 1.27 0.00 -0.27 1.51 4.05 -1.95 -1.70 114.93 117.84 2kmn h MET 143 Ca 0.34 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.84 2kmn h MET 143 Cb -0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 2kmn h MET 143 CO -0.07 0.00 0.29 0.22 0.23 0.00 0.00 176.91 177.58 2kmn h ASP 144 N 0.00 0.00 -0.62 1.39 3.58 -1.76 -1.79 116.42 117.21 2kmn h ASP 144 Ca 0.12 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.12 2kmn h ASP 144 Cb 0.63 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.35 2kmn h ASP 144 CO -0.00 0.00 -0.61 0.00 -2.88 0.00 0.00 179.24 175.75 2kmn n TYR 145 N -3.81 2.23 -3.44 0.28 9.36 -0.64 -5.03 117.16 116.11 2kmn n TYR 145 Ca 0.04 -2.12 -0.38 0.00 3.32 0.00 0.00 57.90 58.76 2kmn n TYR 145 Cb 0.44 -0.41 -0.06 0.00 -0.63 0.00 0.00 39.34 38.68 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 -3.54 4.47 0.00 2.98 1.43 -0.68 -5.13 118.68 118.21 2kmn s LEU 146 Ca 0.49 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2kmn s LEU 146 Cb 0.41 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2kmn s LEU 146 CO 0.02 0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.68