#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 4.54 0.00 2.46 -7.23 -1.26 -4.26 120.40 114.65 2kmn s VAL 2 Ca 0.00 1.69 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 2kmn s VAL 2 Cb 0.00 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.80 2kmn s VAL 2 CO 0.00 0.44 0.00 0.00 -0.31 0.00 0.00 175.10 175.23 2kmn n LEU 3 N 2.20 0.00 -4.19 1.32 -0.00 -1.26 -4.97 117.00 110.09 2kmn n LEU 3 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.61 2kmn n LEU 3 Cb 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.79 2kmn n LEU 3 CO 0.47 0.00 -0.26 -1.58 -0.00 0.00 0.00 177.39 176.02 2kmn s GLN 4 N 0.00 2.38 -0.15 1.47 2.00 -1.26 -5.08 119.66 119.02 2kmn s GLN 4 Ca 0.00 -1.41 -0.21 0.00 -2.00 0.00 0.00 55.36 51.74 2kmn s GLN 4 Cb 0.00 -3.42 -0.03 0.00 0.80 0.00 0.00 33.01 30.36 2kmn s GLN 4 CO 0.00 -0.78 0.61 0.08 -0.50 0.00 0.00 175.29 174.70 2kmn s VAL 5 N 1.28 5.06 0.21 1.34 1.01 -1.26 -2.87 120.40 125.17 2kmn s VAL 5 Ca 0.00 1.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 2kmn s VAL 5 Cb -0.21 -3.94 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2kmn s VAL 5 CO -0.01 0.19 0.80 -0.76 0.00 0.00 0.00 175.10 175.32 2kmn s LEU 6 N 1.40 4.49 0.03 3.92 1.43 0.15 -4.93 118.68 125.17 2kmn s LEU 6 Ca 0.30 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 2kmn s LEU 6 Cb -0.16 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2kmn s LEU 6 CO 0.12 0.11 -0.08 -1.00 0.23 0.00 0.00 176.35 175.73 2kmn s HIS 7 N -1.33 2.85 0.51 0.29 3.76 -1.26 -4.14 115.29 115.96 2kmn s HIS 7 Ca 0.41 -0.07 -0.23 0.00 -0.15 0.00 0.00 55.06 55.02 2kmn s HIS 7 Cb -0.21 -1.57 -0.07 0.00 1.11 0.00 0.00 32.58 31.85 2kmn s HIS 7 CO 0.25 0.38 1.26 -0.89 -0.85 0.00 0.00 174.74 174.88 2kmn n ILE 8 N 1.37 3.32 -1.65 0.60 2.08 -1.20 -0.61 119.36 123.26 2kmn n ILE 8 Ca -0.15 -0.50 -0.31 0.00 0.56 0.00 0.00 62.75 62.35 2kmn n ILE 8 Cb 0.52 -1.54 -0.04 0.00 -0.75 0.00 0.00 39.64 37.84 2kmn n ILE 8 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kmn n PRO 9 N -0.61 2.85 -1.64 0.38 -0.04 -1.26 -4.95 135.00 129.73 2kmn n PRO 9 Ca 0.10 -2.73 -0.46 0.00 -0.04 0.00 0.00 63.50 60.37 2kmn n PRO 9 Cb 0.43 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2kmn n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kmn n ASP 10 N 0.78 2.30 -0.19 3.54 -0.08 0.22 -4.88 116.55 118.23 2kmn n ASP 10 Ca 0.51 1.14 -0.05 0.00 -1.51 0.00 0.00 54.79 54.89 2kmn n ASP 10 Cb 0.46 -1.36 0.05 0.00 2.34 0.00 0.00 41.12 42.61 2kmn n ASP 10 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2kmn h GLU 11 N 3.95 0.65 -0.05 -0.67 4.11 -1.97 -2.24 114.58 118.37 2kmn h GLU 11 Ca -0.44 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 58.96 2kmn h GLU 11 Cb 1.30 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kmn h GLU 11 CO 0.74 0.43 0.06 0.00 0.07 0.00 0.00 179.01 180.31 2kmn h ARG 12 N 0.67 0.00 -0.01 1.06 3.08 -1.90 0.32 114.38 117.60 2kmn h ARG 12 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.08 2kmn h ARG 12 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2kmn h ARG 12 CO -0.10 0.00 -0.84 -0.07 -1.07 0.00 0.00 179.97 177.89 2kmn h LEU 13 N 0.00 0.29 -1.57 3.04 3.38 -1.58 -2.46 115.31 116.40 2kmn h LEU 13 Ca 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2kmn h LEU 13 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kmn h LEU 13 CO -0.00 1.00 0.00 0.54 0.09 0.00 0.00 178.44 180.07 2kmn n ARG 14 N -3.70 2.00 -3.36 1.13 5.12 0.03 -3.81 116.66 114.07 2kmn n ARG 14 Ca -0.04 -1.54 -0.33 0.00 -1.93 0.00 0.00 57.85 54.02 2kmn n ARG 14 Cb 0.78 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.65 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 -1.51 3.87 -0.11 5.56 2.20 0.92 -4.27 119.74 126.40 2kmn s LYS 15 Ca 0.31 0.39 -0.26 0.00 -0.36 0.00 0.00 55.97 56.05 2kmn s LYS 15 Cb 0.17 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.80 2kmn s LYS 15 CO 0.23 0.32 0.85 0.08 -0.36 0.00 0.00 175.35 176.47 2kmn s VAL 16 N -1.77 4.90 0.32 4.02 1.01 -1.26 0.16 120.40 127.79 2kmn s VAL 16 Ca 0.47 1.71 -0.19 0.00 0.00 0.00 0.00 61.98 63.96 2kmn s VAL 16 Cb -0.12 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2kmn s VAL 16 CO 0.20 0.09 0.82 0.00 0.00 0.00 0.00 175.10 176.21 2kmn s ALA 17 N 1.66 3.26 -0.13 5.51 0.00 -0.02 -4.81 121.76 127.23 2kmn s ALA 17 Ca 0.41 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 2kmn s ALA 17 Cb -0.18 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2kmn s ALA 17 CO 0.17 0.26 -0.07 0.21 0.00 0.00 0.00 175.76 176.33 2kmn s LYS 18 N -2.64 3.40 -0.29 0.00 2.36 -1.24 -4.41 119.74 116.91 2kmn s LYS 18 Ca 0.53 -0.56 -0.29 0.00 -2.55 0.00 0.00 55.97 53.09 2kmn s LYS 18 Cb -0.13 -2.78 0.01 0.00 -1.05 0.00 0.00 37.83 33.88 2kmn s LYS 18 CO 0.18 0.34 1.20 -1.25 1.55 0.00 0.00 175.35 177.36 2kmn s PRO 19 N 0.08 4.01 0.44 4.03 0.04 -1.26 -1.45 135.00 140.90 2kmn s PRO 19 Ca -0.02 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.99 2kmn s PRO 19 Cb -0.14 -3.80 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2kmn s PRO 19 CO 0.03 -0.98 1.22 0.08 0.04 0.00 0.00 177.00 177.39 2kmn s VAL 20 N 3.96 2.89 0.45 -0.36 1.01 -1.26 -4.93 120.40 122.17 2kmn s VAL 20 Ca 0.51 0.72 0.16 0.00 0.00 0.00 0.00 61.98 63.37 2kmn s VAL 20 Cb -0.15 -3.39 0.20 0.00 0.00 0.00 0.00 36.38 33.04 2kmn s VAL 20 CO 0.19 0.04 2.00 -0.33 0.00 0.00 0.00 175.10 177.00 2kmn h GLU 21 N 2.27 0.00 -2.27 2.72 5.08 -2.04 -3.45 114.58 116.90 2kmn h GLU 21 Ca -0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 2kmn h GLU 21 Cb 1.25 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.29 2kmn h GLU 21 CO 0.61 0.18 0.03 -2.00 -1.00 0.00 0.00 179.01 176.83 2kmn s GLU 22 N -4.59 0.84 -0.60 2.33 2.12 -1.26 -5.12 118.70 112.42 2kmn s GLU 22 Ca -0.04 0.49 -0.28 0.00 0.36 0.00 0.00 54.97 55.50 2kmn s GLU 22 Cb 0.15 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.68 -0.19 1.24 0.08 -0.54 0.00 0.00 175.26 176.54 2kmn s VAL 23 N -0.46 3.94 0.36 3.70 1.01 -1.26 -5.01 120.40 122.67 2kmn s VAL 23 Ca -0.06 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2kmn s VAL 23 Cb -0.03 -4.71 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 2kmn s VAL 23 CO 0.05 -1.38 0.72 0.20 0.00 0.00 0.00 175.10 174.68 2kmn s ASN 24 N 3.29 6.59 0.53 3.32 0.02 -1.26 -4.88 114.94 122.55 2kmn s ASN 24 Ca 0.43 1.11 0.25 0.00 -1.02 0.00 0.00 52.86 53.64 2kmn s ASN 24 Cb -0.08 -2.31 1.38 0.00 0.02 0.00 0.00 41.25 40.26 2kmn s ASN 24 CO 0.24 -0.30 1.99 0.00 0.02 0.00 0.00 177.10 179.05 2kmn h ALA 25 N 1.67 2.49 -0.15 0.60 0.00 -1.98 1.01 119.26 122.90 2kmn h ALA 25 Ca -0.47 -0.02 -0.20 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 19.01 2kmn h ALA 25 CO 0.65 -0.65 -0.70 0.93 0.00 0.00 0.00 179.25 179.48 2kmn h GLU 26 N 0.02 0.63 -0.36 0.00 5.08 -2.00 -2.07 114.58 115.89 2kmn h GLU 26 Ca 0.26 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2kmn h GLU 26 Cb 1.02 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2kmn h GLU 26 CO -0.01 1.10 -0.18 0.82 -1.00 0.00 0.00 179.01 179.74 2kmn h ILE 27 N 0.45 1.26 -0.46 3.13 2.04 0.35 -2.14 117.51 122.14 2kmn h ILE 27 Ca -0.03 -1.23 -0.13 0.00 1.00 0.00 0.00 64.86 64.47 2kmn h ILE 27 Cb 1.29 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2kmn h ILE 27 CO 0.13 0.41 -0.24 1.56 0.00 0.00 0.00 178.15 180.01 2kmn h GLN 28 N 0.60 0.95 -0.66 2.37 4.20 0.35 -2.51 115.11 120.41 2kmn h GLN 28 Ca 0.09 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 2kmn h GLN 28 Cb 0.64 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2kmn h GLN 28 CO 0.05 1.08 0.18 0.00 -0.67 0.00 0.00 178.83 179.47 2kmn h ARG 29 N 0.82 1.04 -0.28 1.46 2.47 -1.17 -0.54 114.38 118.18 2kmn h ARG 29 Ca 0.10 -0.23 0.05 0.00 -1.26 0.00 0.00 59.98 58.64 2kmn h ARG 29 Cb 0.81 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 2kmn h ARG 29 CO 0.07 0.91 0.00 0.82 0.56 0.00 0.00 179.97 182.33 2kmn h ILE 30 N 0.99 0.80 -0.55 2.04 2.04 -1.11 -1.70 117.51 120.02 2kmn h ILE 30 Ca 0.21 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.95 2kmn h ILE 30 Cb 0.32 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2kmn h ILE 30 CO -0.00 0.02 -0.01 0.58 0.00 0.00 0.00 178.15 178.73 2kmn h VAL 31 N 0.09 1.27 -0.57 1.67 2.07 -1.15 -1.33 116.25 118.29 2kmn h VAL 31 Ca 0.13 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.61 2kmn h VAL 31 Cb 0.17 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 2kmn h VAL 31 CO -0.22 0.40 0.19 0.44 0.02 0.00 0.00 177.57 178.40 2kmn h ASP 32 N 0.86 0.16 0.72 0.57 3.32 -0.52 -0.09 116.42 121.43 2kmn h ASP 32 Ca 0.15 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 2kmn h ASP 32 Cb 0.55 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2kmn h ASP 32 CO 0.03 0.10 -0.73 0.44 -1.72 0.00 0.00 179.24 177.36 2kmn h ASP 33 N 0.35 0.01 -0.37 6.45 5.19 -1.28 -2.63 116.42 124.14 2kmn h ASP 33 Ca 0.29 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2kmn h ASP 33 Cb 0.36 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2kmn h ASP 33 CO -0.31 0.74 0.24 0.24 -3.12 0.00 0.00 179.24 177.03 2kmn h MET 34 N 0.01 0.49 -0.20 3.56 2.86 0.16 0.91 114.93 122.70 2kmn h MET 34 Ca -0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.29 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 2kmn h MET 34 CO 0.10 0.33 -0.20 0.27 1.06 0.00 0.00 176.91 178.47 2kmn h PHE 35 N 0.49 0.60 -0.98 -0.22 -5.15 -1.39 0.48 116.94 110.76 2kmn h PHE 35 Ca 0.13 -0.18 0.15 0.00 -0.20 0.00 0.00 57.97 57.87 2kmn h PHE 35 Cb -0.04 -0.13 -0.09 0.00 0.22 0.00 0.00 35.95 35.91 2kmn h PHE 35 CO -0.05 0.85 0.62 0.93 -2.00 0.00 0.00 178.31 178.66 2kmn h GLU 36 N 0.17 0.82 0.46 6.09 4.39 -1.05 0.17 114.58 125.64 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 0.75 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2kmn h GLU 36 CO 0.05 0.54 -0.22 1.15 -1.16 0.00 0.00 179.01 179.37 2kmn h THR 37 N 0.84 0.00 -0.97 1.13 2.02 0.10 -2.07 112.91 113.97 2kmn h THR 37 Ca 0.51 -0.50 0.27 0.00 0.77 0.00 0.00 66.41 67.46 2kmn h THR 37 Cb 0.69 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.97 2kmn h THR 37 CO -0.29 0.00 0.51 -0.03 0.37 0.00 0.00 175.52 176.08 2kmn h MET 38 N -1.13 0.40 -0.28 6.66 1.85 0.01 1.44 114.93 123.88 2kmn h MET 38 Ca -0.06 -0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 58.87 2kmn h MET 38 Cb 0.48 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.41 2kmn h MET 38 CO 0.10 0.27 -0.35 1.88 -0.40 0.00 0.00 176.91 178.41 2kmn h TYR 39 N 0.42 0.90 0.00 1.39 -1.99 -0.79 0.61 116.97 117.50 2kmn h TYR 39 Ca 0.65 -0.29 -0.01 0.00 2.00 0.00 0.00 58.73 61.09 2kmn h TYR 39 Cb 1.34 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.89 2kmn h TYR 39 CO -0.06 1.06 -0.03 0.00 -0.00 0.00 0.00 178.16 179.13 2kmn h ALA 40 N 0.69 1.44 0.00 3.88 0.00 0.24 1.11 119.26 126.62 2kmn h ALA 40 Ca 0.04 -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 18.72 2kmn h ALA 40 CO 0.08 0.03 -0.50 -1.91 0.00 0.00 0.00 179.25 176.96 2kmn n GLU 41 N -3.76 0.07 -2.04 0.00 4.07 0.21 -4.91 120.64 114.28 2kmn n GLU 41 Ca -0.03 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.92 2kmn n GLU 41 Cb 0.11 -1.54 -0.03 0.00 -0.06 0.00 0.00 31.44 29.92 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 -1.65 -1.28 -2.82 5.31 1.02 0.38 -4.97 120.64 116.64 2kmn n GLU 42 Ca 0.05 0.90 -0.38 0.00 -0.02 0.00 0.00 57.16 57.71 2kmn n GLU 42 Cb 0.36 -5.26 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 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 -2.44 2.90 0.00 0.62 0.00 0.20 -4.95 107.32 103.65 2kmn s GLY 43 Ca 0.00 0.51 0.27 0.00 0.00 0.00 0.00 44.72 45.50 2kmn s GLY 43 CO 0.00 0.99 2.04 1.39 0.00 0.00 0.00 173.10 177.53 2kmn n ILE 44 N 0.98 0.00 0.00 0.90 2.08 -1.26 -4.42 119.36 117.64 2kmn n ILE 44 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kmn n ILE 44 Cb 0.49 -0.45 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kmn n GLY 45 N 0.89 1.66 3.12 7.39 0.00 -1.26 0.20 105.19 117.19 2kmn n GLY 45 Ca 0.21 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.07 -4.93 118.68 119.35 2kmn s LEU 46 Ca 0.00 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 2kmn s LEU 46 Cb 0.00 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.69 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 3.70 0.12 5.97 0.00 -1.26 -1.58 121.76 128.84 2kmn s ALA 47 Ca -0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2kmn s ALA 47 Cb -0.12 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 20.92 2kmn s ALA 47 CO 0.03 0.24 0.87 0.00 0.00 0.00 0.00 175.76 176.89 2kmn n ALA 48 N 3.20 -0.11 -0.25 0.00 0.00 0.21 0.87 120.51 124.43 2kmn n ALA 48 Ca -0.16 0.55 0.16 0.00 0.00 0.00 0.00 53.44 53.99 2kmn n ALA 48 Cb 0.52 -0.23 0.45 0.00 0.00 0.00 0.00 19.45 20.20 2kmn n ALA 48 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kmn h THR 49 N 0.00 0.74 -0.60 0.00 1.35 -1.74 0.27 112.91 112.94 2kmn h THR 49 Ca 0.18 -0.18 -0.09 0.00 -0.55 0.00 0.00 66.41 65.77 2kmn h THR 49 Cb 0.32 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.88 2kmn h THR 49 CO -0.55 0.10 0.04 1.56 -0.25 0.00 0.00 175.52 176.41 2kmn h GLN 50 N 0.53 1.04 -0.62 4.72 4.20 0.20 -2.15 115.11 123.04 2kmn h GLN 50 Ca 0.46 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2kmn h GLN 50 Cb 0.96 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2kmn h GLN 50 CO -0.20 1.00 0.00 1.33 -0.67 0.00 0.00 178.83 180.29 2kmn n VAL 51 N -4.23 0.40 -1.84 -0.54 0.24 0.79 0.31 118.33 113.46 2kmn n VAL 51 Ca 0.03 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.34 62.06 2kmn n VAL 51 Cb 0.32 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 -2.14 -4.02 -1.34 2.03 -0.81 -4.12 116.55 106.19 2kmn n ASP 52 Ca 0.05 0.02 -0.31 0.00 0.52 0.00 0.00 54.79 55.06 2kmn n ASP 52 Cb 0.31 -1.18 -0.15 0.00 -0.72 0.00 0.00 41.12 39.38 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 -2.15 1.91 -0.28 5.18 -4.36 -0.17 -4.97 121.20 116.35 2kmn s ILE 53 Ca 0.00 -1.41 -0.06 0.00 -0.26 0.00 0.00 60.65 58.93 2kmn s ILE 53 Cb 0.00 -2.05 -0.19 0.00 1.25 0.00 0.00 42.46 41.47 2kmn s ILE 53 CO 0.00 -0.01 2.96 0.00 0.24 0.00 0.00 174.94 178.14 2kmn n HIS 54 N 4.54 0.42 -3.79 1.37 1.44 -1.26 -2.66 115.22 115.28 2kmn n HIS 54 Ca -0.14 -1.52 -0.14 0.00 -2.01 0.00 0.00 57.72 53.91 2kmn n HIS 54 Cb 0.43 -1.54 -0.15 0.00 0.12 0.00 0.00 29.99 28.85 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 1.65 -0.01 -0.13 -1.40 -0.21 -1.26 -3.69 119.66 114.60 2kmn s GLN 55 Ca 0.55 0.18 -0.24 0.00 0.02 0.00 0.00 55.36 55.87 2kmn s GLN 55 Cb 0.24 -0.18 -0.28 0.00 1.00 0.00 0.00 33.01 33.79 2kmn s GLN 55 CO -0.01 -0.13 1.56 0.54 -2.12 0.00 0.00 175.29 175.13 2kmn n ARG 56 N 3.93 0.27 -4.02 2.91 1.74 -0.53 -4.51 116.66 116.45 2kmn n ARG 56 Ca -0.24 -1.05 -0.35 0.00 -0.77 0.00 0.00 57.85 55.44 2kmn n ARG 56 Cb 0.52 -2.48 -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 6.30 3.39 0.04 0.55 -1.09 -1.26 0.53 121.20 129.65 2kmn s ILE 57 Ca 0.55 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.53 2kmn s ILE 57 Cb 0.12 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 2kmn s ILE 57 CO 0.25 0.44 -0.15 0.27 -1.23 0.00 0.00 174.94 174.52 2kmn s ILE 58 N 1.29 1.15 -0.01 2.92 -5.25 -0.60 0.63 121.20 121.34 2kmn s ILE 58 Ca 0.04 -1.02 0.06 0.00 -0.99 0.00 0.00 60.65 58.73 2kmn s ILE 58 Cb -0.14 -1.04 -0.01 0.00 2.95 0.00 0.00 42.46 44.21 2kmn s ILE 58 CO -0.02 0.02 -0.18 0.68 -1.79 0.00 0.00 174.94 173.64 2kmn s VAL 59 N -0.85 1.44 0.14 8.37 -7.23 -0.62 -0.61 120.40 121.04 2kmn s VAL 59 Ca 0.02 -0.78 0.09 0.00 -1.81 0.00 0.00 61.98 59.50 2kmn s VAL 59 Cb -0.08 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2kmn s VAL 59 CO 0.01 0.41 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.43 2kmn s ILE 60 N -0.42 3.00 -0.21 -0.62 -1.09 0.26 -0.89 121.20 121.24 2kmn s ILE 60 Ca 0.07 -1.57 0.22 0.00 -2.23 0.00 0.00 60.65 57.14 2kmn s ILE 60 Cb -0.07 -2.42 0.48 0.00 -1.58 0.00 0.00 42.46 38.86 2kmn s ILE 60 CO -0.01 0.01 1.15 -0.67 -1.23 0.00 0.00 174.94 174.20 2kmn n ASP 61 N 0.47 1.19 -4.43 3.58 2.03 0.54 -1.10 116.55 118.83 2kmn n ASP 61 Ca -0.13 -2.03 -0.44 0.00 0.52 0.00 0.00 54.79 52.71 2kmn n ASP 61 Cb 0.54 -0.35 -0.09 0.00 -0.72 0.00 0.00 41.12 40.50 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 -2.69 5.24 -0.48 5.18 1.01 -1.06 -4.54 120.40 123.06 2kmn s VAL 62 Ca 0.27 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 2kmn s VAL 62 Cb 0.34 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 2kmn s VAL 62 CO -0.07 -0.42 1.26 -1.54 0.00 0.00 0.00 175.10 174.32 2kmn n SER 63 N 5.21 -1.16 0.31 3.32 3.41 -1.26 -4.72 113.62 118.73 2kmn n SER 63 Ca -0.11 -0.58 0.18 0.00 -0.26 0.00 0.00 58.87 58.10 2kmn n SER 63 Cb 0.46 -0.39 1.00 0.00 -0.26 0.00 0.00 64.21 65.02 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 7.30 0.00 0.00 4.33 4.81 -1.93 -3.44 114.58 125.65 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 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2kmn h GLU 64 CO 1.01 0.02 0.00 -1.71 -0.73 0.00 0.00 179.01 177.60 2kmn n ASN 65 N -3.46 0.00 0.00 1.04 5.15 -1.26 -5.03 115.26 111.69 2kmn n ASN 65 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2kmn n ASN 65 Cb 0.11 0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 2kmn n ASN 65 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kmn n ARG 66 N -1.63 0.00 -4.06 1.20 5.12 -1.26 -5.05 116.66 110.97 2kmn n ARG 66 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 2kmn n ARG 66 Cb 0.00 -0.36 -0.11 0.00 -1.16 0.00 0.00 32.46 30.83 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 -4.75 5.29 0.11 0.55 1.01 -1.26 -5.01 116.67 112.62 2kmn s ASP 67 Ca 0.00 -0.04 -0.22 0.00 0.71 0.00 0.00 52.55 53.00 2kmn s ASP 67 Cb 0.00 -1.91 -0.07 0.00 1.01 0.00 0.00 42.92 41.95 2kmn s ASP 67 CO 0.00 0.13 0.65 -1.61 0.21 0.00 0.00 175.17 174.55 2kmn s GLU 68 N 0.64 4.35 0.00 8.23 2.02 -1.26 -4.48 118.70 128.20 2kmn s GLU 68 Ca 0.02 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2kmn s GLU 68 Cb -0.13 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.85 2kmn s GLU 68 CO 0.02 0.61 0.00 -2.13 0.02 0.00 0.00 175.26 173.78 2kmn n ARG 69 N 1.68 0.00 -4.05 1.61 0.00 -1.26 -5.04 116.66 109.60 2kmn n ARG 69 Ca -0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.42 2kmn n ARG 69 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.87 2kmn n ARG 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kmn s LEU 70 N 0.00 3.84 -0.03 6.15 2.01 -0.26 -5.00 118.68 125.39 2kmn s LEU 70 Ca 0.00 0.13 0.02 0.00 0.01 0.00 0.00 54.13 54.29 2kmn s LEU 70 Cb 0.00 -1.95 0.01 0.00 0.01 0.00 0.00 46.19 44.26 2kmn s LEU 70 CO 0.00 0.23 -0.06 0.54 1.01 0.00 0.00 176.35 178.08 2kmn s VAL 71 N 0.01 0.53 -0.00 -1.59 0.11 -1.26 0.91 120.40 119.11 2kmn s VAL 71 Ca 0.06 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2kmn s VAL 71 Cb -0.12 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 2kmn s VAL 71 CO 0.01 0.19 0.06 -0.76 -3.33 0.00 0.00 175.10 171.27 2kmn s LEU 72 N 0.41 1.85 -0.04 2.54 2.01 0.22 -4.42 118.68 121.26 2kmn s LEU 72 Ca -0.05 -0.19 0.06 0.00 0.01 0.00 0.00 54.13 53.95 2kmn s LEU 72 Cb -0.09 0.33 -0.01 0.00 0.01 0.00 0.00 46.19 46.43 2kmn s LEU 72 CO 0.00 -0.23 -0.21 -0.63 1.01 0.00 0.00 176.35 176.29 2kmn s ILE 73 N -0.92 1.75 -1.45 -0.59 1.09 0.46 -1.55 121.20 119.98 2kmn s ILE 73 Ca -0.10 -0.91 -0.12 0.00 -1.10 0.00 0.00 60.65 58.42 2kmn s ILE 73 Cb -0.06 -1.48 0.08 0.00 -1.06 0.00 0.00 42.46 39.94 2kmn s ILE 73 CO 0.00 0.49 0.72 0.59 -0.10 0.00 0.00 174.94 176.64 2kmn n ASN 74 N 2.92 -4.35 -4.68 3.58 5.03 0.19 -1.82 115.26 116.12 2kmn n ASN 74 Ca -0.17 -0.59 -0.38 0.00 0.87 0.00 0.00 54.58 54.31 2kmn n ASN 74 Cb 0.52 -3.53 0.05 0.00 -1.02 0.00 0.00 39.78 35.80 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 -4.19 1.22 -4.05 3.52 -0.02 -1.25 -4.74 135.00 125.49 2kmn n PRO 75 Ca 0.01 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 2kmn n PRO 75 Cb 0.54 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.89 0.32 0.16 -0.52 -1.05 0.22 -4.95 118.70 109.98 2kmn s GLU 76 Ca 0.75 -0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 54.99 2kmn s GLU 76 Cb -0.42 -0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 32.98 2kmn s GLU 76 CO 0.47 0.05 0.94 -1.17 0.95 0.00 0.00 175.26 176.50 2kmn s LEU 77 N -0.51 4.56 -0.14 1.83 2.96 -1.26 -0.50 118.68 125.63 2kmn s LEU 77 Ca -0.03 1.84 -0.03 0.00 -0.22 0.00 0.00 54.13 55.69 2kmn s LEU 77 Cb -0.04 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 2kmn s LEU 77 CO -0.00 0.03 -0.15 0.18 -1.32 0.00 0.00 176.35 175.10 2kmn n LEU 78 N 2.25 2.09 -3.69 -0.68 7.99 0.50 -4.91 117.00 120.55 2kmn n LEU 78 Ca 0.00 0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.90 2kmn n LEU 78 Cb 0.48 -0.44 -0.09 0.00 -0.11 0.00 0.00 43.42 43.27 2kmn n LEU 78 CO 0.50 0.53 0.17 -0.70 -1.51 0.00 0.00 177.39 176.38 2kmn s GLU 79 N -2.26 0.66 0.01 3.23 2.56 -0.83 -4.95 118.70 117.13 2kmn s GLU 79 Ca -0.19 0.38 0.01 0.00 0.00 0.00 0.00 54.97 55.17 2kmn s GLU 79 Cb 0.06 0.31 -0.01 0.00 2.00 0.00 0.00 34.13 36.50 2kmn s GLU 79 CO 0.28 -0.14 -0.03 -1.59 -0.56 0.00 0.00 175.26 173.22 2kmn s LYS 80 N -0.39 0.25 -0.01 4.30 -2.85 -1.26 -0.78 119.74 119.00 2kmn s LYS 80 Ca -0.05 -0.24 -0.18 0.00 -1.00 0.00 0.00 55.97 54.50 2kmn s LYS 80 Cb -0.03 -0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.61 2kmn s LYS 80 CO 0.03 0.04 0.38 -1.54 0.10 0.00 0.00 175.35 174.36 2kmn s SER 81 N -0.43 -0.28 0.09 0.03 1.04 0.89 -4.98 113.70 110.06 2kmn s SER 81 Ca -0.03 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2kmn s SER 81 Cb -0.03 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2kmn s SER 81 CO -0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2kmn n GLY 82 N 1.13 -3.16 3.30 7.32 0.00 -1.26 0.98 105.19 113.49 2kmn n GLY 82 Ca -0.21 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 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 -5.10 2.94 0.29 1.61 2.12 -1.26 0.17 118.70 119.46 2kmn s GLU 83 Ca 0.00 -0.95 0.11 0.00 0.36 0.00 0.00 54.97 54.49 2kmn s GLU 83 Cb 0.00 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2kmn s GLU 83 CO 0.00 -0.48 -0.10 0.95 -0.54 0.00 0.00 175.26 175.08 2kmn s THR 84 N 1.44 2.80 -0.21 -1.70 -4.23 0.20 -4.84 115.64 109.10 2kmn s THR 84 Ca 0.01 -2.18 -0.09 0.00 -1.18 0.00 0.00 61.69 58.25 2kmn s THR 84 Cb -0.18 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.19 2kmn s THR 84 CO 0.01 -0.35 0.48 -0.83 -0.54 0.00 0.00 174.62 173.39 2kmn s GLY 85 N -3.60 -0.44 -0.10 3.99 0.00 -1.26 0.40 107.32 106.31 2kmn s GLY 85 Ca 0.31 1.74 -0.08 0.00 0.00 0.00 0.00 44.72 46.69 2kmn s GLY 85 CO 0.17 2.30 0.26 -0.42 0.00 0.00 0.00 173.10 175.41 2kmn s ILE 86 N 2.19 -0.01 0.30 0.90 -1.09 -1.12 -4.88 121.20 117.49 2kmn s ILE 86 Ca -0.06 0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.11 2kmn s ILE 86 Cb -0.10 -0.37 -0.10 0.00 -1.58 0.00 0.00 42.46 40.31 2kmn s ILE 86 CO -0.15 0.01 1.18 -1.61 -1.23 0.00 0.00 174.94 173.15 2kmn s GLU 87 N 0.42 4.52 0.22 2.79 2.02 -1.26 -2.23 118.70 125.18 2kmn s GLU 87 Ca -0.02 1.97 -0.17 0.00 0.02 0.00 0.00 54.97 56.76 2kmn s GLU 87 Cb -0.04 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 31.07 2kmn s GLU 87 CO -0.02 0.05 0.55 -1.21 0.02 0.00 0.00 175.26 174.64 2kmn s GLU 88 N -1.53 1.47 0.38 1.61 2.02 -0.69 -4.84 118.70 117.12 2kmn s GLU 88 Ca 0.47 -0.94 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2kmn s GLU 88 Cb -0.35 0.53 -0.07 0.00 0.10 0.00 0.00 34.13 34.33 2kmn s GLU 88 CO 0.45 -0.63 -0.02 0.20 0.02 0.00 0.00 175.26 175.28 2kmn s GLY 89 N -2.90 2.35 -0.01 -1.39 0.00 -1.26 -0.26 107.32 103.85 2kmn s GLY 89 Ca 0.11 -2.21 0.04 0.00 0.00 0.00 0.00 44.72 42.67 2kmn s GLY 89 CO 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 173.10 170.93 2kmn h LEU 91 N 4.86 0.00 0.00 0.00 7.12 -1.92 0.19 115.31 125.56 2kmn h LEU 91 Ca -0.48 0.00 -0.36 0.00 0.13 0.00 0.00 57.88 57.17 2kmn h LEU 91 Cb 1.16 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.22 2kmn h LEU 91 CO 0.51 0.00 -2.37 -1.20 -0.13 0.00 0.00 178.44 175.25 2kmn n SER 92 N -2.19 0.84 -4.85 1.25 7.64 -1.26 -4.87 113.62 110.18 2kmn n SER 92 Ca -0.01 -0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.50 2kmn n SER 92 Cb 0.28 0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 63.93 2kmn n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kmn s ILE 93 N -2.48 4.68 0.00 0.44 1.01 0.68 -3.28 121.20 122.26 2kmn s ILE 93 Ca -0.18 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2kmn s ILE 93 Cb 0.07 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2kmn s ILE 93 CO 0.72 -0.25 0.00 -0.81 0.00 0.00 0.00 174.94 174.60 2kmn n PRO 94 N -0.54 2.48 0.00 2.79 -0.04 -1.26 -4.21 135.00 134.21 2kmn n PRO 94 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2kmn n PRO 94 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2kmn n PRO 94 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2kmn n GLU 95 N 0.00 0.98 -2.52 0.54 0.28 -1.26 -4.48 120.64 114.18 2kmn n GLU 95 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2kmn n GLU 95 Cb 0.00 -1.13 -0.01 0.00 1.43 0.00 0.00 31.44 31.72 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2kmn s GLN 96 N -1.73 3.77 -0.00 3.44 -1.52 -1.26 -4.96 119.66 117.40 2kmn s GLN 96 Ca 0.00 -1.75 -0.23 0.00 -1.95 0.00 0.00 55.36 51.42 2kmn s GLN 96 Cb 0.00 -5.48 -0.05 0.00 -0.22 0.00 0.00 33.01 27.26 2kmn s GLN 96 CO 0.00 -2.42 0.70 1.03 -0.25 0.00 0.00 175.29 174.35 2kmn s ARG 97 N 4.59 4.43 0.09 2.91 0.52 -1.25 -4.65 118.95 125.58 2kmn s ARG 97 Ca 0.54 0.92 0.08 0.00 -0.52 0.00 0.00 55.73 56.74 2kmn s ARG 97 Cb 0.03 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 2kmn s ARG 97 CO 0.05 0.24 -0.20 0.00 0.02 0.00 0.00 175.30 175.42 2kmn s ALA 98 N 0.16 1.71 -0.34 2.13 0.00 0.64 -4.59 121.76 121.47 2kmn s ALA 98 Ca 0.36 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2kmn s ALA 98 Cb -0.19 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2kmn s ALA 98 CO 0.20 0.34 1.31 -1.17 0.00 0.00 0.00 175.76 176.44 2kmn s LEU 99 N -1.73 3.80 -0.19 0.00 0.20 -1.26 -1.70 118.68 117.79 2kmn s LEU 99 Ca 0.06 1.06 -0.08 0.00 0.69 0.00 0.00 54.13 55.86 2kmn s LEU 99 Cb -0.10 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 2kmn s LEU 99 CO 0.03 -1.16 0.07 0.54 -0.29 0.00 0.00 176.35 175.54 2kmn s VAL 100 N 4.59 4.78 -0.10 1.68 0.11 -0.95 -4.76 120.40 125.75 2kmn s VAL 100 Ca 0.56 -0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 59.32 2kmn s VAL 100 Cb -0.15 -3.16 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 2kmn s VAL 100 CO 0.26 0.45 0.85 -2.16 -3.33 0.00 0.00 175.10 171.16 2kmn s PRO 101 N 0.46 4.40 0.17 1.54 0.04 -1.26 -2.80 135.00 137.55 2kmn s PRO 101 Ca 0.03 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 2kmn s PRO 101 Cb -0.13 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 2kmn s PRO 101 CO 0.01 -0.18 0.19 -0.98 0.04 0.00 0.00 177.00 176.08 2kmn s ARG 102 N 1.59 1.13 0.69 4.56 3.03 0.16 -4.96 118.95 125.15 2kmn s ARG 102 Ca 0.42 -1.38 -0.15 0.00 2.03 0.00 0.00 55.73 56.65 2kmn s ARG 102 Cb -0.18 0.32 0.01 0.00 -1.03 0.00 0.00 34.95 34.07 2kmn s ARG 102 CO 0.17 -0.38 1.13 0.00 -1.13 0.00 0.00 175.30 175.09 2kmn s ALA 103 N -4.05 2.36 0.10 7.88 0.00 -1.25 0.58 121.76 127.38 2kmn s ALA 103 Ca 0.25 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 52.67 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 0.05 -1.46 1.31 1.49 0.00 0.00 0.00 175.76 177.14 2kmn h GLU 104 N -0.16 0.78 -3.75 0.00 4.81 0.49 -3.41 114.58 113.34 2kmn h GLU 104 Ca -0.47 -0.63 -0.22 0.00 -0.13 0.00 0.00 59.36 57.91 2kmn h GLU 104 Cb 1.25 0.13 -0.27 0.00 0.63 0.00 0.00 28.75 30.49 2kmn h GLU 104 CO 0.53 1.24 -0.72 0.15 -0.73 0.00 0.00 179.01 179.48 2kmn s LYS 105 N -3.78 0.03 -0.15 1.92 1.02 -0.16 -1.25 119.74 117.37 2kmn s LYS 105 Ca -0.11 -0.05 -0.17 0.00 0.02 0.00 0.00 55.97 55.66 2kmn s LYS 105 Cb 0.08 0.01 0.04 0.00 -0.52 0.00 0.00 37.83 37.45 2kmn s LYS 105 CO 0.90 -0.00 0.46 0.14 -0.92 0.00 0.00 175.35 175.92 2kmn s VAL 106 N -0.13 0.01 -0.19 3.17 -7.23 0.24 -0.08 120.40 116.19 2kmn s VAL 106 Ca -0.01 -0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 60.05 2kmn s VAL 106 Cb -0.01 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 2kmn s VAL 106 CO -0.00 -0.03 0.01 -0.54 -0.31 0.00 0.00 175.10 174.23 2kmn s LYS 107 N 0.01 3.71 0.06 4.82 -0.14 0.04 0.57 119.74 128.81 2kmn s LYS 107 Ca -0.02 -0.48 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 2kmn s LYS 107 Cb -0.03 -3.07 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 2kmn s LYS 107 CO 0.01 0.12 -0.09 0.96 -0.76 0.00 0.00 175.35 175.59 2kmn s ILE 108 N 0.72 0.71 -0.09 2.17 -5.25 0.83 -0.37 121.20 119.91 2kmn s ILE 108 Ca 0.00 -1.22 -0.04 0.00 -0.99 0.00 0.00 60.65 58.40 2kmn s ILE 108 Cb -0.14 -0.83 -0.04 0.00 2.95 0.00 0.00 42.46 44.41 2kmn s ILE 108 CO 0.02 -0.39 0.07 -0.13 -1.79 0.00 0.00 174.94 172.73 2kmn s ARG 109 N -1.83 3.21 0.25 0.37 0.52 0.35 0.22 118.95 122.04 2kmn s ARG 109 Ca -0.06 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.65 2kmn s ARG 109 Cb -0.09 -2.99 0.03 0.00 0.52 0.00 0.00 34.95 32.43 2kmn s ARG 109 CO 0.01 0.73 0.72 0.00 0.02 0.00 0.00 175.30 176.78 2kmn s ALA 110 N -0.98 -1.30 0.14 2.13 0.00 0.93 0.69 121.76 123.36 2kmn s ALA 110 Ca 0.15 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.03 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 0.04 -1.01 -0.17 -0.48 0.00 0.00 0.00 175.76 174.15 2kmn s LEU 111 N -2.90 2.74 0.59 0.00 0.05 -0.76 0.17 118.68 118.57 2kmn s LEU 111 Ca 0.10 -0.59 -0.07 0.00 0.05 0.00 0.00 54.13 53.63 2kmn s LEU 111 Cb -0.05 -1.54 0.00 0.00 -2.05 0.00 0.00 46.19 42.55 2kmn s LEU 111 CO 0.04 0.16 0.91 -0.62 -0.55 0.00 0.00 176.35 176.29 2kmn s ASP 112 N -2.32 5.70 0.62 1.48 2.15 -0.98 0.17 116.67 123.49 2kmn s ASP 112 Ca 0.20 0.82 0.27 0.00 0.43 0.00 0.00 52.55 54.26 2kmn s ASP 112 Cb -0.10 -1.84 1.45 0.00 -0.30 0.00 0.00 42.92 42.13 2kmn s ASP 112 CO 0.11 -1.01 1.80 -0.09 -0.17 0.00 0.00 175.17 175.81 2kmn h ARG 113 N -0.17 0.00 0.00 4.34 2.43 -1.93 0.45 114.38 119.51 2kmn h ARG 113 Ca -0.45 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 2kmn h ARG 113 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2kmn h ARG 113 CO 0.61 0.00 -0.59 -0.44 -1.51 0.00 0.00 179.97 178.04 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.96 -3.46 116.42 110.51 2kmn h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmn h ASP 114 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2kmn h ASP 114 CO 0.00 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 2kmn n GLY 115 N 1.18 1.40 2.83 2.75 0.00 0.16 -5.09 105.19 108.42 2kmn n GLY 115 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2kmn n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmn s LYS 116 N -0.27 1.04 -0.25 1.61 -0.14 -1.25 -4.91 119.74 115.57 2kmn s LYS 116 Ca 0.00 -1.16 -0.29 0.00 -1.36 0.00 0.00 55.97 53.16 2kmn s LYS 116 Cb 0.00 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 2kmn s LYS 116 CO 0.00 -0.87 1.46 -2.14 -0.76 0.00 0.00 175.35 173.04 2kmn s PRO 117 N 1.45 3.87 0.32 -1.68 0.02 -1.26 -2.32 135.00 135.40 2kmn s PRO 117 Ca 0.06 1.48 0.05 0.00 0.02 0.00 0.00 61.00 62.60 2kmn s PRO 117 Cb -0.18 -3.95 -0.06 0.00 0.02 0.00 0.00 34.50 30.32 2kmn s PRO 117 CO -0.16 -1.19 0.03 -0.59 -0.33 0.00 0.00 177.00 174.76 2kmn s PHE 118 N 4.74 1.99 -0.16 6.54 -0.12 0.45 -4.88 117.98 126.54 2kmn s PHE 118 Ca 0.64 -0.88 -0.05 0.00 -0.05 0.00 0.00 56.93 56.59 2kmn s PHE 118 Cb -0.21 -1.27 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 2kmn s PHE 118 CO 0.26 0.09 -0.00 -1.21 -0.05 0.00 0.00 175.22 174.31 2kmn s GLU 119 N -3.84 3.78 -0.07 1.99 8.01 -1.26 -0.05 118.70 127.25 2kmn s GLU 119 Ca 0.35 -0.45 0.04 0.00 0.01 0.00 0.00 54.97 54.92 2kmn s GLU 119 Cb 0.08 -3.02 -0.00 0.00 -4.31 0.00 0.00 34.13 26.88 2kmn s GLU 119 CO 0.15 0.26 -0.21 -0.48 0.01 0.00 0.00 175.26 174.99 2kmn s LEU 120 N 0.34 1.97 -0.21 1.80 0.05 0.13 -4.96 118.68 117.81 2kmn s LEU 120 Ca -0.01 -0.46 -0.18 0.00 0.05 0.00 0.00 54.13 53.53 2kmn s LEU 120 Cb -0.13 -1.20 -0.03 0.00 -2.05 0.00 0.00 46.19 42.77 2kmn s LEU 120 CO 0.02 0.16 0.50 -1.83 -0.55 0.00 0.00 176.35 174.65 2kmn s GLU 121 N 0.20 4.18 -0.08 1.48 -1.05 -1.26 -0.12 118.70 122.04 2kmn s GLU 121 Ca -0.11 0.37 0.04 0.00 -0.15 0.00 0.00 54.97 55.13 2kmn s GLU 121 Cb -0.15 -3.57 -0.01 0.00 -0.44 0.00 0.00 34.13 29.96 2kmn s GLU 121 CO 0.05 -0.15 -0.22 0.00 0.95 0.00 0.00 175.26 175.89 2kmn s ALA 122 N 1.65 2.28 0.22 -0.84 0.00 0.19 -4.95 121.76 120.31 2kmn s ALA 122 Ca 0.23 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2kmn s ALA 122 Cb -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 2kmn s ALA 122 CO 0.09 0.37 -0.11 -0.51 0.00 0.00 0.00 175.76 175.61 2kmn s ASP 123 N -0.02 2.46 0.76 0.00 1.01 -1.26 0.82 116.67 120.43 2kmn s ASP 123 Ca -0.07 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.12 2kmn s ASP 123 Cb -0.15 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.67 2kmn s ASP 123 CO 0.05 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.78 2kmn n GLY 124 N -0.41 2.48 0.38 0.21 0.00 -0.38 -1.76 105.19 105.71 2kmn n GLY 124 Ca -0.07 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 0.07 0.08 0.99 4.07 -1.98 0.30 115.31 118.83 2kmn h LEU 125 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kmn h LEU 125 Cb 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 2kmn h LEU 125 CO 0.00 0.04 -0.04 0.25 -1.08 0.00 0.00 178.44 177.61 2kmn h LEU 126 N 0.07 -0.09 -0.30 1.67 7.12 -1.70 -2.25 115.31 119.83 2kmn h LEU 126 Ca 0.26 -0.46 0.00 0.00 0.13 0.00 0.00 57.88 57.81 2kmn h LEU 126 Cb 0.94 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 2kmn h LEU 126 CO -0.02 0.45 0.19 0.00 -0.13 0.00 0.00 178.44 178.93 2kmn h ALA 127 N 0.16 0.38 0.42 1.25 0.00 -0.71 -1.23 119.26 119.52 2kmn h ALA 127 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kmn h ALA 127 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kmn h ALA 127 CO 0.02 -0.15 -0.20 0.82 0.00 0.00 0.00 179.25 179.74 2kmn h ILE 128 N 0.40 0.57 -0.22 0.00 1.08 -0.53 -1.57 117.51 117.25 2kmn h ILE 128 Ca 0.11 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2kmn h ILE 128 Cb -0.03 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 2kmn h ILE 128 CO -0.02 0.06 0.07 0.00 -0.69 0.00 0.00 178.15 177.57 2kmn h ILE 130 N 0.17 1.17 -0.49 0.00 2.10 -1.26 -0.11 117.51 119.11 2kmn h ILE 130 Ca 0.09 -0.41 -0.11 0.00 1.08 0.00 0.00 64.86 65.52 2kmn h ILE 130 Cb 0.06 -0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 35.67 2kmn h ILE 130 CO -0.10 0.22 -0.14 1.56 -1.08 0.00 0.00 178.15 178.61 2kmn h GLN 131 N 1.18 0.96 -0.48 2.19 4.20 -0.85 -2.32 115.11 119.99 2kmn h GLN 131 Ca 0.36 -0.38 0.04 0.00 0.06 0.00 0.00 58.65 58.73 2kmn h GLN 131 Cb -0.03 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 2kmn h GLN 131 CO -0.11 1.04 0.25 1.25 -0.67 0.00 0.00 178.83 180.60 2kmn h HIS 132 N 0.81 0.47 -0.75 2.96 2.76 0.01 -1.70 115.15 119.70 2kmn h HIS 132 Ca 0.12 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2kmn h HIS 132 Cb 0.70 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 2kmn h HIS 132 CO 0.05 0.24 0.50 0.93 -1.30 0.00 0.00 177.93 178.35 2kmn h GLU 133 N 0.50 0.99 -0.37 5.26 4.39 -0.90 0.27 114.58 124.72 2kmn h GLU 133 Ca 0.21 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.89 2kmn h GLU 133 Cb 0.10 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 2kmn h GLU 133 CO -0.13 0.65 0.13 0.52 -1.16 0.00 0.00 179.01 179.02 2kmn h MET 134 N 1.02 0.27 -0.11 2.33 2.86 -0.81 0.25 114.93 120.75 2kmn h MET 134 Ca 0.28 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2kmn h MET 134 Cb -0.12 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 2kmn h MET 134 CO -0.06 0.18 0.01 -0.44 1.06 0.00 0.00 176.91 177.67 2kmn h ASP 135 N 0.28 0.18 -0.06 1.22 3.32 -0.76 -2.09 116.42 118.51 2kmn h ASP 135 Ca 0.17 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.97 2kmn h ASP 135 Cb 0.14 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2kmn h ASP 135 CO -0.17 0.40 -0.07 -0.74 -1.72 0.00 0.00 179.24 176.94 2kmn h HIS 136 N -0.06 -0.17 -0.07 4.55 2.76 0.11 0.17 115.15 122.44 2kmn h HIS 136 Ca 0.03 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2kmn h HIS 136 Cb 0.30 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 2kmn h HIS 136 CO 0.02 -0.11 0.01 1.37 -1.30 0.00 0.00 177.93 177.92 2kmn h LEU 137 N -0.09 0.08 -1.96 0.26 8.10 -0.50 0.49 115.31 121.68 2kmn h LEU 137 Ca 0.05 -0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.98 2kmn h LEU 137 Cb 0.16 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.33 2kmn h LEU 137 CO -0.12 0.09 0.07 0.55 -4.11 0.00 0.00 178.44 174.92 2kmn n VAL 138 N -4.49 1.01 -0.77 0.15 3.14 -0.76 -0.84 118.33 115.77 2kmn n VAL 138 Ca -0.02 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 2kmn n VAL 138 Cb 0.11 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 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 0.29 3.77 7.55 0.00 0.12 -4.08 105.19 112.98 2kmn n GLY 139 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.86 4.08 0.06 1.61 -2.85 0.51 -4.08 119.74 118.20 2kmn s LYS 140 Ca 0.00 0.19 0.02 0.00 -1.00 0.00 0.00 55.97 55.18 2kmn s LYS 140 Cb 0.00 -3.34 -0.03 0.00 -2.06 0.00 0.00 37.83 32.40 2kmn s LYS 140 CO 0.00 0.41 -0.07 -0.51 0.10 0.00 0.00 175.35 175.28 2kmn s LEU 141 N -0.10 2.33 0.44 2.77 1.02 -1.26 -1.16 118.68 122.73 2kmn s LEU 141 Ca 0.19 -0.69 0.18 0.00 0.02 0.00 0.00 54.13 53.83 2kmn s LEU 141 Cb -0.14 -0.13 1.12 0.00 0.02 0.00 0.00 46.19 47.05 2kmn s LEU 141 CO 0.07 -0.28 1.90 2.19 0.02 0.00 0.00 176.35 180.25 2kmn h PHE 142 N 4.03 0.43 -0.00 0.29 -5.15 -1.96 0.14 116.94 114.72 2kmn h PHE 142 Ca -0.36 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.43 2kmn h PHE 142 Cb 1.19 -0.13 -0.00 0.00 0.22 0.00 0.00 35.95 37.23 2kmn h PHE 142 CO 0.63 0.14 0.00 1.98 -2.00 0.00 0.00 178.31 179.07 2kmn h MET 143 N 0.35 0.00 -0.07 6.09 4.05 -1.96 -1.03 114.93 122.37 2kmn h MET 143 Ca 0.40 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.84 2kmn h MET 143 Cb 1.02 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2kmn h MET 143 CO -0.12 0.00 0.08 0.22 0.23 0.00 0.00 176.91 177.32 2kmn h ASP 144 N 0.00 0.00 -0.13 1.39 3.58 -1.13 -2.10 116.42 118.02 2kmn h ASP 144 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kmn h ASP 144 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kmn h ASP 144 CO -0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2kmn n TYR 145 N -3.81 0.18 -3.40 0.28 9.36 -0.41 -5.02 117.16 114.34 2kmn n TYR 145 Ca -0.01 -0.51 -0.36 0.00 3.32 0.00 0.00 57.90 60.33 2kmn n TYR 145 Cb 0.18 -0.05 -0.06 0.00 -0.63 0.00 0.00 39.34 38.78 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 -1.05 4.39 0.00 2.98 1.02 -0.79 -5.14 118.68 120.08 2kmn s LEU 146 Ca 0.10 1.04 0.15 0.00 0.02 0.00 0.00 54.13 55.44 2kmn s LEU 146 Cb 0.05 -3.07 0.90 0.00 0.02 0.00 0.00 46.19 44.09 2kmn s LEU 146 CO 0.06 0.17 1.31 -0.24 0.02 0.00 0.00 176.35 177.67