#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 4.64 0.00 0.44 -7.23 -1.26 -4.48 120.40 112.51 2kmn s VAL 2 Ca 0.00 1.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.87 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 0.38 0.00 0.00 -0.31 0.00 0.00 175.10 175.17 2kmn n LEU 3 N 2.61 0.00 -4.47 1.32 -0.00 -1.26 -4.99 117.00 110.21 2kmn n LEU 3 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.55 2kmn n LEU 3 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 2kmn n LEU 3 CO 0.48 -0.10 0.26 -1.58 -0.00 0.00 0.00 177.39 176.44 2kmn s GLN 4 N -0.54 3.15 -0.10 1.47 2.00 -1.26 -5.04 119.66 119.34 2kmn s GLN 4 Ca 0.00 -0.73 -0.21 0.00 -2.00 0.00 0.00 55.36 52.42 2kmn s GLN 4 Cb 0.00 -4.02 -0.04 0.00 0.80 0.00 0.00 33.01 29.76 2kmn s GLN 4 CO 0.00 -1.04 0.62 0.08 -0.50 0.00 0.00 175.29 174.45 2kmn s VAL 5 N 2.48 5.09 0.16 1.34 1.01 -1.26 -3.25 120.40 125.96 2kmn s VAL 5 Ca 0.16 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 2kmn s VAL 5 Cb -0.17 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 2kmn s VAL 5 CO 0.14 0.26 0.64 -0.76 0.00 0.00 0.00 175.10 175.38 2kmn s LEU 6 N 0.85 4.41 0.06 3.92 1.43 0.11 -4.92 118.68 124.54 2kmn s LEU 6 Ca 0.33 1.29 0.09 0.00 -1.03 0.00 0.00 54.13 54.81 2kmn s LEU 6 Cb -0.17 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2kmn s LEU 6 CO 0.15 0.13 -0.26 -1.00 0.23 0.00 0.00 176.35 175.60 2kmn s HIS 7 N -1.37 2.23 0.23 0.29 3.76 -1.26 -4.05 115.29 115.12 2kmn s HIS 7 Ca 0.37 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.58 2kmn s HIS 7 Cb -0.17 -1.31 -0.10 0.00 1.11 0.00 0.00 32.58 32.11 2kmn s HIS 7 CO 0.20 0.17 1.43 0.42 -0.85 0.00 0.00 174.74 176.11 2kmn s ILE 8 N -0.87 2.76 0.28 0.60 -1.09 -0.27 -3.36 121.20 119.25 2kmn s ILE 8 Ca 0.11 0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 58.88 2kmn s ILE 8 Cb -0.10 -3.40 -0.09 0.00 -1.58 0.00 0.00 42.46 37.29 2kmn s ILE 8 CO 0.03 0.09 1.00 -2.16 -1.23 0.00 0.00 174.94 172.67 2kmn s PRO 9 N -0.18 4.68 -0.29 2.79 0.04 -1.26 -4.80 135.00 135.98 2kmn s PRO 9 Ca 0.60 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2kmn s PRO 9 Cb -0.41 -3.10 0.11 0.00 0.04 0.00 0.00 34.50 31.14 2kmn s PRO 9 CO 0.41 0.32 0.71 0.34 0.04 0.00 0.00 177.00 178.82 2kmn s ASP 10 N -1.20 -0.96 0.17 6.66 2.15 -1.21 -5.05 116.67 117.22 2kmn s ASP 10 Ca 0.45 1.45 -0.15 0.00 0.43 0.00 0.00 52.55 54.73 2kmn s ASP 10 Cb -0.26 1.69 0.08 0.00 -0.30 0.00 0.00 42.92 44.13 2kmn s ASP 10 CO 0.33 -0.22 1.79 1.05 -0.17 0.00 0.00 175.17 177.95 2kmn h GLU 11 N 7.27 0.48 -0.04 4.34 4.11 -1.95 -1.92 114.58 126.87 2kmn h GLU 11 Ca -0.25 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.16 2kmn h GLU 11 Cb 1.18 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kmn h GLU 11 CO 0.14 0.32 0.04 0.00 0.07 0.00 0.00 179.01 179.58 2kmn h ARG 12 N 0.49 0.00 0.02 1.06 3.08 -1.93 1.07 114.38 118.17 2kmn h ARG 12 Ca 0.19 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.03 2kmn h ARG 12 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2kmn h ARG 12 CO -0.11 0.00 -0.93 -0.07 -1.07 0.00 0.00 179.97 177.79 2kmn h LEU 13 N 0.00 0.31 -2.03 3.04 3.38 -1.55 -2.60 115.31 115.86 2kmn h LEU 13 Ca 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kmn h LEU 13 Cb 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kmn h LEU 13 CO -0.00 1.08 0.00 0.54 0.09 0.00 0.00 178.44 180.15 2kmn n ARG 14 N -3.65 2.38 -3.50 1.13 5.12 0.13 -3.71 116.66 114.55 2kmn n ARG 14 Ca -0.04 -1.93 -0.31 0.00 -1.93 0.00 0.00 57.85 53.63 2kmn n ARG 14 Cb 0.84 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.62 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 -1.39 3.71 -0.16 5.56 2.20 0.35 -4.34 119.74 125.68 2kmn s LYS 15 Ca 0.36 0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.81 2kmn s LYS 15 Cb 0.19 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 2kmn s LYS 15 CO 0.23 0.36 0.87 0.08 -0.36 0.00 0.00 175.35 176.52 2kmn s VAL 16 N -1.80 4.86 0.36 4.02 1.01 -1.26 0.16 120.40 127.76 2kmn s VAL 16 Ca 0.45 1.72 -0.22 0.00 0.00 0.00 0.00 61.98 63.92 2kmn s VAL 16 Cb -0.11 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 2kmn s VAL 16 CO 0.24 0.02 0.91 0.00 0.00 0.00 0.00 175.10 176.27 2kmn s ALA 17 N 2.12 3.16 -0.17 5.51 0.00 0.15 -4.82 121.76 127.72 2kmn s ALA 17 Ca 0.40 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2kmn s ALA 17 Cb -0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2kmn s ALA 17 CO 0.13 0.18 -0.04 0.21 0.00 0.00 0.00 175.76 176.24 2kmn s LYS 18 N -2.64 3.60 -0.35 0.00 2.36 -1.26 -4.38 119.74 117.06 2kmn s LYS 18 Ca 0.55 -0.55 -0.29 0.00 -2.55 0.00 0.00 55.97 53.13 2kmn s LYS 18 Cb -0.13 -2.92 0.01 0.00 -1.05 0.00 0.00 37.83 33.74 2kmn s LYS 18 CO 0.18 0.15 1.22 -1.25 1.55 0.00 0.00 175.35 177.20 2kmn s PRO 19 N 0.59 3.88 0.43 4.03 0.04 -1.26 -1.66 135.00 141.05 2kmn s PRO 19 Ca -0.03 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 2kmn s PRO 19 Cb -0.14 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.46 2kmn s PRO 19 CO 0.03 -1.16 1.21 0.08 0.04 0.00 0.00 177.00 177.20 2kmn s VAL 20 N 4.30 2.94 0.53 -0.36 1.01 -1.26 -4.92 120.40 122.64 2kmn s VAL 20 Ca 0.52 0.77 0.21 0.00 0.00 0.00 0.00 61.98 63.49 2kmn s VAL 20 Cb -0.13 -3.42 0.29 0.00 0.00 0.00 0.00 36.38 33.11 2kmn s VAL 20 CO 0.24 0.06 2.16 -0.33 0.00 0.00 0.00 175.10 177.23 2kmn h GLU 21 N 2.42 0.00 -2.20 2.72 4.39 -2.04 -3.44 114.58 116.43 2kmn h GLU 21 Ca -0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 2kmn h GLU 21 Cb 1.25 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.69 2kmn h GLU 21 CO 0.62 0.03 0.05 -2.00 -1.16 0.00 0.00 179.01 176.55 2kmn s GLU 22 N -4.80 0.82 -0.52 2.33 2.12 -1.26 -5.12 118.70 112.26 2kmn s GLU 22 Ca -0.05 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 2kmn s GLU 22 Cb 0.16 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.62 -0.15 1.18 0.08 -0.54 0.00 0.00 175.26 176.45 2kmn s VAL 23 N -0.13 4.11 0.61 3.70 1.01 -1.26 -5.02 120.40 123.43 2kmn s VAL 23 Ca -0.03 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.04 2kmn s VAL 23 Cb -0.03 -4.64 0.07 0.00 0.00 0.00 0.00 36.38 31.78 2kmn s VAL 23 CO 0.03 -1.13 0.86 0.20 0.00 0.00 0.00 175.10 175.05 2kmn s ASN 24 N 2.75 4.92 0.43 3.32 0.01 -1.26 -4.90 114.94 120.21 2kmn s ASN 24 Ca 0.47 -0.21 0.17 0.00 -0.71 0.00 0.00 52.86 52.58 2kmn s ASN 24 Cb -0.07 -0.46 0.99 0.00 0.41 0.00 0.00 41.25 42.12 2kmn s ASN 24 CO 0.29 -1.42 1.94 0.00 -1.51 0.00 0.00 177.10 176.40 2kmn h ALA 25 N -0.14 1.45 -0.12 0.60 0.00 -1.98 0.32 119.26 119.38 2kmn h ALA 25 Ca -0.39 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.07 2kmn h ALA 25 Cb 1.28 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2kmn h ALA 25 CO 0.47 0.31 -0.83 0.93 0.00 0.00 0.00 179.25 180.12 2kmn h GLU 26 N 0.00 0.77 -0.43 0.00 4.39 -2.00 -2.34 114.58 114.97 2kmn h GLU 26 Ca -0.00 -0.66 -0.10 0.00 0.34 0.00 0.00 59.36 58.94 2kmn h GLU 26 Cb 0.48 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2kmn h GLU 26 CO 0.03 1.26 -0.14 0.82 -1.16 0.00 0.00 179.01 179.82 2kmn h ILE 27 N 0.51 1.26 -0.59 3.13 5.03 -1.71 -2.22 117.51 122.92 2kmn h ILE 27 Ca -0.07 -1.23 -0.09 0.00 -0.12 0.00 0.00 64.86 63.35 2kmn h ILE 27 Cb 1.46 1.09 -0.02 0.00 -3.03 0.00 0.00 36.82 36.32 2kmn h ILE 27 CO 0.17 0.42 0.00 1.56 -0.68 0.00 0.00 178.15 179.62 2kmn h GLN 28 N 0.71 1.04 -0.76 2.37 4.20 -0.32 -2.51 115.11 119.84 2kmn h GLN 28 Ca 0.11 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 2kmn h GLN 28 Cb 0.64 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2kmn h GLN 28 CO 0.04 1.02 0.29 0.00 -0.67 0.00 0.00 178.83 179.52 2kmn h ARG 29 N 0.93 1.15 -0.22 1.46 2.47 -1.25 -1.57 114.38 117.35 2kmn h ARG 29 Ca 0.17 -0.21 0.05 0.00 -1.26 0.00 0.00 59.98 58.72 2kmn h ARG 29 Cb 0.55 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.64 2kmn h ARG 29 CO 0.03 0.94 -0.07 0.82 0.56 0.00 0.00 179.97 182.25 2kmn h ILE 30 N 1.12 0.75 -0.57 2.04 2.04 -1.04 -1.46 117.51 120.40 2kmn h ILE 30 Ca 0.25 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.05 2kmn h ILE 30 Cb 0.23 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2kmn h ILE 30 CO -0.02 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.80 2kmn h VAL 31 N -0.02 1.26 -0.74 1.67 2.07 -1.25 -1.20 116.25 118.04 2kmn h VAL 31 Ca 0.11 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.74 2kmn h VAL 31 Cb 0.18 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2kmn h VAL 31 CO -0.24 0.36 0.39 0.44 0.02 0.00 0.00 177.57 178.54 2kmn h ASP 32 N 0.84 0.53 0.81 0.57 3.32 -0.77 -0.16 116.42 121.55 2kmn h ASP 32 Ca 0.17 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 2kmn h ASP 32 Cb 0.42 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2kmn h ASP 32 CO 0.01 0.30 -0.77 0.44 -1.72 0.00 0.00 179.24 177.50 2kmn h ASP 33 N 0.66 0.00 -0.33 6.45 5.19 -1.18 -2.61 116.42 124.60 2kmn h ASP 33 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 2kmn h ASP 33 Cb 0.35 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2kmn h ASP 33 CO -0.26 0.77 0.22 0.24 -3.12 0.00 0.00 179.24 177.09 2kmn h MET 34 N 0.00 0.44 -0.17 3.56 2.86 0.23 0.98 114.93 122.82 2kmn h MET 34 Ca -0.01 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2kmn h MET 34 Cb 1.39 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 2kmn h MET 34 CO 0.10 0.30 -0.18 0.27 1.06 0.00 0.00 176.91 178.46 2kmn h PHE 35 N 0.45 0.52 -0.99 -0.22 -5.15 -1.46 0.89 116.94 110.97 2kmn h PHE 35 Ca 0.12 -0.16 0.16 0.00 -0.20 0.00 0.00 57.97 57.90 2kmn h PHE 35 Cb -0.04 -0.11 -0.09 0.00 0.22 0.00 0.00 35.95 35.93 2kmn h PHE 35 CO -0.05 0.81 0.62 0.93 -2.00 0.00 0.00 178.31 178.61 2kmn h GLU 36 N 0.08 0.79 0.42 6.09 4.39 -1.09 0.20 114.58 125.46 2kmn h GLU 36 Ca 0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2kmn h GLU 36 Cb 0.72 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kmn h GLU 36 CO 0.04 0.52 -0.20 1.15 -1.16 0.00 0.00 179.01 179.37 2kmn h THR 37 N 0.81 0.00 -0.97 1.13 2.02 0.12 -2.21 112.91 113.81 2kmn h THR 37 Ca 0.53 -0.41 0.27 0.00 0.77 0.00 0.00 66.41 67.57 2kmn h THR 37 Cb 0.77 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.04 2kmn h THR 37 CO -0.31 0.00 0.50 -0.03 0.37 0.00 0.00 175.52 176.05 2kmn h MET 38 N -0.97 0.39 -0.27 6.66 1.85 0.22 1.20 114.93 124.01 2kmn h MET 38 Ca -0.06 -0.02 -0.13 0.00 -0.61 0.00 0.00 59.70 58.88 2kmn h MET 38 Cb 0.43 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.37 2kmn h MET 38 CO 0.09 0.25 -0.34 1.88 -0.40 0.00 0.00 176.91 178.40 2kmn h TYR 39 N 0.40 0.86 0.00 1.39 -1.99 -0.75 0.73 116.97 117.60 2kmn h TYR 39 Ca 0.65 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 2kmn h TYR 39 Cb 1.36 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.91 2kmn h TYR 39 CO -0.07 1.03 -0.02 0.00 -0.00 0.00 0.00 178.16 179.10 2kmn h ALA 40 N 0.68 1.42 0.00 3.88 0.00 0.18 1.09 119.26 126.50 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 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kmn h ALA 40 CO 0.08 0.03 -0.51 -1.91 0.00 0.00 0.00 179.25 176.94 2kmn n GLU 41 N -3.72 0.08 -1.78 0.00 4.07 0.22 -4.91 120.64 114.60 2kmn n GLU 41 Ca -0.03 0.02 -0.15 0.00 -0.06 0.00 0.00 57.16 56.94 2kmn n GLU 41 Cb 0.11 -1.55 -0.04 0.00 -0.06 0.00 0.00 31.44 29.90 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 -1.67 -1.13 -2.72 5.31 1.02 0.37 -4.98 120.64 116.85 2kmn n GLU 42 Ca 0.05 0.92 -0.39 0.00 -0.02 0.00 0.00 57.16 57.72 2kmn n GLU 42 Cb 0.37 -5.15 -0.06 0.00 -0.02 0.00 0.00 31.44 26.58 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 -2.63 2.98 0.00 0.62 0.00 0.24 -4.95 107.32 103.58 2kmn s GLY 43 Ca 0.00 0.62 0.27 0.00 0.00 0.00 0.00 44.72 45.62 2kmn s GLY 43 CO 0.00 1.14 2.01 1.39 0.00 0.00 0.00 173.10 177.64 2kmn n ILE 44 N 1.04 0.01 0.00 0.90 5.41 -1.26 -4.36 119.36 121.09 2kmn n ILE 44 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2kmn n ILE 44 Cb 0.48 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 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 0.96 1.17 3.12 7.39 0.00 -1.26 0.16 105.19 116.74 2kmn n GLY 45 Ca 0.20 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 1.89 -0.17 0.99 2.96 0.13 -4.94 118.68 119.54 2kmn s LEU 46 Ca 0.00 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 2kmn s LEU 46 Cb 0.00 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 2kmn s LEU 46 CO 0.00 0.14 0.20 0.00 -1.32 0.00 0.00 176.35 175.37 2kmn s ALA 47 N 0.13 3.68 0.11 5.97 0.00 -1.26 -1.20 121.76 129.19 2kmn s ALA 47 Ca -0.06 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 2kmn s ALA 47 Cb -0.12 -2.23 0.08 0.00 0.00 0.00 0.00 23.12 20.84 2kmn s ALA 47 CO 0.03 0.21 0.78 0.00 0.00 0.00 0.00 175.76 176.78 2kmn n ALA 48 N 3.25 -0.13 -0.24 0.00 0.00 0.13 0.56 120.51 124.07 2kmn n ALA 48 Ca -0.15 0.48 0.15 0.00 0.00 0.00 0.00 53.44 53.92 2kmn n ALA 48 Cb 0.52 -0.18 0.44 0.00 0.00 0.00 0.00 19.45 20.23 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 0.77 -0.62 0.00 1.35 -1.73 0.69 112.91 113.36 2kmn h THR 49 Ca 0.15 -0.19 -0.05 0.00 -0.55 0.00 0.00 66.41 65.78 2kmn h THR 49 Cb 0.28 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.84 2kmn h THR 49 CO -0.49 0.10 0.21 1.56 -0.25 0.00 0.00 175.52 176.65 2kmn h GLN 50 N 0.55 0.95 -0.65 4.72 4.20 -0.17 -1.98 115.11 122.72 2kmn h GLN 50 Ca 0.45 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2kmn h GLN 50 Cb 0.91 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2kmn h GLN 50 CO -0.19 0.84 0.00 1.33 -0.67 0.00 0.00 178.83 180.14 2kmn n VAL 51 N -4.40 0.40 -1.89 -0.54 0.24 0.10 0.09 118.33 112.34 2kmn n VAL 51 Ca 0.04 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.34 62.07 2kmn n VAL 51 Cb 0.20 -0.26 -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 0.04 -1.94 -4.02 -1.34 2.03 -0.75 -4.21 116.55 106.37 2kmn n ASP 52 Ca 0.05 0.01 -0.31 0.00 0.52 0.00 0.00 54.79 55.06 2kmn n ASP 52 Cb 0.32 -1.09 -0.15 0.00 -0.72 0.00 0.00 41.12 39.48 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 -2.13 1.91 -1.32 5.18 -5.25 -0.39 -4.98 121.20 114.22 2kmn s ILE 53 Ca 0.00 -1.43 -0.11 0.00 -0.99 0.00 0.00 60.65 58.12 2kmn s ILE 53 Cb 0.00 -2.06 -0.06 0.00 2.95 0.00 0.00 42.46 43.29 2kmn s ILE 53 CO 0.00 -0.02 2.48 0.00 -1.79 0.00 0.00 174.94 175.61 2kmn n HIS 54 N 4.54 2.33 -3.70 1.37 1.44 -1.26 -2.63 115.22 117.31 2kmn n HIS 54 Ca -0.14 -2.65 -0.11 0.00 -2.01 0.00 0.00 57.72 52.81 2kmn n HIS 54 Cb 0.43 -2.22 -0.10 0.00 0.12 0.00 0.00 29.99 28.23 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmn s GLN 55 N 3.01 0.49 -0.34 -1.40 -1.52 -1.26 -4.03 119.66 114.60 2kmn s GLN 55 Ca 0.56 0.77 -0.19 0.00 -1.95 0.00 0.00 55.36 54.55 2kmn s GLN 55 Cb 0.15 0.12 -0.20 0.00 -0.22 0.00 0.00 33.01 32.86 2kmn s GLN 55 CO -0.04 -0.12 1.64 0.54 -0.25 0.00 0.00 175.29 177.06 2kmn n ARG 56 N 3.65 0.70 -4.10 2.91 1.74 -0.66 -4.50 116.66 116.40 2kmn n ARG 56 Ca -0.19 -1.20 -0.35 0.00 -0.77 0.00 0.00 57.85 55.34 2kmn n ARG 56 Cb 0.56 -2.51 -0.14 0.00 -1.02 0.00 0.00 32.46 29.35 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 5.56 3.52 0.05 0.55 1.01 -1.26 0.74 121.20 131.37 2kmn s ILE 57 Ca 0.48 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.73 2kmn s ILE 57 Cb 0.11 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2kmn s ILE 57 CO 0.16 0.44 -0.16 0.27 0.00 0.00 0.00 174.94 175.65 2kmn s ILE 58 N 1.13 1.30 -0.02 2.92 -5.25 -0.03 0.19 121.20 121.45 2kmn s ILE 58 Ca 0.02 -1.13 0.05 0.00 -0.99 0.00 0.00 60.65 58.60 2kmn s ILE 58 Cb -0.15 -1.17 -0.01 0.00 2.95 0.00 0.00 42.46 44.08 2kmn s ILE 58 CO -0.00 0.02 -0.18 0.68 -1.79 0.00 0.00 174.94 173.67 2kmn s VAL 59 N -0.91 1.41 0.17 8.37 -7.23 -0.34 -0.33 120.40 121.54 2kmn s VAL 59 Ca 0.03 -0.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.54 2kmn s VAL 59 Cb -0.08 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2kmn s VAL 59 CO 0.02 0.40 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.43 2kmn s ILE 60 N -0.33 2.91 -0.00 -0.62 -1.09 0.27 -0.69 121.20 121.64 2kmn s ILE 60 Ca 0.05 -1.71 0.00 0.00 -2.23 0.00 0.00 60.65 56.76 2kmn s ILE 60 Cb -0.08 -2.41 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 2kmn s ILE 60 CO -0.00 -0.07 0.90 -0.67 -1.23 0.00 0.00 174.94 173.87 2kmn n ASP 61 N 0.26 0.06 -4.58 3.58 2.03 0.43 -0.95 116.55 117.38 2kmn n ASP 61 Ca -0.12 -1.81 -0.41 0.00 0.52 0.00 0.00 54.79 52.96 2kmn n ASP 61 Cb 0.55 -0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.07 4.96 0.00 5.18 1.01 -0.76 -4.77 120.40 125.95 2kmn s VAL 62 Ca 0.01 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2kmn s VAL 62 Cb 0.01 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2kmn s VAL 62 CO 0.00 -0.19 0.86 -1.54 0.00 0.00 0.00 175.10 174.24 2kmn n SER 63 N 5.85 -1.72 0.27 3.32 3.41 -1.26 -4.66 113.62 118.83 2kmn n SER 63 Ca -0.03 -1.18 0.15 0.00 -0.26 0.00 0.00 58.87 57.56 2kmn n SER 63 Cb 0.49 -0.47 0.68 0.00 -0.26 0.00 0.00 64.21 64.65 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 8.17 0.00 0.00 4.33 4.81 -1.92 -3.47 114.58 126.50 2kmn h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kmn h GLU 64 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2kmn h GLU 64 CO 0.86 0.07 0.00 -1.71 -0.73 0.00 0.00 179.01 177.51 2kmn n ASN 65 N -3.24 3.44 0.06 1.04 4.05 -1.26 -5.06 115.26 114.28 2kmn n ASN 65 Ca -0.00 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.94 2kmn n ASN 65 Cb 0.31 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.26 2kmn n ASN 65 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2kmn h ARG 66 N 0.00 -0.24 -6.10 1.20 3.08 -2.01 -3.42 114.38 106.89 2kmn h ARG 66 Ca 0.00 0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.49 2kmn h ARG 66 Cb 0.00 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2kmn h ARG 66 CO 0.00 0.08 0.80 -0.51 -1.07 0.00 0.00 179.97 179.27 2kmn s ASP 67 N -5.39 7.08 -1.19 7.04 1.11 -1.26 -4.96 116.67 119.09 2kmn s ASP 67 Ca -0.09 1.43 -0.10 0.00 0.18 0.00 0.00 52.55 53.96 2kmn s ASP 67 Cb 0.00 -2.54 0.21 0.00 1.07 0.00 0.00 42.92 41.66 2kmn s ASP 67 CO 0.34 -0.67 1.50 -0.62 1.18 0.00 0.00 175.17 176.89 2kmn n GLU 68 N 6.30 3.63 -3.30 8.23 1.02 -1.26 -4.60 120.64 130.67 2kmn n GLU 68 Ca 0.12 -3.99 -0.09 0.00 -0.02 0.00 0.00 57.16 53.18 2kmn n GLU 68 Cb 0.46 -2.84 -0.05 0.00 -0.02 0.00 0.00 31.44 28.99 2kmn n GLU 68 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2kmn s ARG 69 N 0.05 0.55 -0.07 3.49 3.52 -1.26 -4.82 118.95 120.40 2kmn s ARG 69 Ca 0.38 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.79 2kmn s ARG 69 Cb 0.00 -0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 2kmn s ARG 69 CO 0.00 -1.11 -0.08 -0.51 -0.81 0.00 0.00 175.30 172.79 2kmn s LEU 70 N 2.12 3.07 -0.02 -0.88 1.43 -0.12 -5.01 118.68 119.27 2kmn s LEU 70 Ca 0.13 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2kmn s LEU 70 Cb -0.12 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2kmn s LEU 70 CO -0.19 0.34 -0.05 0.54 0.23 0.00 0.00 176.35 177.22 2kmn s VAL 71 N -0.68 0.51 -0.00 -1.59 0.11 -1.26 0.94 120.40 118.43 2kmn s VAL 71 Ca 0.10 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2kmn s VAL 71 Cb -0.11 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2kmn s VAL 71 CO 0.02 0.18 0.01 -0.76 -3.33 0.00 0.00 175.10 171.22 2kmn s LEU 72 N 0.34 1.96 -0.05 2.54 2.01 0.55 -4.44 118.68 121.58 2kmn s LEU 72 Ca -0.04 -0.01 0.06 0.00 0.01 0.00 0.00 54.13 54.15 2kmn s LEU 72 Cb -0.08 0.06 -0.01 0.00 0.01 0.00 0.00 46.19 46.16 2kmn s LEU 72 CO -0.00 -0.03 -0.24 -0.63 1.01 0.00 0.00 176.35 176.46 2kmn s ILE 73 N -0.10 2.14 -1.45 -0.59 -1.09 0.60 -0.85 121.20 119.85 2kmn s ILE 73 Ca -0.01 -1.04 -0.12 0.00 -2.23 0.00 0.00 60.65 57.25 2kmn s ILE 73 Cb -0.01 -1.77 0.08 0.00 -1.58 0.00 0.00 42.46 39.18 2kmn s ILE 73 CO -0.00 0.57 0.72 0.59 -1.23 0.00 0.00 174.94 175.59 2kmn n ASN 74 N 2.86 -4.33 -4.65 3.58 5.03 0.23 -1.40 115.26 116.57 2kmn n ASN 74 Ca -0.17 -0.59 -0.40 0.00 0.87 0.00 0.00 54.58 54.28 2kmn n ASN 74 Cb 0.52 -3.52 0.02 0.00 -1.02 0.00 0.00 39.78 35.78 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 -4.18 1.50 -4.13 3.52 -0.02 -1.24 -4.68 135.00 125.78 2kmn n PRO 75 Ca 0.01 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 2kmn n PRO 75 Cb 0.54 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.27 0.52 0.17 -0.52 -1.05 0.24 -4.92 118.70 110.86 2kmn s GLU 76 Ca 0.65 -0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 2kmn s GLU 76 Cb -0.51 -0.40 -0.07 0.00 -0.44 0.00 0.00 34.13 32.71 2kmn s GLU 76 CO 0.55 0.09 0.90 -1.17 0.95 0.00 0.00 175.26 176.58 2kmn s LEU 77 N -0.93 4.57 -0.01 1.83 0.20 -1.26 -0.21 118.68 122.87 2kmn s LEU 77 Ca -0.04 1.80 -0.01 0.00 0.69 0.00 0.00 54.13 56.57 2kmn s LEU 77 Cb -0.06 -3.51 -0.01 0.00 -0.43 0.00 0.00 46.19 42.18 2kmn s LEU 77 CO 0.00 0.08 -0.02 0.18 -0.29 0.00 0.00 176.35 176.30 2kmn n LEU 78 N 2.07 0.18 -3.93 -0.68 7.99 0.93 -4.90 117.00 118.65 2kmn n LEU 78 Ca -0.01 0.03 -0.10 0.00 -0.01 0.00 0.00 56.01 55.91 2kmn n LEU 78 Cb 0.48 -0.07 -0.12 0.00 -0.11 0.00 0.00 43.42 43.61 2kmn n LEU 78 CO 0.49 -0.02 -0.34 -0.70 -1.51 0.00 0.00 177.39 175.31 2kmn s GLU 79 N -2.03 0.22 -0.05 3.23 2.56 -0.87 -4.93 118.70 116.83 2kmn s GLU 79 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.97 54.47 2kmn s GLU 79 Cb 0.01 0.08 0.02 0.00 2.00 0.00 0.00 34.13 36.24 2kmn s GLU 79 CO 0.03 -0.04 0.24 -1.59 -0.56 0.00 0.00 175.26 173.34 2kmn s LYS 80 N -0.94 0.46 0.09 4.30 0.00 -1.26 0.26 119.74 122.65 2kmn s LYS 80 Ca -0.10 -0.01 -0.25 0.00 0.00 0.00 0.00 55.97 55.62 2kmn s LYS 80 Cb -0.06 0.21 0.07 0.00 0.00 0.00 0.00 37.83 38.04 2kmn s LYS 80 CO -0.00 -0.10 0.60 0.45 0.00 0.00 0.00 175.35 176.29 2kmn s SER 81 N -0.71 -0.55 0.40 0.03 0.15 0.82 -4.97 113.70 108.88 2kmn s SER 81 Ca -0.08 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2kmn s SER 81 Cb -0.04 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2kmn s SER 81 CO 0.02 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2kmn n GLY 82 N 0.09 -3.15 2.81 9.45 0.00 -1.26 0.99 105.19 114.12 2kmn n GLY 82 Ca -0.18 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.90 1.01 0.27 1.61 2.02 -1.26 -0.04 118.70 118.42 2kmn s GLU 83 Ca 0.00 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 54.61 2kmn s GLU 83 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 2kmn s GLU 83 CO 0.00 -0.52 0.29 0.95 0.02 0.00 0.00 175.26 175.99 2kmn s THR 84 N 1.75 4.50 -0.18 3.63 -4.23 0.25 -4.81 115.64 116.55 2kmn s THR 84 Ca -0.00 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 2kmn s THR 84 Cb -0.16 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.26 2kmn s THR 84 CO -0.07 -0.30 0.35 -0.83 -0.54 0.00 0.00 174.62 173.23 2kmn s GLY 85 N -3.94 -0.26 -0.11 3.99 0.00 -1.26 -0.77 107.32 104.96 2kmn s GLY 85 Ca 0.36 1.17 -0.10 0.00 0.00 0.00 0.00 44.72 46.15 2kmn s GLY 85 CO 0.27 2.27 0.29 -0.42 0.00 0.00 0.00 173.10 175.52 2kmn s ILE 86 N 2.52 -0.00 0.26 0.90 1.01 -1.20 -4.89 121.20 119.80 2kmn s ILE 86 Ca 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2kmn s ILE 86 Cb -0.13 -0.42 -0.09 0.00 0.01 0.00 0.00 42.46 41.83 2kmn s ILE 86 CO -0.12 0.01 1.22 -1.61 0.00 0.00 0.00 174.94 174.44 2kmn s GLU 87 N 0.31 4.48 0.15 2.79 2.02 -1.26 -2.15 118.70 125.03 2kmn s GLU 87 Ca -0.01 1.99 -0.19 0.00 0.02 0.00 0.00 54.97 56.78 2kmn s GLU 87 Cb -0.03 -3.16 0.05 0.00 0.10 0.00 0.00 34.13 31.09 2kmn s GLU 87 CO -0.01 -0.06 0.49 -1.21 0.02 0.00 0.00 175.26 174.50 2kmn s GLU 88 N -1.07 1.18 0.34 1.61 2.02 -0.44 -4.82 118.70 117.52 2kmn s GLU 88 Ca 0.50 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.95 2kmn s GLU 88 Cb -0.35 0.52 -0.06 0.00 0.10 0.00 0.00 34.13 34.34 2kmn s GLU 88 CO 0.43 -0.49 -0.09 0.20 0.02 0.00 0.00 175.26 175.33 2kmn s GLY 89 N -2.79 2.16 -0.03 -1.39 0.00 -1.26 -0.24 107.32 103.78 2kmn s GLY 89 Ca 0.03 -2.08 0.05 0.00 0.00 0.00 0.00 44.72 42.72 2kmn s GLY 89 CO -0.12 -2.02 -0.18 0.00 0.00 0.00 0.00 173.10 170.79 2kmn h LEU 91 N 5.25 0.00 0.19 0.00 -0.00 -1.93 0.68 115.31 119.52 2kmn h LEU 91 Ca -0.46 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.11 2kmn h LEU 91 Cb 1.14 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.83 2kmn h LEU 91 CO 0.49 0.00 -1.37 0.28 -0.00 0.00 0.00 178.44 177.84 2kmn h SER 92 N 0.00 0.70 -3.71 -0.43 0.02 -1.91 -3.45 113.55 104.77 2kmn h SER 92 Ca 0.38 -0.74 -0.50 0.00 -0.84 0.00 0.00 61.79 60.10 2kmn h SER 92 Cb 1.96 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.25 2kmn h SER 92 CO -0.00 1.57 0.08 -0.63 -1.14 0.00 0.00 176.83 176.71 2kmn s ILE 93 N -2.66 4.69 0.00 3.27 1.01 0.24 -1.12 121.20 126.64 2kmn s ILE 93 Ca -0.07 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 2kmn s ILE 93 Cb 0.05 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.78 2kmn s ILE 93 CO 0.92 -0.18 2.12 -0.81 0.00 0.00 0.00 174.94 177.00 2kmn n PRO 94 N -0.35 1.05 -1.18 2.79 -0.04 -1.26 -4.40 135.00 131.60 2kmn n PRO 94 Ca 0.03 -0.50 -0.06 0.00 -0.04 0.00 0.00 63.50 62.93 2kmn n PRO 94 Cb 0.53 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 2.64 -0.42 -2.50 0.54 4.71 -1.26 -4.95 120.64 119.40 2kmn n GLU 95 Ca 0.22 0.71 -0.39 0.00 -0.01 0.00 0.00 57.16 57.68 2kmn n GLU 95 Cb 0.49 -4.47 -0.03 0.00 -1.01 0.00 0.00 31.44 26.41 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 -2.53 3.50 -0.00 3.49 -0.21 -1.26 -4.80 119.66 117.85 2kmn s GLN 96 Ca 0.00 -1.12 -0.24 0.00 0.02 0.00 0.00 55.36 54.01 2kmn s GLN 96 Cb 0.00 -5.34 -0.05 0.00 1.00 0.00 0.00 33.01 28.62 2kmn s GLN 96 CO 0.00 -2.37 0.75 1.03 -2.12 0.00 0.00 175.29 172.58 2kmn s ARG 97 N 5.14 4.47 0.07 2.91 0.52 -1.25 -4.49 118.95 126.33 2kmn s ARG 97 Ca 0.50 1.00 0.03 0.00 -0.52 0.00 0.00 55.73 56.74 2kmn s ARG 97 Cb -0.00 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2kmn s ARG 97 CO -0.07 0.18 -0.09 0.00 0.02 0.00 0.00 175.30 175.34 2kmn s ALA 98 N 0.34 0.91 -0.36 2.13 0.00 0.67 -4.63 121.76 120.82 2kmn s ALA 98 Ca 0.39 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 2kmn s ALA 98 Cb -0.19 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2kmn s ALA 98 CO 0.21 -0.03 1.34 -1.17 0.00 0.00 0.00 175.76 176.11 2kmn s LEU 99 N -2.12 3.75 -0.20 0.00 0.20 -1.26 -1.33 118.68 117.72 2kmn s LEU 99 Ca -0.00 1.01 -0.11 0.00 0.69 0.00 0.00 54.13 55.71 2kmn s LEU 99 Cb -0.05 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.12 2kmn s LEU 99 CO -0.00 -1.24 0.20 -0.69 -0.29 0.00 0.00 176.35 174.33 2kmn s VAL 100 N 4.82 5.36 -0.12 1.68 1.01 -0.92 -4.76 120.40 127.48 2kmn s VAL 100 Ca 0.58 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 2kmn s VAL 100 Cb -0.15 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2kmn s VAL 100 CO 0.28 0.40 0.86 -2.16 0.00 0.00 0.00 175.10 174.48 2kmn s PRO 101 N 0.56 4.37 0.18 2.72 0.05 -1.26 -3.25 135.00 138.38 2kmn s PRO 101 Ca 0.11 1.11 -0.07 0.00 0.05 0.00 0.00 61.00 62.20 2kmn s PRO 101 Cb -0.12 -3.54 -0.02 0.00 0.05 0.00 0.00 34.50 30.88 2kmn s PRO 101 CO 0.01 -0.23 0.26 -0.98 0.05 0.00 0.00 177.00 176.11 2kmn s ARG 102 N 1.79 1.21 0.68 4.56 3.03 0.05 -4.99 118.95 125.28 2kmn s ARG 102 Ca 0.42 -1.32 -0.15 0.00 2.03 0.00 0.00 55.73 56.71 2kmn s ARG 102 Cb -0.18 0.36 0.01 0.00 -1.03 0.00 0.00 34.95 34.11 2kmn s ARG 102 CO 0.16 -0.44 1.12 0.00 -1.13 0.00 0.00 175.30 175.01 2kmn s ALA 103 N -4.03 2.40 0.11 7.88 0.00 -1.25 0.86 121.76 127.73 2kmn s ALA 103 Ca 0.24 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 2kmn s ALA 103 Cb 0.04 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2kmn s ALA 103 CO 0.04 -1.40 1.33 0.93 0.00 0.00 0.00 175.76 176.67 2kmn h GLU 104 N -0.09 0.82 -3.78 0.00 5.08 0.44 -3.40 114.58 113.64 2kmn h GLU 104 Ca -0.47 -0.63 -0.23 0.00 -1.00 0.00 0.00 59.36 57.03 2kmn h GLU 104 Cb 1.25 0.12 -0.28 0.00 0.50 0.00 0.00 28.75 30.34 2kmn h GLU 104 CO 0.53 1.24 -0.72 0.15 -1.00 0.00 0.00 179.01 179.21 2kmn s LYS 105 N -3.85 0.05 -0.13 2.33 1.02 -0.32 -1.15 119.74 117.68 2kmn s LYS 105 Ca -0.10 -0.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 2kmn s LYS 105 Cb 0.09 -0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2kmn s LYS 105 CO 0.90 0.00 0.35 0.14 -0.92 0.00 0.00 175.35 175.83 2kmn s VAL 106 N -0.09 0.00 -0.18 3.17 -7.23 0.28 -0.12 120.40 116.23 2kmn s VAL 106 Ca -0.01 -0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.11 2kmn s VAL 106 Cb -0.01 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.41 2kmn s VAL 106 CO -0.00 -0.00 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.24 2kmn s LYS 107 N 0.18 3.69 0.06 4.82 3.01 0.14 0.59 119.74 132.23 2kmn s LYS 107 Ca -0.00 -0.50 0.04 0.00 -1.01 0.00 0.00 55.97 54.50 2kmn s LYS 107 Cb -0.02 -3.02 -0.03 0.00 -1.01 0.00 0.00 37.83 33.74 2kmn s LYS 107 CO 0.00 0.15 -0.11 0.96 0.51 0.00 0.00 175.35 176.86 2kmn s ILE 108 N 0.63 0.86 -0.13 2.17 -5.25 0.70 -0.05 121.20 120.13 2kmn s ILE 108 Ca -0.01 -1.22 -0.06 0.00 -0.99 0.00 0.00 60.65 58.37 2kmn s ILE 108 Cb -0.14 -0.88 -0.04 0.00 2.95 0.00 0.00 42.46 44.35 2kmn s ILE 108 CO 0.02 -0.30 0.09 -0.13 -1.79 0.00 0.00 174.94 172.83 2kmn s ARG 109 N -1.70 3.47 0.25 0.37 0.52 0.71 -0.88 118.95 121.69 2kmn s ARG 109 Ca -0.05 -0.23 -0.22 0.00 -0.52 0.00 0.00 55.73 54.70 2kmn s ARG 109 Cb -0.10 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2kmn s ARG 109 CO 0.01 0.65 0.77 0.00 0.02 0.00 0.00 175.30 176.76 2kmn s ALA 110 N -0.67 -1.33 0.11 2.13 0.00 0.37 0.79 121.76 123.16 2kmn s ALA 110 Ca 0.12 -0.18 0.10 0.00 0.00 0.00 0.00 51.96 52.00 2kmn s ALA 110 Cb -0.12 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 2kmn s ALA 110 CO 0.02 -1.03 -0.25 -0.48 0.00 0.00 0.00 175.76 174.02 2kmn s LEU 111 N -2.92 2.36 0.73 0.00 0.05 -0.50 0.22 118.68 118.64 2kmn s LEU 111 Ca 0.11 -0.69 -0.10 0.00 0.05 0.00 0.00 54.13 53.50 2kmn s LEU 111 Cb -0.05 -1.28 0.05 0.00 -2.05 0.00 0.00 46.19 42.86 2kmn s LEU 111 CO 0.05 0.19 1.09 -0.62 -0.55 0.00 0.00 176.35 176.52 2kmn s ASP 112 N -1.95 4.96 0.63 1.48 -1.08 -0.93 0.22 116.67 120.01 2kmn s ASP 112 Ca 0.14 0.81 0.26 0.00 -0.52 0.00 0.00 52.55 53.24 2kmn s ASP 112 Cb -0.10 -1.48 1.32 0.00 -1.46 0.00 0.00 42.92 41.20 2kmn s ASP 112 CO 0.06 -1.59 1.75 -0.09 0.52 0.00 0.00 175.17 175.82 2kmn h ARG 113 N -0.75 0.00 0.00 4.34 2.43 -1.92 0.59 114.38 119.07 2kmn h ARG 113 Ca -0.45 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 2kmn h ARG 113 Cb 1.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2kmn h ARG 113 CO 0.64 0.00 -0.49 -0.44 -1.51 0.00 0.00 179.97 178.16 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.97 -3.46 116.42 110.52 2kmn h ASP 114 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2kmn h ASP 114 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2kmn h ASP 114 CO -0.00 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 2kmn n GLY 115 N 1.15 1.21 2.84 2.75 0.00 0.21 -5.08 105.19 108.26 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 -0.16 1.05 -0.25 1.61 1.02 -1.25 -4.89 119.74 116.87 2kmn s LYS 116 Ca 0.00 -1.18 -0.29 0.00 0.02 0.00 0.00 55.97 54.52 2kmn s LYS 116 Cb 0.00 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2kmn s LYS 116 CO 0.00 -0.87 1.52 -2.14 -0.92 0.00 0.00 175.35 172.94 2kmn s PRO 117 N 1.44 3.83 0.21 -1.68 0.02 -1.26 -2.19 135.00 135.37 2kmn s PRO 117 Ca 0.06 1.53 0.07 0.00 0.02 0.00 0.00 61.00 62.68 2kmn s PRO 117 Cb -0.18 -3.99 -0.05 0.00 0.02 0.00 0.00 34.50 30.30 2kmn s PRO 117 CO -0.16 -1.25 -0.13 -0.59 -0.33 0.00 0.00 177.00 174.54 2kmn s PHE 118 N 4.97 1.70 -0.16 6.54 -0.12 0.61 -4.87 117.98 126.64 2kmn s PHE 118 Ca 0.67 -0.61 -0.05 0.00 -0.05 0.00 0.00 56.93 56.89 2kmn s PHE 118 Cb -0.22 -0.82 -0.03 0.00 -0.63 0.00 0.00 43.02 41.31 2kmn s PHE 118 CO 0.27 0.32 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.54 2kmn s GLU 119 N -3.67 3.71 0.00 1.99 2.02 -1.26 -0.48 118.70 121.01 2kmn s GLU 119 Ca 0.23 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.79 2kmn s GLU 119 Cb 0.00 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 2kmn s GLU 119 CO 0.07 0.29 -0.11 -0.48 0.02 0.00 0.00 175.26 175.04 2kmn s LEU 120 N 0.27 2.06 -0.22 1.80 2.34 -0.05 -4.99 118.68 119.89 2kmn s LEU 120 Ca -0.01 -0.26 -0.13 0.00 0.06 0.00 0.00 54.13 53.79 2kmn s LEU 120 Cb -0.13 -0.54 -0.04 0.00 -0.56 0.00 0.00 46.19 44.91 2kmn s LEU 120 CO 0.02 0.10 0.28 -1.83 -1.06 0.00 0.00 176.35 173.85 2kmn s GLU 121 N -0.49 4.13 -0.08 1.48 -1.05 -1.26 -0.21 118.70 121.22 2kmn s GLU 121 Ca 0.03 -0.03 0.03 0.00 -0.15 0.00 0.00 54.97 54.85 2kmn s GLU 121 Cb -0.05 -3.53 -0.02 0.00 -0.44 0.00 0.00 34.13 30.09 2kmn s GLU 121 CO -0.00 0.03 -0.15 0.00 0.95 0.00 0.00 175.26 176.08 2kmn s ALA 122 N 1.13 2.57 0.21 -0.84 0.00 0.20 -4.94 121.76 120.10 2kmn s ALA 122 Ca 0.13 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2kmn s ALA 122 Cb -0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2kmn s ALA 122 CO 0.06 0.42 -0.13 -0.51 0.00 0.00 0.00 175.76 175.60 2kmn s ASP 123 N -0.23 2.56 0.66 0.00 1.01 -1.26 0.10 116.67 119.51 2kmn s ASP 123 Ca 0.00 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.22 2kmn s ASP 123 Cb -0.13 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.66 2kmn s ASP 123 CO 0.03 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.82 2kmn n GLY 124 N -0.40 2.38 0.39 0.21 0.00 -0.30 -1.34 105.19 106.13 2kmn n GLY 124 Ca -0.08 -0.30 0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 0.26 0.10 0.99 4.07 -1.98 0.40 115.31 119.15 2kmn h LEU 125 Ca 0.00 0.02 -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 0.13 -0.05 0.25 -1.08 0.00 0.00 178.44 177.69 2kmn h LEU 126 N 0.27 -0.12 -0.79 1.67 5.85 -1.59 -2.09 115.31 118.52 2kmn h LEU 126 Ca 0.37 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2kmn h LEU 126 Cb 1.06 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2kmn h LEU 126 CO -0.09 0.40 0.50 0.00 -0.34 0.00 0.00 178.44 178.91 2kmn h ALA 127 N 0.11 1.04 0.29 1.25 0.00 -0.08 -1.98 119.26 119.89 2kmn h ALA 127 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kmn h ALA 127 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kmn h ALA 127 CO 0.02 0.31 -0.14 0.82 0.00 0.00 0.00 179.25 180.26 2kmn h ILE 128 N 0.97 0.70 -0.07 0.00 1.08 -0.30 -2.18 117.51 117.72 2kmn h ILE 128 Ca 0.32 -0.68 0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2kmn h ILE 128 Cb 0.02 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2kmn h ILE 128 CO -0.12 0.13 -0.03 0.00 -0.69 0.00 0.00 178.15 177.44 2kmn h ILE 130 N -0.03 1.13 -0.45 0.00 2.10 -1.46 0.96 117.51 119.76 2kmn h ILE 130 Ca 0.04 -0.27 -0.13 0.00 1.08 0.00 0.00 64.86 65.58 2kmn h ILE 130 Cb 0.08 0.28 -0.01 0.00 -1.09 0.00 0.00 36.82 36.08 2kmn h ILE 130 CO -0.09 0.14 -0.25 0.06 -1.08 0.00 0.00 178.15 176.94 2kmn h GLN 131 N 0.78 0.94 -0.30 2.19 3.07 -1.13 -2.26 115.11 118.40 2kmn h GLN 131 Ca 0.22 -0.42 0.01 0.00 0.09 0.00 0.00 58.65 58.56 2kmn h GLN 131 Cb -0.06 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.46 2kmn h GLN 131 CO -0.06 1.08 0.18 1.25 0.09 0.00 0.00 178.83 181.36 2kmn h HIS 132 N 0.81 0.34 -0.97 0.06 2.76 0.20 -2.02 115.15 116.33 2kmn h HIS 132 Ca 0.10 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.82 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.62 2kmn h HIS 132 CO 0.05 0.20 0.64 0.93 -1.30 0.00 0.00 177.93 178.45 2kmn h GLU 133 N 0.37 1.25 -0.33 5.26 4.39 -0.71 0.25 114.58 125.05 2kmn h GLU 133 Ca 0.12 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2kmn h GLU 133 Cb -0.01 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.32 2kmn h GLU 133 CO -0.05 0.83 0.13 0.52 -1.16 0.00 0.00 179.01 179.28 2kmn h MET 134 N 1.29 0.27 -0.23 2.33 2.86 -0.86 0.33 114.93 120.92 2kmn h MET 134 Ca 0.36 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 2kmn h MET 134 Cb -0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2kmn h MET 134 CO -0.09 0.18 0.09 -0.44 1.06 0.00 0.00 176.91 177.71 2kmn h ASP 135 N 0.28 0.32 0.25 1.22 5.19 -0.69 -2.30 116.42 120.69 2kmn h ASP 135 Ca 0.15 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 2kmn h ASP 135 Cb 0.10 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 2kmn h ASP 135 CO -0.14 0.40 -0.16 -0.74 -3.12 0.00 0.00 179.24 175.49 2kmn h HIS 136 N 0.21 -0.41 -0.29 4.55 2.76 0.04 0.45 115.15 122.47 2kmn h HIS 136 Ca 0.08 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2kmn h HIS 136 Cb 0.19 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 2kmn h HIS 136 CO -0.01 -0.25 0.20 1.37 -1.30 0.00 0.00 177.93 177.94 2kmn h LEU 137 N -0.39 0.19 -2.14 0.26 8.10 -0.35 0.38 115.31 121.35 2kmn h LEU 137 Ca -0.02 -0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.90 2kmn h LEU 137 Cb 0.33 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 40.47 2kmn h LEU 137 CO 0.02 0.13 0.08 0.55 -4.11 0.00 0.00 178.44 175.11 2kmn n VAL 138 N -4.49 1.21 -3.15 0.15 3.14 -0.87 -0.67 118.33 113.65 2kmn n VAL 138 Ca 0.03 -0.52 -0.22 0.00 -2.96 0.00 0.00 64.34 60.67 2kmn n VAL 138 Cb 0.20 -0.58 0.01 0.00 -1.06 0.00 0.00 33.84 32.41 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 0.11 -0.50 2.74 7.55 0.00 0.13 -4.02 105.19 111.20 2kmn n GLY 139 Ca 0.13 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.81 0.73 0.13 1.61 -2.85 0.16 -4.39 119.74 109.33 2kmn s LYS 140 Ca 0.33 -0.71 0.10 0.00 -1.00 0.00 0.00 55.97 54.69 2kmn s LYS 140 Cb -0.16 -2.06 -0.04 0.00 -2.06 0.00 0.00 37.83 33.51 2kmn s LYS 140 CO 0.41 -0.78 -0.23 -0.51 0.10 0.00 0.00 175.35 174.34 2kmn s LEU 141 N 1.75 2.34 0.48 2.77 2.01 -1.26 -2.92 118.68 123.85 2kmn s LEU 141 Ca 0.03 -0.76 0.21 0.00 0.01 0.00 0.00 54.13 53.62 2kmn s LEU 141 Cb -0.17 -1.02 1.19 0.00 0.01 0.00 0.00 46.19 46.21 2kmn s LEU 141 CO -0.16 0.09 2.01 -0.26 1.01 0.00 0.00 176.35 179.05 2kmn h PHE 142 N 3.77 0.00 -0.06 0.29 -1.00 -1.96 -1.94 116.94 116.05 2kmn h PHE 142 Ca -0.47 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.33 2kmn h PHE 142 Cb 1.18 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 2kmn h PHE 142 CO 0.63 0.17 0.07 1.98 -1.61 0.00 0.00 178.31 179.56 2kmn h MET 143 N 0.00 0.00 -0.29 1.51 4.05 -1.96 -1.75 114.93 116.49 2kmn h MET 143 Ca -0.00 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 2kmn h MET 143 Cb 0.37 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2kmn h MET 143 CO 0.02 0.00 0.32 -0.44 0.23 0.00 0.00 176.91 177.05 2kmn h ASP 144 N 0.00 0.00 -0.45 1.39 5.19 -1.77 -1.98 116.42 118.80 2kmn h ASP 144 Ca 0.03 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.10 2kmn h ASP 144 Cb 0.17 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 39.39 2kmn h ASP 144 CO -0.00 0.00 -0.75 0.00 -3.12 0.00 0.00 179.24 175.37 2kmn n TYR 145 N -3.75 1.64 -3.10 4.55 9.36 -0.66 -5.06 117.16 120.15 2kmn n TYR 145 Ca 0.04 -1.91 -0.36 0.00 3.32 0.00 0.00 57.90 58.99 2kmn n TYR 145 Cb 0.47 -0.29 -0.06 0.00 -0.63 0.00 0.00 39.34 38.83 2kmn n TYR 145 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kmn s LEU 146 N -3.34 4.36 0.00 2.98 2.01 -0.75 -5.14 118.68 118.80 2kmn s LEU 146 Ca 0.44 1.43 0.00 0.00 0.01 0.00 0.00 54.13 56.01 2kmn s LEU 146 Cb 0.39 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 43.02 2kmn s LEU 146 CO -0.01 0.04 0.00 -0.24 1.01 0.00 0.00 176.35 177.15