#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 4.74 0.24 -3.33 -7.23 -1.26 -4.40 120.40 109.17 2kmn s VAL 2 Ca 0.00 1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 61.81 2kmn s VAL 2 Cb 0.00 -4.14 0.06 0.00 0.56 0.00 0.00 36.38 32.86 2kmn s VAL 2 CO 0.00 0.34 0.32 0.00 -0.31 0.00 0.00 175.10 175.45 2kmn n LEU 3 N 2.94 0.00 -4.58 1.32 -0.00 -1.26 -4.96 117.00 110.47 2kmn n LEU 3 Ca -0.01 -0.35 -0.43 0.00 -0.00 0.00 0.00 56.01 55.21 2kmn n LEU 3 Cb 0.50 -0.25 -0.03 0.00 -0.00 0.00 0.00 43.42 43.64 2kmn n LEU 3 CO 0.48 -0.75 0.92 -1.58 -0.00 0.00 0.00 177.39 176.45 2kmn s GLN 4 N -3.71 3.58 -0.09 1.47 0.74 -1.26 -5.01 119.66 115.39 2kmn s GLN 4 Ca 0.18 0.29 -0.22 0.00 0.05 0.00 0.00 55.36 55.67 2kmn s GLN 4 Cb -0.01 -3.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 2kmn s GLN 4 CO 0.13 -1.39 0.62 0.08 -0.55 0.00 0.00 175.29 174.18 2kmn s VAL 5 N 4.25 5.10 0.23 1.34 1.01 -1.26 -3.76 120.40 127.30 2kmn s VAL 5 Ca 0.42 1.27 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 2kmn s VAL 5 Cb -0.09 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2kmn s VAL 5 CO 0.28 0.27 0.64 -0.76 0.00 0.00 0.00 175.10 175.53 2kmn s LEU 6 N 0.76 4.22 0.05 3.92 1.43 0.46 -4.96 118.68 124.57 2kmn s LEU 6 Ca 0.33 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 2kmn s LEU 6 Cb -0.17 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 2kmn s LEU 6 CO 0.15 -0.04 -0.16 -1.00 0.23 0.00 0.00 176.35 175.53 2kmn s HIS 7 N -1.70 1.43 0.26 0.29 3.76 -1.26 -3.73 115.29 114.35 2kmn s HIS 7 Ca 0.46 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.70 2kmn s HIS 7 Cb -0.13 -0.84 -0.10 0.00 1.11 0.00 0.00 32.58 32.61 2kmn s HIS 7 CO 0.19 0.07 1.47 0.42 -0.85 0.00 0.00 174.74 176.04 2kmn s ILE 8 N -0.88 2.52 0.26 0.60 1.09 -0.28 -3.48 121.20 121.03 2kmn s ILE 8 Ca 0.03 0.44 -0.29 0.00 -1.10 0.00 0.00 60.65 59.73 2kmn s ILE 8 Cb -0.08 -3.28 -0.09 0.00 -1.06 0.00 0.00 42.46 37.94 2kmn s ILE 8 CO 0.02 0.07 0.96 -2.16 -0.10 0.00 0.00 174.94 173.73 2kmn s PRO 9 N -0.46 4.78 -0.29 2.79 0.04 -1.26 -4.90 135.00 135.70 2kmn s PRO 9 Ca 0.60 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 2kmn s PRO 9 Cb -0.43 -3.18 0.11 0.00 0.04 0.00 0.00 34.50 31.04 2kmn s PRO 9 CO 0.45 0.44 0.70 0.34 0.04 0.00 0.00 177.00 178.97 2kmn s ASP 10 N -1.23 -1.00 0.21 6.66 2.15 -1.23 -5.04 116.67 117.18 2kmn s ASP 10 Ca 0.43 1.48 -0.10 0.00 0.43 0.00 0.00 52.55 54.79 2kmn s ASP 10 Cb -0.25 1.80 0.20 0.00 -0.30 0.00 0.00 42.92 44.37 2kmn s ASP 10 CO 0.31 -0.22 1.83 1.05 -0.17 0.00 0.00 175.17 177.97 2kmn h GLU 11 N 7.42 0.73 -0.40 4.34 9.09 -1.95 -2.02 114.58 131.79 2kmn h GLU 11 Ca -0.24 -0.04 0.12 0.00 0.05 0.00 0.00 59.36 59.24 2kmn h GLU 11 Cb 1.17 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 28.08 2kmn h GLU 11 CO 0.13 0.48 0.29 0.00 0.05 0.00 0.00 179.01 179.97 2kmn h ARG 12 N 0.75 0.01 0.02 1.06 2.47 -1.93 1.06 114.38 117.82 2kmn h ARG 12 Ca 0.28 -0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.79 2kmn h ARG 12 Cb 0.10 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2kmn h ARG 12 CO -0.14 0.00 -0.94 -0.07 0.56 0.00 0.00 179.97 179.38 2kmn h LEU 13 N 0.01 0.24 -1.55 3.04 3.38 -1.55 -2.61 115.31 116.28 2kmn h LEU 13 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kmn h LEU 13 Cb 0.76 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 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 -3.60 1.98 -3.43 1.13 5.12 0.20 -3.95 116.66 114.11 2kmn n ARG 14 Ca -0.04 -1.52 -0.33 0.00 -1.93 0.00 0.00 57.85 54.04 2kmn n ARG 14 Cb 0.85 -1.35 -0.05 0.00 -1.16 0.00 0.00 32.46 30.74 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 -1.49 3.84 -0.03 5.56 2.20 0.34 -4.45 119.74 125.71 2kmn s LYS 15 Ca 0.30 0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 55.95 2kmn s LYS 15 Cb 0.16 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 2kmn s LYS 15 CO 0.21 0.40 0.86 0.08 -0.36 0.00 0.00 175.35 176.54 2kmn s VAL 16 N -1.66 4.94 0.13 4.02 1.01 -1.26 0.65 120.40 128.23 2kmn s VAL 16 Ca 0.43 1.80 -0.15 0.00 0.00 0.00 0.00 61.98 64.06 2kmn s VAL 16 Cb -0.13 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 2kmn s VAL 16 CO 0.20 0.19 0.54 0.00 0.00 0.00 0.00 175.10 176.04 2kmn s ALA 17 N 0.96 3.59 -0.14 5.51 0.00 0.80 -4.79 121.76 127.68 2kmn s ALA 17 Ca 0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 2kmn s ALA 17 Cb -0.20 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2kmn s ALA 17 CO 0.24 0.45 0.01 0.21 0.00 0.00 0.00 175.76 176.67 2kmn s LYS 18 N -1.85 3.57 -0.36 0.00 2.36 -1.22 -4.29 119.74 117.96 2kmn s LYS 18 Ca 0.36 -0.42 -0.27 0.00 -2.55 0.00 0.00 55.97 53.09 2kmn s LYS 18 Cb -0.15 -2.99 0.02 0.00 -1.05 0.00 0.00 37.83 33.65 2kmn s LYS 18 CO 0.19 0.40 1.00 -1.25 1.55 0.00 0.00 175.35 177.25 2kmn s PRO 19 N -0.04 3.92 0.43 4.03 0.04 -1.26 -1.76 135.00 140.35 2kmn s PRO 19 Ca 0.04 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.60 2kmn s PRO 19 Cb -0.13 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.55 2kmn s PRO 19 CO 0.02 -0.97 1.23 0.08 0.04 0.00 0.00 177.00 177.40 2kmn s VAL 20 N 3.65 2.85 0.45 -0.36 1.01 -1.26 -4.92 120.40 121.82 2kmn s VAL 20 Ca 0.42 0.70 0.32 0.00 0.00 0.00 0.00 61.98 63.42 2kmn s VAL 20 Cb -0.11 -3.39 0.34 0.00 0.00 0.00 0.00 36.38 33.22 2kmn s VAL 20 CO 0.19 0.06 2.15 -0.33 0.00 0.00 0.00 175.10 177.16 2kmn h GLU 21 N 2.40 0.00 -2.12 2.72 3.07 -2.02 -3.44 114.58 115.18 2kmn h GLU 21 Ca -0.49 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.31 2kmn h GLU 21 Cb 1.25 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.95 2kmn h GLU 21 CO 0.61 0.07 0.10 -2.00 -1.40 0.00 0.00 179.01 176.39 2kmn s GLU 22 N -4.19 0.89 -0.54 2.33 2.12 -1.26 -5.12 118.70 112.92 2kmn s GLU 22 Ca -0.03 0.60 -0.28 0.00 0.36 0.00 0.00 54.97 55.63 2kmn s GLU 22 Cb 0.13 0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.54 -0.19 1.12 0.08 -0.54 0.00 0.00 175.26 176.27 2kmn s VAL 23 N -0.35 4.16 0.29 3.70 1.01 -1.26 -5.01 120.40 122.94 2kmn s VAL 23 Ca -0.05 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 2kmn s VAL 23 Cb -0.03 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 2kmn s VAL 23 CO 0.05 -1.18 0.49 0.20 0.00 0.00 0.00 175.10 174.65 2kmn s ASN 24 N 2.76 6.34 0.61 3.32 0.01 -1.26 -4.90 114.94 121.82 2kmn s ASN 24 Ca 0.42 0.43 0.30 0.00 -0.71 0.00 0.00 52.86 53.30 2kmn s ASN 24 Cb -0.08 -2.02 1.66 0.00 0.41 0.00 0.00 41.25 41.21 2kmn s ASN 24 CO 0.26 -0.19 2.03 0.00 -1.51 0.00 0.00 177.10 177.70 2kmn h ALA 25 N 1.26 1.75 -0.05 0.60 0.00 -1.98 0.85 119.26 121.71 2kmn h ALA 25 Ca -0.49 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2kmn h ALA 25 Cb 1.21 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2kmn h ALA 25 CO 0.64 -0.39 -0.45 0.93 0.00 0.00 0.00 179.25 179.97 2kmn h GLU 26 N 0.00 0.39 -0.31 0.00 4.39 -2.00 -2.25 114.58 114.81 2kmn h GLU 26 Ca 0.10 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 2kmn h GLU 26 Cb 0.67 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 2kmn h GLU 26 CO -0.00 1.01 -0.06 0.82 -1.16 0.00 0.00 179.01 179.62 2kmn h ILE 27 N -0.11 1.21 -0.46 3.13 5.03 -0.27 -2.36 117.51 123.69 2kmn h ILE 27 Ca -0.04 -0.89 -0.12 0.00 -0.12 0.00 0.00 64.86 63.68 2kmn h ILE 27 Cb 1.13 1.05 -0.01 0.00 -3.03 0.00 0.00 36.82 35.96 2kmn h ILE 27 CO 0.09 0.30 -0.20 1.56 -0.68 0.00 0.00 178.15 179.22 2kmn h GLN 28 N 0.47 0.95 -0.85 2.37 4.20 0.46 -2.44 115.11 120.27 2kmn h GLN 28 Ca 0.09 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 2kmn h GLN 28 Cb 0.41 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2kmn h GLN 28 CO 0.02 1.07 0.47 0.00 -0.67 0.00 0.00 178.83 179.72 2kmn h ARG 29 N 0.80 1.19 -0.24 1.46 2.47 -1.09 -0.77 114.38 118.18 2kmn h ARG 29 Ca 0.11 -0.13 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2kmn h ARG 29 Cb 0.77 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 2kmn h ARG 29 CO 0.06 0.86 0.07 0.82 0.56 0.00 0.00 179.97 182.35 2kmn h ILE 30 N 1.19 0.92 -0.38 2.04 5.03 -1.15 -1.61 117.51 123.55 2kmn h ILE 30 Ca 0.30 -0.06 -0.10 0.00 -0.12 0.00 0.00 64.86 64.88 2kmn h ILE 30 Cb 0.02 0.73 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 2kmn h ILE 30 CO -0.05 0.03 -0.16 0.58 -0.68 0.00 0.00 178.15 177.87 2kmn h VAL 31 N 0.18 1.28 -0.83 1.67 2.07 -1.09 -0.66 116.25 118.87 2kmn h VAL 31 Ca 0.11 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.42 2kmn h VAL 31 Cb 0.09 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2kmn h VAL 31 CO -0.12 0.43 0.50 0.44 0.02 0.00 0.00 177.57 178.83 2kmn h ASP 32 N 0.59 0.75 0.78 0.57 5.19 -0.93 0.09 116.42 123.46 2kmn h ASP 32 Ca 0.09 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.36 2kmn h ASP 32 Cb 0.70 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 2kmn h ASP 32 CO 0.05 0.46 -0.79 0.44 -3.12 0.00 0.00 179.24 176.28 2kmn h ASP 33 N 0.88 0.01 -0.35 6.45 5.19 -1.23 -2.56 116.42 124.80 2kmn h ASP 33 Ca 0.38 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2kmn h ASP 33 Cb 0.24 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2kmn h ASP 33 CO -0.20 0.80 0.21 0.24 -3.12 0.00 0.00 179.24 177.17 2kmn h MET 34 N 0.00 0.48 -0.16 3.56 2.86 0.60 1.01 114.93 123.28 2kmn h MET 34 Ca -0.01 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 2kmn h MET 34 Cb 1.40 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 2kmn h MET 34 CO 0.10 0.37 -0.15 0.27 1.06 0.00 0.00 176.91 178.56 2kmn h PHE 35 N 0.46 0.47 -0.97 -0.22 -5.15 -1.37 0.12 116.94 110.29 2kmn h PHE 35 Ca 0.13 -0.14 0.17 0.00 -0.20 0.00 0.00 57.97 57.93 2kmn h PHE 35 Cb 0.01 -0.10 -0.09 0.00 0.22 0.00 0.00 35.95 35.99 2kmn h PHE 35 CO -0.04 0.76 0.61 0.93 -2.00 0.00 0.00 178.31 178.57 2kmn h GLU 36 N 0.04 0.70 0.40 6.09 4.39 -1.11 0.25 114.58 125.34 2kmn h GLU 36 Ca 0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kmn h GLU 36 Cb 0.68 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2kmn h GLU 36 CO 0.04 0.46 -0.19 1.15 -1.16 0.00 0.00 179.01 179.31 2kmn h THR 37 N 0.72 0.00 -0.94 1.13 2.02 0.13 -2.26 112.91 113.72 2kmn h THR 37 Ca 0.52 -0.38 0.26 0.00 0.77 0.00 0.00 66.41 67.57 2kmn h THR 37 Cb 0.85 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.12 2kmn h THR 37 CO -0.29 0.00 0.44 -0.03 0.37 0.00 0.00 175.52 176.02 2kmn h MET 38 N -0.92 0.36 -0.26 6.66 1.85 0.50 0.96 114.93 124.08 2kmn h MET 38 Ca -0.05 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.88 2kmn h MET 38 Cb 0.41 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.36 2kmn h MET 38 CO 0.09 0.24 -0.35 1.88 -0.40 0.00 0.00 176.91 178.36 2kmn h TYR 39 N 0.37 0.87 0.00 1.39 -1.99 -0.67 0.62 116.97 117.56 2kmn h TYR 39 Ca 0.62 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 2kmn h TYR 39 Cb 1.27 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.83 2kmn h TYR 39 CO -0.11 1.05 -0.03 0.00 -0.00 0.00 0.00 178.16 179.07 2kmn h ALA 40 N 0.67 1.38 0.00 3.88 0.00 0.13 1.08 119.26 126.40 2kmn h ALA 40 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.04 -0.48 -1.91 0.00 0.00 0.00 179.25 176.98 2kmn n GLU 41 N -3.67 0.04 -2.07 0.00 4.07 0.18 -4.91 120.64 114.28 2kmn n GLU 41 Ca -0.03 0.01 -0.18 0.00 -0.06 0.00 0.00 57.16 56.91 2kmn n GLU 41 Cb 0.12 -1.53 -0.03 0.00 -0.06 0.00 0.00 31.44 29.95 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 -1.59 -1.37 -2.78 5.31 1.02 0.37 -4.97 120.64 116.64 2kmn n GLU 42 Ca 0.05 0.96 -0.36 0.00 -0.02 0.00 0.00 57.16 57.78 2kmn n GLU 42 Cb 0.35 -5.37 -0.07 0.00 -0.02 0.00 0.00 31.44 26.33 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 -2.40 2.74 0.00 0.62 0.00 0.20 -4.95 107.32 103.54 2kmn s GLY 43 Ca 0.00 0.51 0.30 0.00 0.00 0.00 0.00 44.72 45.53 2kmn s GLY 43 CO 0.00 0.93 2.13 1.39 0.00 0.00 0.00 173.10 177.55 2kmn n ILE 44 N 0.39 0.01 0.00 0.90 2.08 -1.26 -4.46 119.36 117.02 2kmn n ILE 44 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2kmn n ILE 44 Cb 0.51 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 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 1.00 1.53 3.13 7.39 0.00 -1.26 0.18 105.19 117.17 2kmn n GLY 45 Ca 0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 1.92 -0.15 0.99 2.96 0.57 -4.93 118.68 120.04 2kmn s LEU 46 Ca 0.00 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2kmn s LEU 46 Cb 0.00 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2kmn s LEU 46 CO 0.00 0.15 0.02 0.00 -1.32 0.00 0.00 176.35 175.21 2kmn s ALA 47 N 0.01 3.27 0.09 5.97 0.00 -1.26 -0.89 121.76 128.95 2kmn s ALA 47 Ca -0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 2kmn s ALA 47 Cb -0.11 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.33 2kmn s ALA 47 CO 0.02 0.29 0.67 0.00 0.00 0.00 0.00 175.76 176.74 2kmn n ALA 48 N 3.21 -0.15 -0.21 0.00 0.00 0.25 0.11 120.51 123.72 2kmn n ALA 48 Ca -0.17 0.41 0.17 0.00 0.00 0.00 0.00 53.44 53.84 2kmn n ALA 48 Cb 0.53 -0.13 0.50 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.47 0.00 1.35 -1.79 0.13 112.91 112.87 2kmn h THR 49 Ca 0.12 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 65.79 2kmn h THR 49 Cb 0.22 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 66.91 2kmn h THR 49 CO -0.42 0.08 0.15 1.56 -0.25 0.00 0.00 175.52 176.63 2kmn h GLN 50 N 0.42 0.73 -0.56 4.72 4.20 0.46 -2.25 115.11 122.83 2kmn h GLN 50 Ca 0.42 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2kmn h GLN 50 Cb 1.01 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2kmn h GLN 50 CO -0.15 0.69 0.00 1.33 -0.67 0.00 0.00 178.83 180.03 2kmn n VAL 51 N -4.54 0.64 -1.82 -0.54 0.24 0.28 -0.40 118.33 112.20 2kmn n VAL 51 Ca 0.01 -0.41 -0.02 0.00 -2.04 0.00 0.00 64.34 61.88 2kmn n VAL 51 Cb 0.19 -0.13 -0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 0.23 -1.81 -4.08 -1.34 2.03 -0.77 -4.42 116.55 106.39 2kmn n ASP 52 Ca 0.09 0.01 -0.32 0.00 0.52 0.00 0.00 54.79 55.08 2kmn n ASP 52 Cb 0.40 -0.88 -0.15 0.00 -0.72 0.00 0.00 41.12 39.77 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 -2.08 2.27 0.00 5.18 -4.36 -0.16 -4.97 121.20 117.07 2kmn s ILE 53 Ca 0.00 -1.62 -0.04 0.00 -0.26 0.00 0.00 60.65 58.73 2kmn s ILE 53 Cb 0.00 -2.34 -0.20 0.00 1.25 0.00 0.00 42.46 41.17 2kmn s ILE 53 CO 0.00 -0.05 2.86 0.00 0.24 0.00 0.00 174.94 178.00 2kmn n HIS 54 N 4.45 0.00 -4.03 1.37 1.44 -1.26 -3.03 115.22 114.16 2kmn n HIS 54 Ca -0.14 -1.16 -0.18 0.00 -2.01 0.00 0.00 57.72 54.24 2kmn n HIS 54 Cb 0.42 -1.28 -0.16 0.00 0.12 0.00 0.00 29.99 29.09 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 1.33 0.50 -0.66 -1.40 -0.21 -1.26 -3.44 119.66 114.51 2kmn s GLN 55 Ca 0.49 -0.01 -0.27 0.00 0.02 0.00 0.00 55.36 55.59 2kmn s GLN 55 Cb 0.23 -0.60 -0.26 0.00 1.00 0.00 0.00 33.01 33.38 2kmn s GLN 55 CO 0.00 -0.10 1.88 0.54 -2.12 0.00 0.00 175.29 175.49 2kmn n ARG 56 N 4.00 0.41 -4.62 2.91 1.74 -0.72 -4.59 116.66 115.79 2kmn n ARG 56 Ca -0.26 -1.56 -0.33 0.00 -0.77 0.00 0.00 57.85 54.94 2kmn n ARG 56 Cb 0.51 -3.27 -0.16 0.00 -1.02 0.00 0.00 32.46 28.52 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 11.37 2.09 0.06 0.55 1.01 -1.26 0.34 121.20 135.35 2kmn s ILE 57 Ca 0.73 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2kmn s ILE 57 Cb 0.05 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2kmn s ILE 57 CO 0.23 0.55 -0.13 0.27 0.00 0.00 0.00 174.94 175.86 2kmn s ILE 58 N 0.85 0.99 -0.02 2.92 -0.00 -0.73 0.87 121.20 126.08 2kmn s ILE 58 Ca -0.06 -1.15 0.06 0.00 -0.00 0.00 0.00 60.65 59.50 2kmn s ILE 58 Cb -0.15 -0.95 -0.01 0.00 -0.00 0.00 0.00 42.46 41.34 2kmn s ILE 58 CO -0.03 -0.18 -0.20 0.68 -0.00 0.00 0.00 174.94 175.21 2kmn s VAL 59 N -1.14 1.60 0.12 8.37 -7.23 -0.07 -1.10 120.40 120.96 2kmn s VAL 59 Ca -0.02 -0.86 0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2kmn s VAL 59 Cb -0.09 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 2kmn s VAL 59 CO 0.02 0.45 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.52 2kmn s ILE 60 N -0.37 3.28 0.00 -0.62 -1.09 0.32 -0.32 121.20 122.40 2kmn s ILE 60 Ca 0.05 -1.37 0.20 0.00 -2.23 0.00 0.00 60.65 57.29 2kmn s ILE 60 Cb -0.09 -2.55 0.32 0.00 -1.58 0.00 0.00 42.46 38.57 2kmn s ILE 60 CO 0.00 0.06 1.13 -0.67 -1.23 0.00 0.00 174.94 174.23 2kmn n ASP 61 N 0.57 0.75 -4.50 3.58 2.03 0.48 -1.00 116.55 118.46 2kmn n ASP 61 Ca -0.13 -2.00 -0.43 0.00 0.52 0.00 0.00 54.79 52.75 2kmn n ASP 61 Cb 0.53 -0.27 -0.07 0.00 -0.72 0.00 0.00 41.12 40.59 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 4.84 -0.43 5.18 1.01 -0.92 -4.68 120.40 125.40 2kmn s VAL 62 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2kmn s VAL 62 Cb 0.29 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2kmn s VAL 62 CO -0.13 -0.65 1.29 -1.20 0.00 0.00 0.00 175.10 174.41 2kmn n SER 63 N 6.24 -1.37 -0.18 3.32 7.64 -1.26 -4.75 113.62 123.26 2kmn n SER 63 Ca -0.03 -0.75 -0.02 0.00 1.01 0.00 0.00 58.87 59.08 2kmn n SER 63 Cb 0.47 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 63.27 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 8.04 -0.01 0.00 1.43 4.81 -1.92 -3.42 114.58 123.51 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 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2kmn h GLU 64 CO 1.07 -0.01 0.00 -1.71 -0.73 0.00 0.00 179.01 177.63 2kmn n ASN 65 N -5.40 0.06 0.00 1.04 4.05 -1.26 -5.04 115.26 108.71 2kmn n ASN 65 Ca 0.06 0.11 0.00 0.00 0.45 0.00 0.00 54.58 55.20 2kmn n ASN 65 Cb 0.30 0.06 0.00 0.00 1.23 0.00 0.00 39.78 41.36 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 -2.79 0.00 -4.20 1.20 1.74 -1.26 -5.07 116.66 106.28 2kmn n ARG 66 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 2kmn n ARG 66 Cb 0.00 -0.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.82 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 -3.81 5.37 -0.06 0.55 1.01 -1.26 -4.97 116.67 113.51 2kmn s ASP 67 Ca 0.00 0.09 -0.23 0.00 0.71 0.00 0.00 52.55 53.11 2kmn s ASP 67 Cb 0.00 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 2kmn s ASP 67 CO 0.00 0.26 0.69 -1.61 0.21 0.00 0.00 175.17 174.72 2kmn s GLU 68 N -0.15 4.43 0.00 8.23 2.02 -1.26 -4.25 118.70 127.72 2kmn s GLU 68 Ca 0.06 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2kmn s GLU 68 Cb -0.12 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.67 2kmn s GLU 68 CO 0.02 0.10 0.00 -2.13 0.02 0.00 0.00 175.26 173.27 2kmn n ARG 69 N 3.64 0.00 -4.31 1.61 0.63 -1.26 -5.01 116.66 111.97 2kmn n ARG 69 Ca -0.02 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.57 2kmn n ARG 69 Cb 0.51 0.00 -0.10 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 3.55 -0.02 6.15 1.43 -0.17 -5.00 118.68 124.61 2kmn s LEU 70 Ca 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2kmn s LEU 70 Cb 0.00 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2kmn s LEU 70 CO 0.00 0.29 -0.05 0.54 0.23 0.00 0.00 176.35 177.35 2kmn s VAL 71 N -0.32 0.50 -0.01 -1.59 0.11 -1.26 0.12 120.40 117.95 2kmn s VAL 71 Ca 0.07 -0.19 -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 34.25 2kmn s VAL 71 CO 0.02 0.18 0.05 -0.76 -3.33 0.00 0.00 175.10 171.25 2kmn s LEU 72 N 0.35 1.88 -0.04 2.54 2.01 -0.26 -4.38 118.68 120.78 2kmn s LEU 72 Ca -0.04 -0.11 0.05 0.00 0.01 0.00 0.00 54.13 54.04 2kmn s LEU 72 Cb -0.08 0.24 -0.01 0.00 0.01 0.00 0.00 46.19 46.36 2kmn s LEU 72 CO -0.00 -0.15 -0.19 -0.63 1.01 0.00 0.00 176.35 176.38 2kmn s ILE 73 N -0.61 1.60 -1.29 -0.59 1.09 0.45 -1.77 121.20 120.09 2kmn s ILE 73 Ca -0.07 -0.82 -0.09 0.00 -1.10 0.00 0.00 60.65 58.57 2kmn s ILE 73 Cb -0.04 -1.37 0.07 0.00 -1.06 0.00 0.00 42.46 40.06 2kmn s ILE 73 CO 0.00 0.46 0.48 0.59 -0.10 0.00 0.00 174.94 176.37 2kmn n ASN 74 N 3.04 -3.73 -4.69 3.58 5.03 0.15 -1.92 115.26 116.72 2kmn n ASN 74 Ca -0.18 -0.39 -0.33 0.00 0.87 0.00 0.00 54.58 54.56 2kmn n ASN 74 Cb 0.53 -3.09 0.13 0.00 -1.02 0.00 0.00 39.78 36.33 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 2kmn s PRO 75 N -6.00 1.51 0.00 3.52 0.02 -1.25 -4.80 135.00 128.00 2kmn s PRO 75 Ca 0.39 1.67 0.01 0.00 0.02 0.00 0.00 61.00 63.10 2kmn s PRO 75 Cb -0.21 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 2kmn s PRO 75 CO 0.49 -2.29 -0.03 -1.83 -0.33 0.00 0.00 177.00 173.00 2kmn s GLU 76 N -4.30 0.24 0.04 5.54 -1.05 0.21 -4.95 118.70 114.43 2kmn s GLU 76 Ca 0.71 -0.20 -0.30 0.00 -0.15 0.00 0.00 54.97 55.03 2kmn s GLU 76 Cb -0.26 -0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.21 2kmn s GLU 76 CO 0.52 0.04 0.96 -1.17 0.95 0.00 0.00 175.26 176.57 2kmn s LEU 77 N -0.32 4.41 -0.20 1.83 0.20 -1.26 -0.78 118.68 122.56 2kmn s LEU 77 Ca -0.02 1.69 0.03 0.00 0.69 0.00 0.00 54.13 56.52 2kmn s LEU 77 Cb -0.03 -3.56 -0.14 0.00 -0.43 0.00 0.00 46.19 42.04 2kmn s LEU 77 CO -0.00 -0.19 -0.16 0.18 -0.29 0.00 0.00 176.35 175.89 2kmn n LEU 78 N 3.50 2.70 -3.68 -0.68 7.99 0.62 -4.94 117.00 122.51 2kmn n LEU 78 Ca 0.04 -0.10 -0.14 0.00 -0.01 0.00 0.00 56.01 55.81 2kmn n LEU 78 Cb 0.50 -0.61 -0.07 0.00 -0.11 0.00 0.00 43.42 43.13 2kmn n LEU 78 CO 0.51 0.80 0.14 -0.70 -1.51 0.00 0.00 177.39 176.64 2kmn s GLU 79 N -2.41 0.84 -0.02 3.23 2.56 -0.71 -4.94 118.70 117.25 2kmn s GLU 79 Ca -0.26 -0.20 -0.12 0.00 0.00 0.00 0.00 54.97 54.40 2kmn s GLU 79 Cb 0.07 0.38 0.02 0.00 2.00 0.00 0.00 34.13 36.59 2kmn s GLU 79 CO 0.49 -0.26 0.25 -1.59 -0.56 0.00 0.00 175.26 173.59 2kmn s LYS 80 N -1.80 0.56 -0.09 4.30 -2.85 -1.26 -1.16 119.74 117.44 2kmn s LYS 80 Ca -0.10 -0.18 -0.28 0.00 -1.00 0.00 0.00 55.97 54.42 2kmn s LYS 80 Cb -0.02 0.24 0.06 0.00 -2.06 0.00 0.00 37.83 36.05 2kmn s LYS 80 CO 0.02 -0.14 0.64 -1.12 0.10 0.00 0.00 175.35 174.85 2kmn s SER 81 N -1.13 -0.62 0.22 0.03 0.01 0.11 -4.96 113.70 107.36 2kmn s SER 81 Ca -0.12 0.79 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2kmn s SER 81 Cb -0.06 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2kmn s SER 81 CO 0.03 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2kmn n GLY 82 N 1.35 -2.94 2.77 3.44 0.00 -1.26 0.11 105.19 108.65 2kmn n GLY 82 Ca -0.18 -1.29 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.60 0.78 0.28 1.61 0.41 -1.26 -0.03 118.70 116.89 2kmn s GLU 83 Ca 0.00 -0.26 0.07 0.00 -0.41 0.00 0.00 54.97 54.37 2kmn s GLU 83 Cb 0.00 -1.71 -0.03 0.00 -1.78 0.00 0.00 34.13 30.61 2kmn s GLU 83 CO 0.00 -0.49 0.30 0.95 -0.49 0.00 0.00 175.26 175.53 2kmn s THR 84 N 1.86 4.33 -0.16 3.63 -4.23 0.19 -4.85 115.64 116.41 2kmn s THR 84 Ca 0.01 -1.24 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 2kmn s THR 84 Cb -0.15 -3.45 0.08 0.00 1.34 0.00 0.00 72.50 70.32 2kmn s THR 84 CO -0.07 -0.27 0.30 -0.83 -0.54 0.00 0.00 174.62 173.21 2kmn s GLY 85 N -3.96 -0.19 -0.10 3.99 0.00 -1.26 -0.92 107.32 104.88 2kmn s GLY 85 Ca 0.37 0.98 -0.08 0.00 0.00 0.00 0.00 44.72 45.99 2kmn s GLY 85 CO 0.27 2.16 0.25 -0.42 0.00 0.00 0.00 173.10 175.36 2kmn s ILE 86 N 2.47 -0.01 0.27 0.90 -1.09 -1.20 -4.89 121.20 117.66 2kmn s ILE 86 Ca 0.02 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.17 2kmn s ILE 86 Cb -0.13 -0.37 -0.09 0.00 -1.58 0.00 0.00 42.46 40.29 2kmn s ILE 86 CO -0.11 0.01 1.17 -1.61 -1.23 0.00 0.00 174.94 173.17 2kmn s GLU 87 N 0.31 4.54 0.16 2.79 2.02 -1.26 -2.20 118.70 125.06 2kmn s GLU 87 Ca -0.01 1.92 -0.18 0.00 0.02 0.00 0.00 54.97 56.71 2kmn s GLU 87 Cb -0.03 -3.17 0.04 0.00 0.10 0.00 0.00 34.13 31.07 2kmn s GLU 87 CO -0.01 0.06 0.49 -1.21 0.02 0.00 0.00 175.26 174.61 2kmn s GLU 88 N -1.28 1.22 0.35 1.61 2.02 -0.47 -4.82 118.70 117.33 2kmn s GLU 88 Ca 0.47 -0.69 0.09 0.00 0.02 0.00 0.00 54.97 54.86 2kmn s GLU 88 Cb -0.34 0.52 -0.07 0.00 0.10 0.00 0.00 34.13 34.34 2kmn s GLU 88 CO 0.43 -0.51 -0.08 0.20 0.02 0.00 0.00 175.26 175.32 2kmn s GLY 89 N -2.81 2.22 -0.07 -1.39 0.00 -1.26 -0.22 107.32 103.79 2kmn s GLY 89 Ca 0.04 -2.11 0.03 0.00 0.00 0.00 0.00 44.72 42.68 2kmn s GLY 89 CO -0.09 -2.04 -0.15 0.00 0.00 0.00 0.00 173.10 170.81 2kmn h LEU 91 N 5.75 0.56 -0.20 0.00 -0.00 -1.93 0.71 115.31 120.20 2kmn h LEU 91 Ca -0.40 0.16 -0.14 0.00 -0.00 0.00 0.00 57.88 57.50 2kmn h LEU 91 Cb 1.17 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 2kmn h LEU 91 CO 0.51 -0.01 -0.68 0.28 -0.00 0.00 0.00 178.44 178.53 2kmn h SER 92 N 0.45 0.00 -3.74 -0.43 0.02 -1.86 -3.45 113.55 104.53 2kmn h SER 92 Ca 0.67 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 61.13 2kmn h SER 92 Cb 1.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 2kmn h SER 92 CO -0.54 0.68 0.11 -0.63 -1.14 0.00 0.00 176.83 175.31 2kmn s ILE 93 N -3.02 4.67 0.00 3.27 1.01 0.25 -1.13 121.20 126.26 2kmn s ILE 93 Ca 0.02 0.95 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 2kmn s ILE 93 Cb 0.09 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 2kmn s ILE 93 CO 0.77 -0.22 1.76 -0.81 0.00 0.00 0.00 174.94 176.44 2kmn n PRO 94 N -0.46 0.89 -1.09 2.79 -0.04 -1.26 -4.49 135.00 131.33 2kmn n PRO 94 Ca 0.04 -0.29 -0.03 0.00 -0.04 0.00 0.00 63.50 63.17 2kmn n PRO 94 Cb 0.53 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 2.18 -0.46 -2.48 0.54 4.71 -1.26 -4.95 120.64 118.92 2kmn n GLU 95 Ca 0.12 0.45 -0.39 0.00 -0.01 0.00 0.00 57.16 57.34 2kmn n GLU 95 Cb 0.42 -4.05 -0.03 0.00 -1.01 0.00 0.00 31.44 26.77 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 -1.63 3.44 0.01 3.49 -0.21 -1.26 -4.82 119.66 118.68 2kmn s GLN 96 Ca 0.00 -1.02 -0.25 0.00 0.02 0.00 0.00 55.36 54.10 2kmn s GLN 96 Cb 0.00 -5.32 -0.05 0.00 1.00 0.00 0.00 33.01 28.64 2kmn s GLN 96 CO 0.00 -2.40 0.79 1.03 -2.12 0.00 0.00 175.29 172.59 2kmn s ARG 97 N 5.27 4.50 0.06 2.91 0.52 -1.25 -4.54 118.95 126.42 2kmn s ARG 97 Ca 0.50 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.81 2kmn s ARG 97 Cb -0.01 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2kmn s ARG 97 CO -0.08 0.16 -0.08 0.00 0.02 0.00 0.00 175.30 175.33 2kmn s ALA 98 N 0.36 0.74 -0.33 2.13 0.00 0.69 -4.64 121.76 120.72 2kmn s ALA 98 Ca 0.41 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2kmn s ALA 98 Cb -0.20 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2kmn s ALA 98 CO 0.23 -0.09 1.29 -1.17 0.00 0.00 0.00 175.76 176.01 2kmn s LEU 99 N -2.12 3.83 -0.17 0.00 0.20 -1.26 -1.36 118.68 117.80 2kmn s LEU 99 Ca -0.02 1.10 -0.05 0.00 0.69 0.00 0.00 54.13 55.85 2kmn s LEU 99 Cb -0.04 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.14 2kmn s LEU 99 CO -0.01 -1.12 0.01 0.54 -0.29 0.00 0.00 176.35 175.48 2kmn s VAL 100 N 4.45 4.31 -0.10 1.68 0.11 -0.94 -4.76 120.40 125.14 2kmn s VAL 100 Ca 0.55 -0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 59.14 2kmn s VAL 100 Cb -0.15 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2kmn s VAL 100 CO 0.24 0.47 0.82 -2.16 -3.33 0.00 0.00 175.10 171.14 2kmn s PRO 101 N 0.40 4.40 0.18 1.54 0.05 -1.25 -3.24 135.00 137.08 2kmn s PRO 101 Ca -0.01 1.05 -0.05 0.00 0.05 0.00 0.00 61.00 62.05 2kmn s PRO 101 Cb -0.13 -3.51 -0.03 0.00 0.05 0.00 0.00 34.50 30.88 2kmn s PRO 101 CO 0.02 -0.14 0.21 -0.98 0.05 0.00 0.00 177.00 176.15 2kmn s ARG 102 N 1.46 1.18 0.68 4.56 3.03 -0.10 -4.97 118.95 124.79 2kmn s ARG 102 Ca 0.41 -1.40 -0.15 0.00 2.03 0.00 0.00 55.73 56.62 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 -0.41 1.12 0.00 -1.13 0.00 0.00 175.30 175.06 2kmn s ALA 103 N -4.06 2.38 0.07 7.88 0.00 -1.25 0.55 121.76 127.33 2kmn s ALA 103 Ca 0.27 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 2kmn s ALA 103 Cb 0.05 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 2kmn s ALA 103 CO 0.06 -1.44 1.25 1.49 0.00 0.00 0.00 175.76 177.12 2kmn h GLU 104 N -0.15 0.64 -3.74 0.00 4.81 0.45 -3.41 114.58 113.18 2kmn h GLU 104 Ca -0.47 -0.54 -0.23 0.00 -0.13 0.00 0.00 59.36 58.00 2kmn h GLU 104 Cb 1.25 0.12 -0.28 0.00 0.63 0.00 0.00 28.75 30.47 2kmn h GLU 104 CO 0.53 1.15 -0.72 0.15 -0.73 0.00 0.00 179.01 179.40 2kmn s LYS 105 N -3.68 0.02 -0.15 1.92 1.02 0.09 -1.19 119.74 117.77 2kmn s LYS 105 Ca -0.12 -0.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.70 2kmn s LYS 105 Cb 0.07 0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2kmn s LYS 105 CO 0.86 -0.00 0.41 0.14 -0.92 0.00 0.00 175.35 175.84 2kmn s VAL 106 N -0.08 0.00 -0.19 3.17 -7.23 0.26 0.07 120.40 116.40 2kmn s VAL 106 Ca -0.01 -0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 2kmn s VAL 106 Cb -0.01 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 2kmn s VAL 106 CO -0.00 -0.00 0.01 -0.54 -0.31 0.00 0.00 175.10 174.26 2kmn s LYS 107 N 0.19 3.71 0.07 4.82 -0.14 -0.31 0.60 119.74 128.67 2kmn s LYS 107 Ca -0.00 -0.48 0.02 0.00 -1.36 0.00 0.00 55.97 54.15 2kmn s LYS 107 Cb -0.03 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 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 0.80 0.62 -0.11 2.17 -5.25 0.94 -0.27 121.20 120.11 2kmn s ILE 108 Ca 0.01 -1.44 -0.05 0.00 -0.99 0.00 0.00 60.65 58.19 2kmn s ILE 108 Cb -0.14 -1.06 -0.04 0.00 2.95 0.00 0.00 42.46 44.17 2kmn s ILE 108 CO 0.02 -0.58 0.08 -0.13 -1.79 0.00 0.00 174.94 172.54 2kmn s ARG 109 N -2.50 3.27 0.27 0.37 0.52 0.04 0.26 118.95 121.18 2kmn s ARG 109 Ca -0.01 -0.26 -0.21 0.00 -0.52 0.00 0.00 55.73 54.73 2kmn s ARG 109 Cb -0.04 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.43 2kmn s ARG 109 CO -0.02 0.72 0.73 0.00 0.02 0.00 0.00 175.30 176.76 2kmn s ALA 110 N -0.90 -1.26 0.15 2.13 0.00 0.98 0.66 121.76 123.50 2kmn s ALA 110 Ca 0.14 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.94 2kmn s ALA 110 Cb -0.12 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2kmn s ALA 110 CO 0.03 -1.03 -0.22 -0.48 0.00 0.00 0.00 175.76 174.06 2kmn s LEU 111 N -2.92 2.53 0.50 0.00 0.05 -0.81 0.18 118.68 118.22 2kmn s LEU 111 Ca 0.11 -0.70 -0.05 0.00 0.05 0.00 0.00 54.13 53.54 2kmn s LEU 111 Cb -0.06 -1.35 -0.02 0.00 -2.05 0.00 0.00 46.19 42.71 2kmn s LEU 111 CO 0.06 0.16 0.80 -0.62 -0.55 0.00 0.00 176.35 176.20 2kmn s ASP 112 N -2.31 6.07 0.49 1.48 -1.08 -1.00 0.17 116.67 120.49 2kmn s ASP 112 Ca 0.18 0.82 0.21 0.00 -0.52 0.00 0.00 52.55 53.24 2kmn s ASP 112 Cb -0.10 -2.06 1.14 0.00 -1.46 0.00 0.00 42.92 40.44 2kmn s ASP 112 CO 0.09 -0.70 1.59 -0.09 0.52 0.00 0.00 175.17 176.59 2kmn h ARG 113 N 0.15 0.00 0.00 4.34 2.43 -1.92 0.51 114.38 119.89 2kmn h ARG 113 Ca -0.47 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.52 2kmn h ARG 113 Cb 1.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2kmn h ARG 113 CO 0.61 0.00 -0.86 -0.44 -1.51 0.00 0.00 179.97 177.77 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 5.19 -1.96 -3.47 116.42 112.38 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 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2kmn h ASP 114 CO 0.00 0.86 0.00 0.61 -3.12 0.00 0.00 179.24 177.59 2kmn n GLY 115 N 1.13 1.44 2.83 2.75 0.00 0.18 -5.10 105.19 108.42 2kmn n GLY 115 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.02 -0.27 1.61 1.02 -1.25 -4.92 119.74 116.72 2kmn s LYS 116 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 2kmn s LYS 116 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2kmn s LYS 116 CO 0.00 -0.87 1.41 -2.14 -0.92 0.00 0.00 175.35 172.83 2kmn s PRO 117 N 1.47 3.88 0.32 -1.68 0.02 -1.26 -2.37 135.00 135.37 2kmn s PRO 117 Ca 0.06 1.39 0.04 0.00 0.02 0.00 0.00 61.00 62.52 2kmn s PRO 117 Cb -0.18 -3.93 -0.06 0.00 0.02 0.00 0.00 34.50 30.35 2kmn s PRO 117 CO -0.17 -1.17 0.04 -0.59 -0.33 0.00 0.00 177.00 174.78 2kmn s PHE 118 N 4.63 1.98 -0.17 6.54 -0.12 0.46 -4.88 117.98 126.42 2kmn s PHE 118 Ca 0.61 -0.90 -0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2kmn s PHE 118 Cb -0.20 -1.27 -0.03 0.00 -0.63 0.00 0.00 43.02 40.89 2kmn s PHE 118 CO 0.25 0.07 0.01 -1.21 -0.05 0.00 0.00 175.22 174.29 2kmn s GLU 119 N -3.85 3.81 -0.05 1.99 2.02 -1.26 -0.02 118.70 121.34 2kmn s GLU 119 Ca 0.35 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.94 2kmn s GLU 119 Cb 0.08 -3.05 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 2kmn s GLU 119 CO 0.15 0.26 -0.17 -0.48 0.02 0.00 0.00 175.26 175.03 2kmn s LEU 120 N 0.37 1.91 -0.21 1.80 0.05 0.14 -4.96 118.68 117.77 2kmn s LEU 120 Ca -0.01 -0.36 -0.17 0.00 0.05 0.00 0.00 54.13 53.64 2kmn s LEU 120 Cb -0.13 -0.99 -0.03 0.00 -2.05 0.00 0.00 46.19 42.98 2kmn s LEU 120 CO 0.02 0.15 0.46 -1.83 -0.55 0.00 0.00 176.35 174.60 2kmn s GLU 121 N 0.09 4.16 -0.08 1.48 -1.05 -1.26 -0.04 118.70 122.00 2kmn s GLU 121 Ca -0.05 0.30 0.04 0.00 -0.15 0.00 0.00 54.97 55.11 2kmn s GLU 121 Cb -0.12 -3.57 -0.01 0.00 -0.44 0.00 0.00 34.13 29.99 2kmn s GLU 121 CO 0.03 -0.14 -0.20 0.00 0.95 0.00 0.00 175.26 175.89 2kmn s ALA 122 N 1.61 2.35 0.24 -0.84 0.00 0.20 -4.94 121.76 120.38 2kmn s ALA 122 Ca 0.21 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.25 2kmn s ALA 122 Cb -0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 2kmn s ALA 122 CO 0.09 0.38 -0.09 -0.51 0.00 0.00 0.00 175.76 175.64 2kmn s ASP 123 N -0.06 2.53 0.73 0.00 1.01 -1.26 0.90 116.67 120.52 2kmn s ASP 123 Ca -0.05 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.09 2kmn s ASP 123 Cb -0.14 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.66 2kmn s ASP 123 CO 0.04 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2kmn n GLY 124 N -0.47 2.51 0.37 0.21 0.00 -0.34 -1.57 105.19 105.91 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 0.31 0.10 0.99 4.07 -1.98 0.36 115.31 119.16 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 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2kmn h LEU 125 CO 0.00 0.17 -0.05 0.25 -1.08 0.00 0.00 178.44 177.74 2kmn h LEU 126 N 0.34 -0.11 -0.89 1.67 7.12 -1.66 -2.30 115.31 119.47 2kmn h LEU 126 Ca 0.31 -0.43 0.03 0.00 0.13 0.00 0.00 57.88 57.92 2kmn h LEU 126 Cb 0.75 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.86 2kmn h LEU 126 CO -0.08 0.41 0.58 0.00 -0.13 0.00 0.00 178.44 179.22 2kmn h ALA 127 N 0.11 1.17 0.29 1.25 0.00 -0.55 -1.58 119.26 119.95 2kmn h ALA 127 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kmn h ALA 127 Cb 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kmn h ALA 127 CO 0.02 0.46 -0.14 0.82 0.00 0.00 0.00 179.25 180.41 2kmn h ILE 128 N 1.14 0.67 -0.30 0.00 1.08 -0.35 -2.11 117.51 117.65 2kmn h ILE 128 Ca 0.35 -0.71 0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2kmn h ILE 128 Cb -0.03 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 2kmn h ILE 128 CO -0.11 0.13 0.13 0.00 -0.69 0.00 0.00 178.15 177.61 2kmn h ILE 130 N 0.28 1.10 -0.36 0.00 2.10 -1.37 -0.24 117.51 119.02 2kmn h ILE 130 Ca 0.13 -0.27 -0.04 0.00 1.08 0.00 0.00 64.86 65.76 2kmn h ILE 130 Cb 0.07 0.25 -0.01 0.00 -1.09 0.00 0.00 36.82 36.04 2kmn h ILE 130 CO -0.11 0.14 0.08 1.56 -1.08 0.00 0.00 178.15 178.75 2kmn h GLN 131 N 0.78 0.58 -0.36 2.19 4.20 -0.98 -2.44 115.11 119.08 2kmn h GLN 131 Ca 0.24 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.86 2kmn h GLN 131 Cb -0.01 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2kmn h GLN 131 CO -0.09 0.63 0.11 1.25 -0.67 0.00 0.00 178.83 180.06 2kmn h HIS 132 N 0.43 0.19 -0.88 2.96 2.76 -0.24 -1.50 115.15 118.88 2kmn h HIS 132 Ca 0.11 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2kmn h HIS 132 Cb 0.32 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 2kmn h HIS 132 CO 0.02 0.07 0.57 0.93 -1.30 0.00 0.00 177.93 178.22 2kmn h GLU 133 N 0.25 1.17 -0.47 5.26 4.39 -0.96 0.36 114.58 124.58 2kmn h GLU 133 Ca 0.17 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.81 2kmn h GLU 133 Cb 0.16 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2kmn h GLU 133 CO -0.19 0.79 0.28 0.52 -1.16 0.00 0.00 179.01 179.25 2kmn h MET 134 N 1.20 0.54 -0.09 2.33 2.86 -0.86 0.48 114.93 121.39 2kmn h MET 134 Ca 0.32 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2kmn h MET 134 Cb -0.12 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 2kmn h MET 134 CO -0.07 0.36 -0.01 -0.44 1.06 0.00 0.00 176.91 177.82 2kmn h ASP 135 N 0.56 0.15 0.12 1.22 5.19 -0.35 -1.78 116.42 121.53 2kmn h ASP 135 Ca 0.19 -0.33 0.01 0.00 -0.62 0.00 0.00 57.03 56.28 2kmn h ASP 135 Cb 0.02 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2kmn h ASP 135 CO -0.09 0.44 -0.18 -0.74 -3.12 0.00 0.00 179.24 175.56 2kmn h HIS 136 N -0.14 -0.46 0.00 4.55 2.76 0.11 0.33 115.15 122.30 2kmn h HIS 136 Ca 0.02 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 2kmn h HIS 136 Cb 0.37 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2kmn h HIS 136 CO 0.04 -0.26 -0.20 1.37 -1.30 0.00 0.00 177.93 177.57 2kmn h LEU 137 N -0.35 0.00 -1.50 0.26 8.10 -0.97 0.02 115.31 120.87 2kmn h LEU 137 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 2kmn h LEU 137 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 2kmn h LEU 137 CO -0.08 0.20 0.01 0.55 -4.11 0.00 0.00 178.44 175.01 2kmn n VAL 138 N -3.99 0.51 -0.81 0.15 3.14 -0.67 -0.14 118.33 116.52 2kmn n VAL 138 Ca -0.02 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2kmn n VAL 138 Cb 0.28 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 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 0.17 0.32 3.80 7.55 0.00 0.21 -4.10 105.19 113.14 2kmn n GLY 139 Ca 0.02 0.00 -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 -0.82 3.90 0.02 1.61 -2.85 0.11 -4.13 119.74 117.58 2kmn s LYS 140 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2kmn s LYS 140 Cb 0.00 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 2kmn s LYS 140 CO 0.00 0.51 -0.04 -0.51 0.10 0.00 0.00 175.35 175.41 2kmn s LEU 141 N -0.31 2.23 0.41 2.77 1.02 -1.26 -1.21 118.68 122.33 2kmn s LEU 141 Ca 0.15 -0.49 0.14 0.00 0.02 0.00 0.00 54.13 53.95 2kmn s LEU 141 Cb -0.13 0.05 0.98 0.00 0.02 0.00 0.00 46.19 47.11 2kmn s LEU 141 CO 0.04 -0.27 1.91 2.19 0.02 0.00 0.00 176.35 180.24 2kmn h PHE 142 N 4.69 0.58 0.00 0.29 -5.15 -1.96 0.10 116.94 115.49 2kmn h PHE 142 Ca -0.32 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.45 2kmn h PHE 142 Cb 1.21 -0.18 -0.00 0.00 0.22 0.00 0.00 35.95 37.19 2kmn h PHE 142 CO 0.65 0.22 -0.05 1.98 -2.00 0.00 0.00 178.31 179.11 2kmn h MET 143 N 0.50 0.00 -0.00 6.09 4.05 -1.96 -0.91 114.93 122.70 2kmn h MET 143 Ca 0.39 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.81 2kmn h MET 143 Cb 0.79 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.59 2kmn h MET 143 CO -0.14 0.05 0.00 0.22 0.23 0.00 0.00 176.91 177.27 2kmn h ASP 144 N 0.00 0.00 0.00 1.39 1.82 -1.20 -2.29 116.42 116.14 2kmn h ASP 144 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kmn h ASP 144 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2kmn h ASP 144 CO 0.01 0.00 -0.01 0.00 -1.61 0.00 0.00 179.24 177.63 2kmn n TYR 145 N -3.84 0.00 -3.37 0.28 9.36 -0.41 -5.04 117.16 114.14 2kmn n TYR 145 Ca -0.03 -0.68 -0.38 0.00 3.32 0.00 0.00 57.90 60.13 2kmn n TYR 145 Cb 0.08 -0.09 -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 -1.73 4.49 0.00 2.98 1.02 -0.84 -5.11 118.68 119.49 2kmn s LEU 146 Ca 0.13 1.11 0.21 0.00 0.02 0.00 0.00 54.13 55.60 2kmn s LEU 146 Cb 0.12 -2.75 1.25 0.00 0.02 0.00 0.00 46.19 44.83 2kmn s LEU 146 CO 0.01 0.28 1.64 -1.20 0.02 0.00 0.00 176.35 177.10