#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 4.81 0.25 0.44 -7.23 -1.26 -4.44 120.40 112.97 2kmn s VAL 2 Ca 0.00 1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 61.82 2kmn s VAL 2 Cb 0.00 -4.14 0.05 0.00 0.56 0.00 0.00 36.38 32.85 2kmn s VAL 2 CO 0.00 0.30 0.34 0.00 -0.31 0.00 0.00 175.10 175.44 2kmn n LEU 3 N 3.20 0.00 -4.61 1.32 -0.00 -1.26 -4.97 117.00 110.68 2kmn n LEU 3 Ca -0.01 -0.50 -0.43 0.00 -0.00 0.00 0.00 56.01 55.08 2kmn n LEU 3 Cb 0.50 -0.25 -0.02 0.00 -0.00 0.00 0.00 43.42 43.66 2kmn n LEU 3 CO 0.48 -0.72 1.02 0.00 -0.00 0.00 0.00 177.39 178.18 2kmn s GLN 4 N -3.55 3.78 -0.07 1.47 0.00 -1.26 -5.01 119.66 115.02 2kmn s GLN 4 Ca 0.21 0.66 -0.20 0.00 -0.00 0.00 0.00 55.36 56.02 2kmn s GLN 4 Cb -0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 33.01 29.08 2kmn s GLN 4 CO 0.14 -1.31 0.57 0.08 0.00 0.00 0.00 175.29 174.77 2kmn s VAL 5 N 4.35 5.08 0.26 3.63 1.01 -1.26 -3.87 120.40 129.59 2kmn s VAL 5 Ca 0.48 1.17 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 2kmn s VAL 5 Cb -0.08 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2kmn s VAL 5 CO 0.29 0.33 0.69 -0.76 0.00 0.00 0.00 175.10 175.65 2kmn s LEU 6 N 0.45 4.20 0.04 3.92 1.43 0.76 -4.95 118.68 124.54 2kmn s LEU 6 Ca 0.31 1.27 0.08 0.00 -1.03 0.00 0.00 54.13 54.75 2kmn s LEU 6 Cb -0.17 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2kmn s LEU 6 CO 0.14 -0.07 -0.23 -1.00 0.23 0.00 0.00 176.35 175.42 2kmn s HIS 7 N -1.75 2.02 0.25 0.29 3.76 -1.26 -3.71 115.29 114.89 2kmn s HIS 7 Ca 0.48 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.70 2kmn s HIS 7 Cb -0.13 -1.21 -0.10 0.00 1.11 0.00 0.00 32.58 32.25 2kmn s HIS 7 CO 0.19 0.10 1.36 0.42 -0.85 0.00 0.00 174.74 175.96 2kmn s ILE 8 N -0.78 2.89 0.33 0.60 -1.09 -0.16 -3.52 121.20 119.48 2kmn s ILE 8 Ca 0.09 0.77 -0.26 0.00 -2.23 0.00 0.00 60.65 59.03 2kmn s ILE 8 Cb -0.09 -3.49 -0.10 0.00 -1.58 0.00 0.00 42.46 37.20 2kmn s ILE 8 CO 0.02 0.13 0.97 -2.84 -1.23 0.00 0.00 174.94 171.99 2kmn s PRO 9 N -0.58 4.51 -0.29 2.79 0.02 -1.26 -4.81 135.00 135.38 2kmn s PRO 9 Ca 0.56 1.38 -0.16 0.00 0.02 0.00 0.00 61.00 62.80 2kmn s PRO 9 Cb -0.39 -2.77 0.11 0.00 0.02 0.00 0.00 34.50 31.47 2kmn s PRO 9 CO 0.43 0.20 0.81 0.34 -0.33 0.00 0.00 177.00 178.45 2kmn s ASP 10 N -1.58 -0.77 0.18 2.53 -1.08 -1.23 -5.05 116.67 109.67 2kmn s ASP 10 Ca 0.51 1.22 -0.13 0.00 -0.52 0.00 0.00 52.55 53.63 2kmn s ASP 10 Cb -0.20 1.38 0.12 0.00 -1.46 0.00 0.00 42.92 42.76 2kmn s ASP 10 CO 0.25 -0.19 1.80 1.05 0.52 0.00 0.00 175.17 178.60 2kmn h GLU 11 N 6.70 0.55 -0.14 4.34 9.09 -1.94 -1.78 114.58 131.40 2kmn h GLU 11 Ca -0.28 -0.03 0.04 0.00 0.05 0.00 0.00 59.36 59.14 2kmn h GLU 11 Cb 1.20 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 2kmn h GLU 11 CO 0.17 0.36 0.12 0.00 0.05 0.00 0.00 179.01 179.71 2kmn h ARG 12 N 0.57 0.00 0.02 1.06 2.47 -1.93 1.09 114.38 117.66 2kmn h ARG 12 Ca 0.22 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.73 2kmn h ARG 12 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2kmn h ARG 12 CO -0.12 0.00 -0.94 -0.07 0.56 0.00 0.00 179.97 179.40 2kmn h LEU 13 N 0.00 0.19 -2.00 3.04 3.38 -1.52 -2.59 115.31 115.82 2kmn h LEU 13 Ca 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kmn h LEU 13 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2kmn h LEU 13 CO -0.00 1.03 0.00 0.54 0.09 0.00 0.00 178.44 180.10 2kmn n ARG 14 N -3.57 2.42 -3.35 1.13 5.12 0.19 -3.84 116.66 114.76 2kmn n ARG 14 Ca -0.03 -1.86 -0.33 0.00 -1.93 0.00 0.00 57.85 53.70 2kmn n ARG 14 Cb 0.86 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.60 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 -1.48 3.91 -0.05 5.56 2.47 0.35 -4.34 119.74 126.16 2kmn s LYS 15 Ca 0.34 0.42 -0.27 0.00 -1.56 0.00 0.00 55.97 54.90 2kmn s LYS 15 Cb 0.19 -2.73 -0.03 0.00 -1.46 0.00 0.00 37.83 33.80 2kmn s LYS 15 CO 0.21 0.36 0.88 0.08 0.16 0.00 0.00 175.35 177.03 2kmn s VAL 16 N -1.70 4.92 0.16 4.02 1.01 -1.26 0.10 120.40 127.66 2kmn s VAL 16 Ca 0.44 1.82 -0.20 0.00 0.00 0.00 0.00 61.98 64.04 2kmn s VAL 16 Cb -0.13 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 2kmn s VAL 16 CO 0.20 0.16 0.67 0.00 0.00 0.00 0.00 175.10 176.13 2kmn s ALA 17 N 1.16 3.49 -0.17 5.51 0.00 0.43 -4.75 121.76 127.42 2kmn s ALA 17 Ca 0.46 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 2kmn s ALA 17 Cb -0.19 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 2kmn s ALA 17 CO 0.22 0.36 0.03 0.21 0.00 0.00 0.00 175.76 176.58 2kmn s LYS 18 N -1.61 3.87 -0.40 0.00 2.20 -1.25 -4.31 119.74 118.23 2kmn s LYS 18 Ca 0.37 -0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 55.30 2kmn s LYS 18 Cb -0.18 -3.11 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2kmn s LYS 18 CO 0.21 0.26 1.05 -1.25 -0.36 0.00 0.00 175.35 175.26 2kmn s PRO 19 N 0.38 3.83 0.42 4.03 0.04 -1.26 -1.49 135.00 140.95 2kmn s PRO 19 Ca 0.01 0.68 -0.25 0.00 0.04 0.00 0.00 61.00 61.48 2kmn s PRO 19 Cb -0.13 -3.83 -0.08 0.00 0.04 0.00 0.00 34.50 30.49 2kmn s PRO 19 CO 0.01 -1.12 1.18 0.08 0.04 0.00 0.00 177.00 177.19 2kmn s VAL 20 N 3.92 3.07 0.57 -0.36 1.01 -1.26 -4.92 120.40 122.44 2kmn s VAL 20 Ca 0.44 0.87 0.34 0.00 0.00 0.00 0.00 61.98 63.63 2kmn s VAL 20 Cb -0.10 -3.48 0.38 0.00 0.00 0.00 0.00 36.38 33.18 2kmn s VAL 20 CO 0.23 0.06 2.26 -0.33 0.00 0.00 0.00 175.10 177.32 2kmn h GLU 21 N 2.45 0.00 -1.94 2.72 4.39 -2.03 -3.43 114.58 116.74 2kmn h GLU 21 Ca -0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2kmn h GLU 21 Cb 1.24 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.67 2kmn h GLU 21 CO 0.62 0.02 0.18 -2.00 -1.16 0.00 0.00 179.01 176.66 2kmn s GLU 22 N -4.39 0.79 -0.25 2.33 2.12 -1.26 -5.14 118.70 112.90 2kmn s GLU 22 Ca -0.04 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 55.94 2kmn s GLU 22 Cb 0.14 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.92 2kmn s GLU 22 CO 0.51 -0.09 1.08 0.08 -0.54 0.00 0.00 175.26 176.29 2kmn s VAL 23 N 0.38 4.58 0.39 3.70 1.01 -1.26 -5.01 120.40 124.19 2kmn s VAL 23 Ca 0.00 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.92 2kmn s VAL 23 Cb -0.05 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2kmn s VAL 23 CO -0.00 -0.27 0.43 0.59 0.00 0.00 0.00 175.10 175.85 2kmn n ASN 24 N 6.54 1.78 0.23 3.32 3.02 -1.26 -4.90 115.26 123.98 2kmn n ASN 24 Ca 0.12 -2.16 0.09 0.00 -0.03 0.00 0.00 54.58 52.60 2kmn n ASN 24 Cb 0.46 -0.18 0.52 0.00 -0.61 0.00 0.00 39.78 39.97 2kmn n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kmn h ALA 25 N 0.44 1.15 -0.03 5.41 0.00 -1.98 0.39 119.26 124.63 2kmn h ALA 25 Ca -0.21 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 2kmn h ALA 25 Cb 0.86 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kmn h ALA 25 CO 0.31 0.30 -0.66 0.93 0.00 0.00 0.00 179.25 180.13 2kmn h GLU 26 N 0.00 0.50 -0.68 0.00 4.39 -1.99 -2.35 114.58 114.45 2kmn h GLU 26 Ca -0.00 -0.50 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 2kmn h GLU 26 Cb 0.62 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2kmn h GLU 26 CO 0.03 1.13 0.12 0.82 -1.16 0.00 0.00 179.01 179.96 2kmn h ILE 27 N 0.06 1.26 -0.64 3.13 2.04 -1.79 -2.24 117.51 119.34 2kmn h ILE 27 Ca -0.07 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 2kmn h ILE 27 Cb 1.34 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2kmn h ILE 27 CO 0.13 0.39 0.12 1.56 0.00 0.00 0.00 178.15 180.35 2kmn h GLN 28 N 1.05 1.05 -0.78 2.37 1.08 -0.25 -2.31 115.11 117.32 2kmn h GLN 28 Ca 0.21 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2kmn h GLN 28 Cb 0.43 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 2kmn h GLN 28 CO 0.01 0.96 0.40 0.00 -0.95 0.00 0.00 178.83 179.25 2kmn h ARG 29 N 0.96 1.10 -0.18 1.46 2.47 -1.23 -0.37 114.38 118.58 2kmn h ARG 29 Ca 0.20 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 2kmn h ARG 29 Cb 0.41 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 2kmn h ARG 29 CO 0.01 0.83 0.03 0.82 0.56 0.00 0.00 179.97 182.21 2kmn h ILE 30 N 1.10 0.91 -0.42 2.04 2.04 -0.93 -1.98 117.51 120.26 2kmn h ILE 30 Ca 0.27 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.99 2kmn h ILE 30 Cb 0.07 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2kmn h ILE 30 CO -0.04 0.02 -0.16 0.58 0.00 0.00 0.00 178.15 178.55 2kmn h VAL 31 N 0.10 1.28 -0.59 1.67 2.07 -1.10 -1.06 116.25 118.61 2kmn h VAL 31 Ca 0.08 -1.29 0.09 0.00 0.82 0.00 0.00 66.70 66.41 2kmn h VAL 31 Cb 0.08 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 2kmn h VAL 31 CO -0.12 0.43 0.21 0.44 0.02 0.00 0.00 177.57 178.55 2kmn h ASP 32 N 0.66 0.19 0.76 0.57 3.32 -0.84 0.28 116.42 121.36 2kmn h ASP 32 Ca 0.10 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 2kmn h ASP 32 Cb 0.71 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2kmn h ASP 32 CO 0.05 0.12 -0.70 -2.24 -1.72 0.00 0.00 179.24 174.75 2kmn h ASP 33 N 0.38 0.00 -0.29 6.45 3.04 -1.34 -2.57 116.42 122.09 2kmn h ASP 33 Ca 0.30 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.09 2kmn h ASP 33 Cb 0.38 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.65 2kmn h ASP 33 CO -0.31 0.70 0.17 0.24 -2.04 0.00 0.00 179.24 178.00 2kmn h MET 34 N 0.00 0.39 -0.07 4.15 2.86 0.40 0.78 114.93 123.44 2kmn h MET 34 Ca -0.01 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2kmn h MET 34 Cb 1.27 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kmn h MET 34 CO 0.09 0.32 -0.11 0.27 1.06 0.00 0.00 176.91 178.54 2kmn h PHE 35 N 0.36 0.24 -0.92 -0.22 -5.15 -1.40 0.12 116.94 109.97 2kmn h PHE 35 Ca 0.10 -0.08 0.18 0.00 -0.20 0.00 0.00 57.97 57.97 2kmn h PHE 35 Cb 0.03 -0.05 -0.11 0.00 0.22 0.00 0.00 35.95 36.05 2kmn h PHE 35 CO -0.04 0.69 0.50 0.93 -2.00 0.00 0.00 178.31 178.38 2kmn h GLU 36 N -0.27 0.61 0.48 6.09 4.39 -1.27 0.23 114.58 124.83 2kmn h GLU 36 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2kmn h GLU 36 Cb 0.66 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2kmn h GLU 36 CO 0.02 0.40 -0.23 1.15 -1.16 0.00 0.00 179.01 179.20 2kmn h THR 37 N 0.62 0.00 -1.01 1.13 2.02 0.68 -2.16 112.91 114.20 2kmn h THR 37 Ca 0.53 -0.50 0.28 0.00 0.77 0.00 0.00 66.41 67.49 2kmn h THR 37 Cb 0.85 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.13 2kmn h THR 37 CO -0.41 0.00 0.60 -0.03 0.37 0.00 0.00 175.52 176.05 2kmn h MET 38 N -1.15 0.46 -0.26 6.66 1.85 0.49 1.38 114.93 124.36 2kmn h MET 38 Ca -0.07 -0.03 -0.14 0.00 -0.61 0.00 0.00 59.70 58.86 2kmn h MET 38 Cb 0.49 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.42 2kmn h MET 38 CO 0.11 0.31 -0.39 1.88 -0.40 0.00 0.00 176.91 178.42 2kmn h TYR 39 N 0.47 0.89 0.00 1.39 0.05 -0.69 0.67 116.97 119.76 2kmn h TYR 39 Ca 0.68 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 2kmn h TYR 39 Cb 1.42 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 2kmn h TYR 39 CO -0.01 1.07 -0.02 0.00 -1.05 0.00 0.00 178.16 178.15 2kmn h ALA 40 N 0.66 1.49 0.00 3.88 0.00 0.21 1.13 119.26 126.63 2kmn h ALA 40 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmn h ALA 40 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kmn h ALA 40 CO 0.09 0.03 -0.38 -1.91 0.00 0.00 0.00 179.25 177.08 2kmn n GLU 41 N -3.82 0.04 -1.80 0.00 4.07 0.25 -4.91 120.64 114.48 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 -1.53 -0.05 0.00 -0.06 0.00 0.00 31.44 29.91 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.59 -1.25 -2.69 5.31 -0.58 0.39 -4.97 120.64 115.26 2kmn n GLU 42 Ca 0.06 1.00 -0.40 0.00 -0.42 0.00 0.00 57.16 57.40 2kmn n GLU 42 Cb 0.35 -5.31 -0.06 0.00 -0.57 0.00 0.00 31.44 25.86 2kmn n GLU 42 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2kmn s GLY 43 N -2.61 3.05 0.00 0.62 0.00 0.22 -4.93 107.32 103.67 2kmn s GLY 43 Ca 0.00 0.67 0.30 0.00 0.00 0.00 0.00 44.72 45.69 2kmn s GLY 43 CO 0.00 1.23 2.10 1.39 0.00 0.00 0.00 173.10 177.81 2kmn n ILE 44 N 1.25 0.01 0.00 0.90 2.08 -1.26 -4.36 119.36 117.97 2kmn n ILE 44 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2kmn n ILE 44 Cb 0.47 -0.54 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 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 0.90 1.38 3.09 7.39 0.00 -1.26 0.21 105.19 116.90 2kmn n GLY 45 Ca 0.21 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 2kmn n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kmn s LEU 46 N 0.00 1.87 -0.13 0.99 0.20 -0.16 -4.92 118.68 116.53 2kmn s LEU 46 Ca 0.00 -0.30 -0.11 0.00 0.69 0.00 0.00 54.13 54.41 2kmn s LEU 46 Cb 0.00 -0.84 -0.05 0.00 -0.43 0.00 0.00 46.19 44.88 2kmn s LEU 46 CO 0.00 0.12 0.24 0.00 -0.29 0.00 0.00 176.35 176.42 2kmn s ALA 47 N 0.10 3.70 0.13 5.97 0.00 -1.26 -1.70 121.76 128.69 2kmn s ALA 47 Ca -0.04 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 2kmn s ALA 47 Cb -0.11 -2.24 0.15 0.00 0.00 0.00 0.00 23.12 20.92 2kmn s ALA 47 CO 0.02 0.30 0.86 0.00 0.00 0.00 0.00 175.76 176.94 2kmn n ALA 48 N 2.88 -0.05 -0.22 0.00 0.00 0.17 0.11 120.51 123.41 2kmn n ALA 48 Ca -0.15 0.56 0.16 0.00 0.00 0.00 0.00 53.44 54.01 2kmn n ALA 48 Cb 0.53 -0.26 0.47 0.00 0.00 0.00 0.00 19.45 20.19 2kmn n ALA 48 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kmn h THR 49 N 0.00 0.76 -0.61 0.00 1.35 -1.74 0.22 112.91 112.89 2kmn h THR 49 Ca 0.20 -0.17 -0.05 0.00 -0.55 0.00 0.00 66.41 65.84 2kmn h THR 49 Cb 0.34 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 66.97 2kmn h THR 49 CO -0.55 0.09 0.18 1.56 -0.25 0.00 0.00 175.52 176.54 2kmn h GLN 50 N 0.49 0.95 -0.63 4.72 4.20 0.57 -1.86 115.11 123.54 2kmn h GLN 50 Ca 0.43 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2kmn h GLN 50 Cb 0.93 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.58 2kmn h GLN 50 CO -0.17 0.85 0.00 1.33 -0.67 0.00 0.00 178.83 180.18 2kmn n VAL 51 N -4.38 0.51 -2.10 -0.54 0.24 0.62 -0.17 118.33 112.52 2kmn n VAL 51 Ca 0.03 -0.30 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 2kmn n VAL 51 Cb 0.22 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.35 2kmn n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kmn n ASP 52 N 0.10 -2.15 -4.00 -1.34 2.03 -0.70 -4.53 116.55 105.96 2kmn n ASP 52 Ca 0.06 -0.01 -0.31 0.00 0.52 0.00 0.00 54.79 55.06 2kmn n ASP 52 Cb 0.36 -1.54 -0.15 0.00 -0.72 0.00 0.00 41.12 39.07 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 -2.25 1.76 -1.29 5.18 -5.25 -0.26 -4.97 121.20 114.12 2kmn s ILE 53 Ca 0.00 -1.28 -0.11 0.00 -0.99 0.00 0.00 60.65 58.27 2kmn s ILE 53 Cb -0.00 -1.92 -0.06 0.00 2.95 0.00 0.00 42.46 43.43 2kmn s ILE 53 CO 0.00 0.00 2.47 0.00 -1.79 0.00 0.00 174.94 175.63 2kmn n HIS 54 N 4.60 2.22 -3.71 1.37 1.44 -1.26 -2.74 115.22 117.14 2kmn n HIS 54 Ca -0.13 -2.59 -0.12 0.00 -2.01 0.00 0.00 57.72 52.87 2kmn n HIS 54 Cb 0.44 -2.17 -0.10 0.00 0.12 0.00 0.00 29.99 28.28 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 3.02 0.45 -0.37 -1.40 -0.21 -1.26 -3.96 119.66 115.93 2kmn s GLN 55 Ca 0.55 0.71 -0.27 0.00 0.02 0.00 0.00 55.36 56.37 2kmn s GLN 55 Cb 0.15 0.11 -0.28 0.00 1.00 0.00 0.00 33.01 33.98 2kmn s GLN 55 CO -0.04 -0.11 1.75 0.54 -2.12 0.00 0.00 175.29 175.31 2kmn n ARG 56 N 3.58 0.62 -4.11 2.91 1.74 -0.56 -4.50 116.66 116.34 2kmn n ARG 56 Ca -0.18 -1.39 -0.34 0.00 -0.77 0.00 0.00 57.85 55.16 2kmn n ARG 56 Cb 0.56 -2.76 -0.14 0.00 -1.02 0.00 0.00 32.46 29.11 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 6.83 3.36 0.03 0.55 -1.09 -1.26 0.11 121.20 129.73 2kmn s ILE 57 Ca 0.65 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 58.62 2kmn s ILE 57 Cb 0.13 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.49 2kmn s ILE 57 CO 0.25 0.45 -0.19 0.27 -1.23 0.00 0.00 174.94 174.49 2kmn s ILE 58 N 1.17 1.50 -0.03 2.92 -5.25 -0.25 0.45 121.20 121.71 2kmn s ILE 58 Ca 0.02 -1.08 0.04 0.00 -0.99 0.00 0.00 60.65 58.64 2kmn s ILE 58 Cb -0.14 -1.30 -0.01 0.00 2.95 0.00 0.00 42.46 43.96 2kmn s ILE 58 CO -0.01 0.19 -0.16 0.68 -1.79 0.00 0.00 174.94 173.84 2kmn s VAL 59 N -0.75 1.31 0.11 8.37 -7.23 -0.69 -0.61 120.40 120.91 2kmn s VAL 59 Ca 0.06 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 2kmn s VAL 59 Cb -0.08 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2kmn s VAL 59 CO 0.01 0.38 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.41 2kmn s ILE 60 N -0.10 3.08 -0.03 -0.62 -1.09 0.29 -0.98 121.20 121.75 2kmn s ILE 60 Ca 0.00 -1.40 0.19 0.00 -2.23 0.00 0.00 60.65 57.22 2kmn s ILE 60 Cb -0.09 -2.43 0.34 0.00 -1.58 0.00 0.00 42.46 38.70 2kmn s ILE 60 CO 0.01 0.10 1.14 -0.67 -1.23 0.00 0.00 174.94 174.30 2kmn n ASP 61 N 0.75 0.93 -4.51 3.58 2.03 0.56 -0.79 116.55 119.09 2kmn n ASP 61 Ca -0.15 -2.23 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 2kmn n ASP 61 Cb 0.52 -0.31 -0.09 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.42 5.09 -0.05 5.18 1.01 -0.93 -4.68 120.40 125.60 2kmn s VAL 62 Ca 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2kmn s VAL 62 Cb 0.31 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2kmn s VAL 62 CO -0.12 -0.33 0.95 -1.54 0.00 0.00 0.00 175.10 174.06 2kmn n SER 63 N 5.58 -1.78 0.23 3.32 3.41 -1.26 -4.67 113.62 118.46 2kmn n SER 63 Ca -0.07 -1.23 0.16 0.00 -0.26 0.00 0.00 58.87 57.46 2kmn n SER 63 Cb 0.48 -0.54 0.63 0.00 -0.26 0.00 0.00 64.21 64.52 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 8.21 0.00 0.00 4.33 4.81 -1.92 -3.47 114.58 126.54 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 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2kmn h GLU 64 CO 0.93 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.50 2kmn n ASN 65 N -2.84 1.15 0.06 1.04 2.85 -1.26 -5.06 115.26 111.19 2kmn n ASN 65 Ca 0.01 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.41 2kmn n ASN 65 Cb 0.29 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.26 2kmn n ASN 65 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2kmn h ARG 66 N 0.00 -0.25 -5.37 1.20 3.08 -2.01 -3.44 114.38 107.59 2kmn h ARG 66 Ca 0.00 0.02 -0.60 0.00 0.07 0.00 0.00 59.98 59.46 2kmn h ARG 66 Cb 0.00 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 29.99 2kmn h ARG 66 CO 0.00 0.02 -0.28 -0.51 -1.07 0.00 0.00 179.97 178.13 2kmn s ASP 67 N -5.36 6.37 -0.11 7.04 1.01 -1.26 -5.06 116.67 119.31 2kmn s ASP 67 Ca -0.08 0.43 -0.28 0.00 0.71 0.00 0.00 52.55 53.33 2kmn s ASP 67 Cb 0.00 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 2kmn s ASP 67 CO 0.29 -0.02 0.93 -1.61 0.21 0.00 0.00 175.17 174.97 2kmn s GLU 68 N 1.13 4.40 0.00 8.23 2.02 -1.26 -4.73 118.70 128.50 2kmn s GLU 68 Ca 0.16 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.41 2kmn s GLU 68 Cb -0.14 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.55 2kmn s GLU 68 CO 0.07 -0.26 0.00 -2.13 0.02 0.00 0.00 175.26 172.95 2kmn n ARG 69 N 4.87 0.00 -3.95 1.61 0.63 -1.26 -5.06 116.66 113.50 2kmn n ARG 69 Ca 0.07 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.65 2kmn n ARG 69 Cb 0.49 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.31 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 3.98 -0.03 6.15 1.43 0.03 -5.00 118.68 125.25 2kmn s LEU 70 Ca 0.00 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2kmn s LEU 70 Cb 0.00 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2kmn s LEU 70 CO 0.00 0.23 -0.05 0.54 0.23 0.00 0.00 176.35 177.30 2kmn s VAL 71 N 0.04 0.49 -0.00 -1.59 0.11 -1.26 0.10 120.40 118.29 2kmn s VAL 71 Ca 0.07 -0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2kmn s VAL 71 Cb -0.12 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2kmn s VAL 71 CO 0.00 0.18 0.01 -0.76 -3.33 0.00 0.00 175.10 171.21 2kmn s LEU 72 N 0.45 1.97 -0.08 2.54 1.02 0.22 -4.34 118.68 120.48 2kmn s LEU 72 Ca -0.06 -0.08 0.05 0.00 0.02 0.00 0.00 54.13 54.07 2kmn s LEU 72 Cb -0.09 0.10 -0.01 0.00 0.02 0.00 0.00 46.19 46.21 2kmn s LEU 72 CO -0.00 -0.08 -0.25 -0.63 0.02 0.00 0.00 176.35 175.41 2kmn s ILE 73 N -0.35 2.06 -1.45 -0.59 1.09 0.45 -1.09 121.20 121.34 2kmn s ILE 73 Ca -0.04 -1.05 -0.10 0.00 -1.10 0.00 0.00 60.65 58.37 2kmn s ILE 73 Cb -0.02 -1.76 0.05 0.00 -1.06 0.00 0.00 42.46 39.67 2kmn s ILE 73 CO -0.00 0.57 0.73 0.59 -0.10 0.00 0.00 174.94 176.72 2kmn n ASN 74 N 3.19 -4.92 -4.65 3.58 3.02 0.31 -1.87 115.26 113.92 2kmn n ASN 74 Ca -0.18 -0.50 -0.37 0.00 -0.03 0.00 0.00 54.58 53.50 2kmn n ASN 74 Cb 0.52 -3.98 0.06 0.00 -0.61 0.00 0.00 39.78 35.78 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2kmn n PRO 75 N -4.21 0.91 -3.99 3.52 -0.02 -1.25 -4.75 135.00 125.21 2kmn n PRO 75 Ca -0.02 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2kmn n PRO 75 Cb 0.56 -2.28 -0.13 0.00 -0.02 0.00 0.00 33.50 31.63 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 -3.00 0.24 0.12 -0.52 -1.05 0.27 -4.94 118.70 109.82 2kmn s GLU 76 Ca 0.78 -0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 55.05 2kmn s GLU 76 Cb -0.40 -0.12 -0.06 0.00 -0.44 0.00 0.00 34.13 33.11 2kmn s GLU 76 CO 0.45 0.03 0.95 -1.17 0.95 0.00 0.00 175.26 176.46 2kmn s LEU 77 N -0.50 4.51 -0.13 1.83 0.20 -1.26 -0.21 118.68 123.12 2kmn s LEU 77 Ca -0.04 1.79 0.01 0.00 0.69 0.00 0.00 54.13 56.58 2kmn s LEU 77 Cb -0.04 -3.57 -0.09 0.00 -0.43 0.00 0.00 46.19 42.07 2kmn s LEU 77 CO -0.00 -0.04 -0.12 0.18 -0.29 0.00 0.00 176.35 176.08 2kmn n LEU 78 N 2.65 2.91 -3.58 -0.68 4.32 0.60 -4.91 117.00 118.30 2kmn n LEU 78 Ca 0.02 -0.06 -0.14 0.00 -0.02 0.00 0.00 56.01 55.81 2kmn n LEU 78 Cb 0.49 -0.46 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 2kmn n LEU 78 CO 0.51 0.71 0.27 -0.70 -1.22 0.00 0.00 177.39 176.95 2kmn s GLU 79 N -2.27 1.02 0.00 3.23 2.12 -0.74 -4.94 118.70 117.13 2kmn s GLU 79 Ca -0.18 -0.24 -0.11 0.00 0.36 0.00 0.00 54.97 54.80 2kmn s GLU 79 Cb 0.05 0.47 0.01 0.00 0.26 0.00 0.00 34.13 34.92 2kmn s GLU 79 CO 0.31 -0.37 0.24 -1.59 -0.54 0.00 0.00 175.26 173.30 2kmn s LYS 80 N -2.42 0.62 -0.12 4.30 -2.85 -1.26 -0.92 119.74 117.10 2kmn s LYS 80 Ca -0.05 -0.35 -0.29 0.00 -1.00 0.00 0.00 55.97 54.27 2kmn s LYS 80 Cb -0.01 0.27 0.07 0.00 -2.06 0.00 0.00 37.83 36.10 2kmn s LYS 80 CO -0.02 -0.17 0.70 0.45 0.10 0.00 0.00 175.35 176.42 2kmn s SER 81 N -1.52 -0.68 0.15 0.03 0.15 0.20 -4.95 113.70 107.09 2kmn s SER 81 Ca -0.12 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2kmn s SER 81 Cb -0.05 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2kmn s SER 81 CO 0.02 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2kmn n GLY 82 N 1.42 -2.70 2.73 9.45 0.00 -1.26 0.11 105.19 114.94 2kmn n GLY 82 Ca -0.17 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 2kmn n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kmn s GLU 83 N -3.16 0.54 0.29 1.61 2.12 -1.26 -0.00 118.70 118.83 2kmn s GLU 83 Ca 0.00 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.21 2kmn s GLU 83 Cb 0.00 -1.69 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 2kmn s GLU 83 CO 0.00 -0.54 0.25 0.95 -0.54 0.00 0.00 175.26 175.39 2kmn s THR 84 N 1.94 4.05 -0.17 -1.70 -4.23 0.21 -4.83 115.64 110.91 2kmn s THR 84 Ca 0.01 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2kmn s THR 84 Cb -0.15 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.45 2kmn s THR 84 CO -0.07 -0.27 0.32 -0.83 -0.54 0.00 0.00 174.62 173.24 2kmn s GLY 85 N -3.92 -0.22 -0.11 3.99 0.00 -1.26 -0.89 107.32 104.91 2kmn s GLY 85 Ca 0.37 1.08 -0.10 0.00 0.00 0.00 0.00 44.72 46.07 2kmn s GLY 85 CO 0.26 2.19 0.29 -0.42 0.00 0.00 0.00 173.10 175.43 2kmn s ILE 86 N 2.49 0.00 0.20 0.90 -1.09 -1.19 -4.89 121.20 117.63 2kmn s ILE 86 Ca 0.02 -0.01 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 2kmn s ILE 86 Cb -0.13 -0.42 -0.09 0.00 -1.58 0.00 0.00 42.46 40.25 2kmn s ILE 86 CO -0.11 -0.01 1.24 -1.61 -1.23 0.00 0.00 174.94 173.23 2kmn s GLU 87 N 0.11 4.45 0.14 2.79 8.01 -1.26 -2.19 118.70 130.75 2kmn s GLU 87 Ca -0.00 1.96 -0.14 0.00 0.01 0.00 0.00 54.97 56.79 2kmn s GLU 87 Cb -0.02 -3.21 0.02 0.00 -4.31 0.00 0.00 34.13 26.61 2kmn s GLU 87 CO 0.00 -0.14 0.37 -1.21 0.01 0.00 0.00 175.26 174.30 2kmn s GLU 88 N -0.35 1.09 0.32 1.61 2.02 -0.27 -4.81 118.70 118.31 2kmn s GLU 88 Ca 0.54 -0.82 0.09 0.00 0.02 0.00 0.00 54.97 54.79 2kmn s GLU 88 Cb -0.35 0.45 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 2kmn s GLU 88 CO 0.38 -0.42 -0.10 0.20 0.02 0.00 0.00 175.26 175.34 2kmn s GLY 89 N -2.84 2.07 -0.03 -1.39 0.00 -1.26 -0.23 107.32 103.63 2kmn s GLY 89 Ca 0.06 -2.02 0.04 0.00 0.00 0.00 0.00 44.72 42.79 2kmn s GLY 89 CO -0.09 -1.98 -0.13 0.00 0.00 0.00 0.00 173.10 170.90 2kmn h LEU 91 N 5.11 0.00 0.03 0.00 -0.00 -1.92 0.87 115.31 119.40 2kmn h LEU 91 Ca -0.47 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.14 2kmn h LEU 91 Cb 1.16 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.79 2kmn h LEU 91 CO 0.51 0.00 -1.43 0.28 -0.00 0.00 0.00 178.44 177.80 2kmn h SER 92 N 0.00 0.10 -3.70 -0.43 0.02 -1.88 -3.45 113.55 104.21 2kmn h SER 92 Ca 0.32 -0.15 -0.50 0.00 -0.84 0.00 0.00 61.79 60.63 2kmn h SER 92 Cb 1.59 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 64.07 2kmn h SER 92 CO -0.00 1.13 0.12 -0.63 -1.14 0.00 0.00 176.83 176.30 2kmn s ILE 93 N -2.64 4.62 0.00 3.27 1.01 0.30 -0.99 121.20 126.77 2kmn s ILE 93 Ca -0.04 1.10 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 2kmn s ILE 93 Cb 0.08 -3.69 -0.22 0.00 0.01 0.00 0.00 42.46 38.64 2kmn s ILE 93 CO 0.83 -0.07 3.04 -0.81 0.00 0.00 0.00 174.94 177.93 2kmn n PRO 94 N -0.04 1.63 -1.02 2.79 -0.04 -1.26 -4.46 135.00 132.60 2kmn n PRO 94 Ca 0.02 -0.80 -0.01 0.00 -0.04 0.00 0.00 63.50 62.67 2kmn n PRO 94 Cb 0.52 -1.89 -0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.56 -0.22 -2.51 0.54 4.71 -1.26 -4.96 120.64 119.50 2kmn n GLU 95 Ca 0.35 0.17 -0.40 0.00 -0.01 0.00 0.00 57.16 57.27 2kmn n GLU 95 Cb 0.75 -3.44 -0.03 0.00 -1.01 0.00 0.00 31.44 27.71 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 -0.66 3.57 -0.00 3.49 -0.21 -1.26 -4.84 119.66 119.74 2kmn s GLN 96 Ca 0.00 -1.23 -0.24 0.00 0.02 0.00 0.00 55.36 53.91 2kmn s GLN 96 Cb 0.00 -5.37 -0.05 0.00 1.00 0.00 0.00 33.01 28.59 2kmn s GLN 96 CO 0.00 -2.35 0.73 1.03 -2.12 0.00 0.00 175.29 172.58 2kmn s ARG 97 N 5.02 4.46 0.09 2.91 0.52 -1.25 -4.56 118.95 126.13 2kmn s ARG 97 Ca 0.50 0.98 0.03 0.00 -0.52 0.00 0.00 55.73 56.72 2kmn s ARG 97 Cb 0.00 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2kmn s ARG 97 CO -0.05 0.21 -0.09 0.00 0.02 0.00 0.00 175.30 175.38 2kmn s ALA 98 N 0.26 0.99 -0.38 2.13 0.00 0.68 -4.62 121.76 120.82 2kmn s ALA 98 Ca 0.38 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 2kmn s ALA 98 Cb -0.19 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2kmn s ALA 98 CO 0.21 -0.05 1.30 -1.17 0.00 0.00 0.00 175.76 176.04 2kmn s LEU 99 N -2.33 3.72 -0.17 0.00 0.20 -1.26 -1.11 118.68 117.72 2kmn s LEU 99 Ca 0.03 0.91 -0.09 0.00 0.69 0.00 0.00 54.13 55.67 2kmn s LEU 99 Cb -0.03 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.14 2kmn s LEU 99 CO -0.01 -1.24 0.14 0.54 -0.29 0.00 0.00 176.35 175.50 2kmn s VAL 100 N 4.75 5.44 -0.13 1.68 0.11 -0.93 -4.76 120.40 126.55 2kmn s VAL 100 Ca 0.56 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.59 2kmn s VAL 100 Cb -0.13 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 2kmn s VAL 100 CO 0.28 0.49 0.69 -2.16 -3.33 0.00 0.00 175.10 171.08 2kmn s PRO 101 N -0.07 4.33 0.19 1.54 0.04 -1.26 -3.15 135.00 136.61 2kmn s PRO 101 Ca 0.10 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 61.88 2kmn s PRO 101 Cb -0.11 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2kmn s PRO 101 CO 0.00 -0.12 0.26 -0.98 0.04 0.00 0.00 177.00 176.20 2kmn s ARG 102 N 1.45 1.23 0.70 4.56 3.03 -0.07 -4.98 118.95 124.87 2kmn s ARG 102 Ca 0.34 -1.35 -0.14 0.00 2.03 0.00 0.00 55.73 56.61 2kmn s ARG 102 Cb -0.17 0.35 0.02 0.00 -1.03 0.00 0.00 34.95 34.13 2kmn s ARG 102 CO 0.14 -0.45 1.12 0.00 -1.13 0.00 0.00 175.30 174.98 2kmn s ALA 103 N -4.04 2.35 0.07 7.88 0.00 -1.25 0.64 121.76 127.41 2kmn s ALA 103 Ca 0.25 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 2kmn s ALA 103 Cb 0.04 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 2kmn s ALA 103 CO 0.06 -1.49 1.27 1.49 0.00 0.00 0.00 175.76 177.09 2kmn h GLU 104 N -0.26 0.65 -3.70 0.00 4.81 0.46 -3.40 114.58 113.13 2kmn h GLU 104 Ca -0.46 -0.52 -0.22 0.00 -0.13 0.00 0.00 59.36 58.03 2kmn h GLU 104 Cb 1.25 0.11 -0.27 0.00 0.63 0.00 0.00 28.75 30.47 2kmn h GLU 104 CO 0.53 1.14 -0.69 0.15 -0.73 0.00 0.00 179.01 179.41 2kmn s LYS 105 N -3.72 0.06 -0.13 1.92 1.02 0.76 -1.06 119.74 118.58 2kmn s LYS 105 Ca -0.12 -0.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.73 2kmn s LYS 105 Cb 0.07 0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2kmn s LYS 105 CO 0.86 -0.01 0.33 0.14 -0.92 0.00 0.00 175.35 175.76 2kmn s VAL 106 N -0.14 -0.00 -0.19 3.17 -7.23 0.28 0.59 120.40 116.88 2kmn s VAL 106 Ca -0.02 0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 2kmn s VAL 106 Cb -0.01 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 2kmn s VAL 106 CO -0.00 0.01 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.25 2kmn s LYS 107 N 0.31 3.66 0.07 4.82 -0.14 -0.10 0.58 119.74 128.94 2kmn s LYS 107 Ca -0.01 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 54.11 2kmn s LYS 107 Cb -0.03 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2kmn s LYS 107 CO -0.01 0.09 -0.07 0.96 -0.76 0.00 0.00 175.35 175.56 2kmn s ILE 108 N 0.78 0.62 -0.13 2.17 -5.25 0.92 -0.30 121.20 120.01 2kmn s ILE 108 Ca 0.00 -1.49 -0.07 0.00 -0.99 0.00 0.00 60.65 58.11 2kmn s ILE 108 Cb -0.14 -1.12 -0.04 0.00 2.95 0.00 0.00 42.46 44.11 2kmn s ILE 108 CO 0.02 -0.62 0.11 -0.13 -1.79 0.00 0.00 174.94 172.54 2kmn s ARG 109 N -2.65 3.50 0.27 0.37 0.52 0.71 -0.39 118.95 121.28 2kmn s ARG 109 Ca 0.00 -0.20 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 2kmn s ARG 109 Cb -0.03 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.31 2kmn s ARG 109 CO -0.02 0.67 0.69 0.00 0.02 0.00 0.00 175.30 176.66 2kmn s ALA 110 N -0.73 -1.17 0.20 2.13 0.00 0.74 0.96 121.76 123.90 2kmn s ALA 110 Ca 0.13 -0.31 0.11 0.00 0.00 0.00 0.00 51.96 51.89 2kmn s ALA 110 Cb -0.12 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2kmn s ALA 110 CO 0.03 -1.01 -0.21 -0.48 0.00 0.00 0.00 175.76 174.09 2kmn s LEU 111 N -2.92 2.55 0.50 0.00 0.05 -0.78 0.18 118.68 118.26 2kmn s LEU 111 Ca 0.11 -0.83 -0.04 0.00 0.05 0.00 0.00 54.13 53.43 2kmn s LEU 111 Cb -0.05 -1.26 -0.01 0.00 -2.05 0.00 0.00 46.19 42.82 2kmn s LEU 111 CO 0.06 0.11 0.77 -0.62 -0.55 0.00 0.00 176.35 176.12 2kmn s ASP 112 N -2.77 5.95 0.36 1.48 2.15 -0.98 0.17 116.67 123.02 2kmn s ASP 112 Ca 0.22 0.66 0.17 0.00 0.43 0.00 0.00 52.55 54.03 2kmn s ASP 112 Cb -0.08 -1.88 0.94 0.00 -0.30 0.00 0.00 42.92 41.60 2kmn s ASP 112 CO 0.11 -0.73 1.47 -0.09 -0.17 0.00 0.00 175.17 175.75 2kmn h ARG 113 N 0.19 0.00 0.00 4.34 2.43 -1.93 0.46 114.38 119.87 2kmn h ARG 113 Ca -0.47 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.52 2kmn h ARG 113 Cb 1.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2kmn h ARG 113 CO 0.60 0.00 -0.90 -0.44 -1.51 0.00 0.00 179.97 177.72 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.95 -3.48 116.42 110.51 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 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kmn h ASP 114 CO 0.00 0.90 0.00 0.61 -1.72 0.00 0.00 179.24 179.03 2kmn n GLY 115 N 1.19 1.59 2.83 2.75 0.00 0.16 -5.11 105.19 108.59 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 -0.32 1.02 -0.22 1.61 1.02 -1.25 -4.91 119.74 116.70 2kmn s LYS 116 Ca 0.00 -1.15 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2kmn s LYS 116 Cb 0.00 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2kmn s LYS 116 CO 0.00 -0.87 1.40 -2.14 -0.92 0.00 0.00 175.35 172.82 2kmn s PRO 117 N 1.46 3.99 0.27 -1.68 0.02 -1.26 -2.32 135.00 135.48 2kmn s PRO 117 Ca 0.06 1.55 0.05 0.00 0.02 0.00 0.00 61.00 62.68 2kmn s PRO 117 Cb -0.18 -3.90 -0.06 0.00 0.02 0.00 0.00 34.50 30.39 2kmn s PRO 117 CO -0.17 -1.03 -0.01 -0.59 -0.33 0.00 0.00 177.00 174.88 2kmn s PHE 118 N 4.32 1.81 -0.15 6.54 -0.12 0.48 -4.88 117.98 125.98 2kmn s PHE 118 Ca 0.61 -0.85 -0.04 0.00 -0.05 0.00 0.00 56.93 56.60 2kmn s PHE 118 Cb -0.22 -1.08 -0.03 0.00 -0.63 0.00 0.00 43.02 41.06 2kmn s PHE 118 CO 0.23 0.09 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.26 2kmn s GLU 119 N -3.82 3.59 0.01 1.99 2.02 -1.26 -0.18 118.70 121.04 2kmn s GLU 119 Ca 0.31 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.88 2kmn s GLU 119 Cb 0.06 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 2kmn s GLU 119 CO 0.12 0.34 -0.14 -0.48 0.02 0.00 0.00 175.26 175.12 2kmn s LEU 120 N 0.11 2.07 -0.23 1.80 2.34 0.48 -4.98 118.68 120.28 2kmn s LEU 120 Ca 0.01 -0.31 -0.15 0.00 0.06 0.00 0.00 54.13 53.73 2kmn s LEU 120 Cb -0.13 -0.67 -0.04 0.00 -0.56 0.00 0.00 46.19 44.79 2kmn s LEU 120 CO 0.02 0.13 0.37 -1.83 -1.06 0.00 0.00 176.35 173.98 2kmn s GLU 121 N -0.58 4.11 -0.08 1.48 -1.05 -1.26 -0.05 118.70 121.26 2kmn s GLU 121 Ca 0.04 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 55.01 2kmn s GLU 121 Cb -0.06 -3.58 -0.02 0.00 -0.44 0.00 0.00 34.13 30.03 2kmn s GLU 121 CO 0.00 -0.12 -0.17 0.00 0.95 0.00 0.00 175.26 175.93 2kmn s ALA 122 N 1.56 2.50 0.24 -0.84 0.00 0.20 -4.94 121.76 120.48 2kmn s ALA 122 Ca 0.17 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.23 2kmn s ALA 122 Cb -0.15 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 2kmn s ALA 122 CO 0.08 0.40 -0.10 -0.51 0.00 0.00 0.00 175.76 175.63 2kmn s ASP 123 N -0.16 2.61 0.72 0.00 1.01 -1.26 0.10 116.67 119.68 2kmn s ASP 123 Ca -0.01 -1.10 0.00 0.00 0.71 0.00 0.00 52.55 52.15 2kmn s ASP 123 Cb -0.14 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.65 2kmn s ASP 123 CO 0.03 -0.26 0.00 0.61 0.21 0.00 0.00 175.17 175.77 2kmn n GLY 124 N -0.46 2.71 0.37 0.21 0.00 -0.23 -1.39 105.19 106.40 2kmn n GLY 124 Ca -0.07 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.54 0.10 0.99 3.38 -1.98 0.43 115.31 118.77 2kmn h LEU 125 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kmn h LEU 125 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2kmn h LEU 125 CO 0.00 0.29 -0.05 0.25 0.09 0.00 0.00 178.44 179.02 2kmn h LEU 126 N 0.58 -0.11 -0.99 1.67 7.12 -1.60 -2.26 115.31 119.72 2kmn h LEU 126 Ca 0.39 -0.42 0.04 0.00 0.13 0.00 0.00 57.88 58.02 2kmn h LEU 126 Cb 0.71 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.81 2kmn h LEU 126 CO -0.15 0.40 0.64 0.00 -0.13 0.00 0.00 178.44 179.21 2kmn h ALA 127 N 0.13 1.31 0.35 1.25 0.00 -0.54 -1.34 119.26 120.42 2kmn h ALA 127 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kmn h ALA 127 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kmn h ALA 127 CO 0.02 0.53 -0.17 0.82 0.00 0.00 0.00 179.25 180.46 2kmn h ILE 128 N 1.25 0.55 -0.06 0.00 1.08 -0.19 -2.11 117.51 118.02 2kmn h ILE 128 Ca 0.39 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2kmn h ILE 128 Cb 0.00 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2kmn h ILE 128 CO -0.13 0.11 -0.05 0.00 -0.69 0.00 0.00 178.15 177.39 2kmn h ILE 130 N -0.06 1.11 -0.47 0.00 2.10 -1.35 0.11 117.51 118.94 2kmn h ILE 130 Ca 0.04 -0.28 -0.14 0.00 1.08 0.00 0.00 64.86 65.56 2kmn h ILE 130 Cb 0.12 0.21 -0.01 0.00 -1.09 0.00 0.00 36.82 36.05 2kmn h ILE 130 CO -0.10 0.15 -0.24 0.06 -1.08 0.00 0.00 178.15 176.94 2kmn h GLN 131 N 0.82 1.00 -0.29 2.19 3.07 -1.08 -2.36 115.11 118.47 2kmn h GLN 131 Ca 0.26 -0.44 0.01 0.00 0.09 0.00 0.00 58.65 58.57 2kmn h GLN 131 Cb -0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.50 2kmn h GLN 131 CO -0.09 1.12 0.16 1.25 0.09 0.00 0.00 178.83 181.36 2kmn h HIS 132 N 0.85 0.31 -0.76 0.06 2.76 0.25 -2.06 115.15 116.56 2kmn h HIS 132 Ca 0.10 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2kmn h HIS 132 Cb 0.82 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.64 2kmn h HIS 132 CO 0.05 0.18 0.48 0.93 -1.30 0.00 0.00 177.93 178.27 2kmn h GLU 133 N 0.34 0.91 -0.37 5.26 4.39 -0.71 0.28 114.58 124.67 2kmn h GLU 133 Ca 0.11 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2kmn h GLU 133 Cb 0.00 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.41 2kmn h GLU 133 CO -0.05 0.60 0.15 0.52 -1.16 0.00 0.00 179.01 179.07 2kmn h MET 134 N 0.93 0.31 -0.14 2.33 2.86 -0.98 0.28 114.93 120.52 2kmn h MET 134 Ca 0.30 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2kmn h MET 134 Cb 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2kmn h MET 134 CO -0.11 0.20 0.06 -0.44 1.06 0.00 0.00 176.91 177.68 2kmn h ASP 135 N 0.32 0.19 0.18 1.22 5.19 -0.68 -2.17 116.42 120.66 2kmn h ASP 135 Ca 0.17 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2kmn h ASP 135 Cb 0.12 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2kmn h ASP 135 CO -0.15 0.28 -0.16 -0.74 -3.12 0.00 0.00 179.24 175.34 2kmn h HIS 136 N 0.09 -0.42 -0.27 4.55 2.76 0.06 0.19 115.15 122.11 2kmn h HIS 136 Ca 0.05 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 2kmn h HIS 136 Cb 0.14 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2kmn h HIS 136 CO -0.02 -0.25 0.18 1.37 -1.30 0.00 0.00 177.93 177.91 2kmn h LEU 137 N -0.36 0.17 -2.14 0.26 8.10 -0.43 0.22 115.31 121.12 2kmn h LEU 137 Ca -0.00 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.91 2kmn h LEU 137 Cb 0.34 -0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 40.48 2kmn h LEU 137 CO -0.03 0.11 0.09 0.55 -4.11 0.00 0.00 178.44 175.06 2kmn n VAL 138 N -4.49 1.20 -2.51 0.15 3.14 -0.82 -0.43 118.33 114.57 2kmn n VAL 138 Ca 0.02 -0.46 -0.17 0.00 -2.96 0.00 0.00 64.34 60.77 2kmn n VAL 138 Cb 0.20 -0.65 -0.00 0.00 -1.06 0.00 0.00 33.84 32.33 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 2.90 7.55 0.00 0.12 -4.11 105.19 111.25 2kmn n GLY 139 Ca 0.12 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.14 1.42 0.04 1.61 -2.85 0.63 -4.43 119.74 111.01 2kmn s LYS 140 Ca 0.04 -0.87 0.06 0.00 -1.00 0.00 0.00 55.97 54.20 2kmn s LYS 140 Cb -0.02 -2.49 -0.02 0.00 -2.06 0.00 0.00 37.83 33.24 2kmn s LYS 140 CO 0.05 -0.61 -0.17 -0.51 0.10 0.00 0.00 175.35 174.21 2kmn s LEU 141 N 1.49 2.16 0.39 2.77 1.02 -1.26 -2.57 118.68 122.68 2kmn s LEU 141 Ca -0.05 -0.47 0.08 0.00 0.02 0.00 0.00 54.13 53.71 2kmn s LEU 141 Cb -0.18 -0.80 0.80 0.00 0.02 0.00 0.00 46.19 46.02 2kmn s LEU 141 CO -0.07 0.11 1.97 -0.26 0.02 0.00 0.00 176.35 178.13 2kmn h PHE 142 N 4.98 0.39 0.00 0.29 -1.00 -1.96 -1.85 116.94 117.79 2kmn h PHE 142 Ca -0.40 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.36 2kmn h PHE 142 Cb 1.17 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.61 2kmn h PHE 142 CO 0.50 0.37 -0.01 1.98 -1.61 0.00 0.00 178.31 179.54 2kmn h MET 143 N 0.39 0.00 -0.49 1.51 4.05 -1.97 -2.47 114.93 115.95 2kmn h MET 143 Ca 0.09 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.65 2kmn h MET 143 Cb 0.19 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2kmn h MET 143 CO -0.00 0.01 0.48 -0.44 0.23 0.00 0.00 176.91 177.18 2kmn h ASP 144 N 0.00 0.00 -0.87 1.39 3.32 -1.75 -1.98 116.42 116.52 2kmn h ASP 144 Ca -0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2kmn h ASP 144 Cb 0.01 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.15 2kmn h ASP 144 CO 0.00 0.00 -0.93 0.00 -1.72 0.00 0.00 179.24 176.59 2kmn n TYR 145 N -3.82 2.29 -3.47 4.55 9.36 -0.93 -5.07 117.16 120.06 2kmn n TYR 145 Ca 0.09 -2.48 -0.37 0.00 3.32 0.00 0.00 57.90 58.46 2kmn n TYR 145 Cb 0.68 -0.26 -0.06 0.00 -0.63 0.00 0.00 39.34 39.07 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 -3.57 4.43 0.00 2.98 1.02 -0.75 -5.12 118.68 117.67 2kmn s LEU 146 Ca 0.41 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.53 2kmn s LEU 146 Cb 0.39 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.78 2kmn s LEU 146 CO -0.03 0.25 0.00 -0.24 0.02 0.00 0.00 176.35 176.35