#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 4.67 0.00 2.46 -7.23 -1.26 -4.45 120.40 114.59 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 0.37 0.00 0.00 -0.31 0.00 0.00 175.10 175.16 2kmn n LEU 3 N 2.71 0.00 -4.53 1.32 -0.00 -1.26 -4.97 117.00 110.27 2kmn n LEU 3 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.56 2kmn n LEU 3 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.86 2kmn n LEU 3 CO 0.48 -0.31 0.49 -1.58 -0.00 0.00 0.00 177.39 176.47 2kmn s GLN 4 N -1.79 3.34 -0.09 1.47 0.74 -1.26 -5.02 119.66 117.05 2kmn s GLN 4 Ca 0.00 -0.24 -0.21 0.00 0.05 0.00 0.00 55.36 54.96 2kmn s GLN 4 Cb 0.00 -3.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 2kmn s GLN 4 CO 0.00 -1.09 0.61 0.08 -0.55 0.00 0.00 175.29 174.34 2kmn s VAL 5 N 3.10 5.10 0.12 1.34 1.01 -1.26 -3.66 120.40 126.15 2kmn s VAL 5 Ca 0.26 1.25 -0.16 0.00 0.00 0.00 0.00 61.98 63.33 2kmn s VAL 5 Cb -0.13 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 2kmn s VAL 5 CO 0.21 0.28 0.55 -0.76 0.00 0.00 0.00 175.10 175.38 2kmn s LEU 6 N 0.76 4.40 0.09 3.92 1.43 0.83 -4.96 118.68 125.15 2kmn s LEU 6 Ca 0.33 1.14 0.09 0.00 -1.03 0.00 0.00 54.13 54.66 2kmn s LEU 6 Cb -0.17 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 2kmn s LEU 6 CO 0.15 0.16 -0.25 -1.00 0.23 0.00 0.00 176.35 175.64 2kmn s HIS 7 N -1.34 2.13 0.28 0.29 3.76 -1.26 -4.04 115.29 115.10 2kmn s HIS 7 Ca 0.35 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 2kmn s HIS 7 Cb -0.16 -1.20 -0.11 0.00 1.11 0.00 0.00 32.58 32.22 2kmn s HIS 7 CO 0.19 0.22 1.48 0.42 -0.85 0.00 0.00 174.74 176.20 2kmn s ILE 8 N -0.98 2.44 0.28 0.60 -1.09 0.21 -3.59 121.20 119.07 2kmn s ILE 8 Ca 0.11 0.38 -0.27 0.00 -2.23 0.00 0.00 60.65 58.64 2kmn s ILE 8 Cb -0.10 -3.24 -0.09 0.00 -1.58 0.00 0.00 42.46 37.44 2kmn s ILE 8 CO 0.04 0.07 0.93 -2.84 -1.23 0.00 0.00 174.94 171.90 2kmn s PRO 9 N -0.64 4.66 -0.29 2.79 0.02 -1.26 -4.84 135.00 135.45 2kmn s PRO 9 Ca 0.59 1.36 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 2kmn s PRO 9 Cb -0.44 -2.98 0.12 0.00 0.02 0.00 0.00 34.50 31.22 2kmn s PRO 9 CO 0.47 0.38 0.79 0.34 -0.33 0.00 0.00 177.00 178.64 2kmn s ASP 10 N -1.45 -0.83 0.17 2.53 2.15 -1.24 -5.05 116.67 112.95 2kmn s ASP 10 Ca 0.46 1.27 -0.14 0.00 0.43 0.00 0.00 52.55 54.56 2kmn s ASP 10 Cb -0.21 1.56 0.09 0.00 -0.30 0.00 0.00 42.92 44.05 2kmn s ASP 10 CO 0.27 -0.19 1.79 1.05 -0.17 0.00 0.00 175.17 177.91 2kmn h GLU 11 N 7.01 0.47 -0.34 4.34 4.11 -1.94 -1.88 114.58 126.35 2kmn h GLU 11 Ca -0.26 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.24 2kmn h GLU 11 Cb 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kmn h GLU 11 CO 0.15 0.31 0.26 0.00 0.07 0.00 0.00 179.01 179.80 2kmn h ARG 12 N 0.49 0.00 0.01 1.06 2.47 -1.94 1.21 114.38 117.69 2kmn h ARG 12 Ca 0.19 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.69 2kmn h ARG 12 Cb 0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 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 0.39 -2.11 3.04 3.38 -1.52 -2.62 115.31 115.87 2kmn h LEU 13 Ca 0.16 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kmn h LEU 13 Cb 0.68 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kmn h LEU 13 CO -0.00 1.14 0.00 0.54 0.09 0.00 0.00 178.44 180.21 2kmn n ARG 14 N -3.68 2.61 -3.27 1.13 5.12 0.35 -3.92 116.66 114.99 2kmn n ARG 14 Ca -0.05 -1.90 -0.35 0.00 -1.93 0.00 0.00 57.85 53.61 2kmn n ARG 14 Cb 0.84 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 30.50 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 -1.59 4.04 -0.20 5.56 2.20 0.39 -4.37 119.74 125.77 2kmn s LYS 15 Ca 0.35 0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 56.28 2kmn s LYS 15 Cb 0.21 -2.85 -0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2kmn s LYS 15 CO 0.19 0.41 0.93 0.08 -0.36 0.00 0.00 175.35 176.60 2kmn s VAL 16 N -1.55 4.78 0.31 4.02 1.01 -1.26 -0.22 120.40 127.50 2kmn s VAL 16 Ca 0.41 1.81 -0.22 0.00 0.00 0.00 0.00 61.98 63.98 2kmn s VAL 16 Cb -0.15 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 2kmn s VAL 16 CO 0.20 -0.08 0.86 0.00 0.00 0.00 0.00 175.10 176.08 2kmn s ALA 17 N 2.71 3.25 -0.17 5.51 0.00 -0.20 -4.81 121.76 128.05 2kmn s ALA 17 Ca 0.41 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 2kmn s ALA 17 Cb -0.16 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2kmn s ALA 17 CO 0.09 0.23 -0.01 -1.59 0.00 0.00 0.00 175.76 174.48 2kmn s LYS 18 N -2.30 3.72 -0.38 0.00 -2.85 -1.26 -4.37 119.74 112.30 2kmn s LYS 18 Ca 0.50 -0.49 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 2kmn s LYS 18 Cb -0.16 -3.00 0.02 0.00 -2.06 0.00 0.00 37.83 32.63 2kmn s LYS 18 CO 0.21 0.21 1.16 -1.25 0.10 0.00 0.00 175.35 175.77 2kmn s PRO 19 N 0.48 3.89 0.42 1.78 0.04 -1.26 -1.81 135.00 138.54 2kmn s PRO 19 Ca -0.02 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 2kmn s PRO 19 Cb -0.14 -3.84 -0.08 0.00 0.04 0.00 0.00 34.50 30.48 2kmn s PRO 19 CO 0.02 -1.15 1.20 0.08 0.04 0.00 0.00 177.00 177.19 2kmn s VAL 20 N 4.17 2.99 0.58 -0.36 1.01 -1.26 -4.91 120.40 122.62 2kmn s VAL 20 Ca 0.49 0.82 0.31 0.00 0.00 0.00 0.00 61.98 63.60 2kmn s VAL 20 Cb -0.11 -3.45 0.36 0.00 0.00 0.00 0.00 36.38 33.17 2kmn s VAL 20 CO 0.24 0.06 2.25 -0.33 0.00 0.00 0.00 175.10 177.32 2kmn h GLU 21 N 2.46 0.00 -2.24 2.72 5.08 -2.03 -3.44 114.58 117.13 2kmn h GLU 21 Ca -0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 2kmn h GLU 21 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 2kmn h GLU 21 CO 0.62 0.01 0.03 -2.00 -1.00 0.00 0.00 179.01 176.67 2kmn s GLU 22 N -4.55 0.79 -0.53 2.33 2.12 -1.26 -5.12 118.70 112.48 2kmn s GLU 22 Ca -0.05 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.66 2kmn s GLU 22 Cb 0.15 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.95 2kmn s GLU 22 CO 0.54 -0.14 1.16 0.08 -0.54 0.00 0.00 175.26 176.36 2kmn s VAL 23 N -0.09 4.11 0.33 3.70 1.01 -1.26 -5.02 120.40 123.17 2kmn s VAL 23 Ca -0.03 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 2kmn s VAL 23 Cb -0.04 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 2kmn s VAL 23 CO 0.03 -1.18 0.61 0.20 0.00 0.00 0.00 175.10 174.76 2kmn s ASN 24 N 2.71 6.44 0.59 3.32 0.01 -1.26 -4.89 114.94 121.86 2kmn s ASN 24 Ca 0.45 0.80 0.29 0.00 -0.71 0.00 0.00 52.86 53.69 2kmn s ASN 24 Cb -0.07 -2.18 1.60 0.00 0.41 0.00 0.00 41.25 41.01 2kmn s ASN 24 CO 0.29 -0.27 2.03 0.00 -1.51 0.00 0.00 177.10 177.64 2kmn h ALA 25 N 1.44 1.90 -0.05 0.60 0.00 -1.98 1.01 119.26 122.18 2kmn h ALA 25 Ca -0.48 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 2kmn h ALA 25 Cb 1.19 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2kmn h ALA 25 CO 0.65 -0.43 -0.94 1.05 0.00 0.00 0.00 179.25 179.58 2kmn h GLU 26 N 0.00 0.67 -0.35 0.00 -0.00 -1.99 -2.03 114.58 110.87 2kmn h GLU 26 Ca 0.12 -0.66 -0.08 0.00 -0.00 0.00 0.00 59.36 58.74 2kmn h GLU 26 Cb 0.71 0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 29.61 2kmn h GLU 26 CO -0.00 1.25 -0.13 0.82 -0.00 0.00 0.00 179.01 180.96 2kmn h ILE 27 N 0.40 1.25 -0.38 -1.06 2.04 0.40 -2.23 117.51 117.93 2kmn h ILE 27 Ca -0.10 -1.10 -0.15 0.00 1.00 0.00 0.00 64.86 64.51 2kmn h ILE 27 Cb 1.58 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2kmn h ILE 27 CO 0.18 0.37 -0.35 1.56 0.00 0.00 0.00 178.15 179.91 2kmn h GLN 28 N 0.56 0.89 -0.86 2.37 4.20 0.01 -2.39 115.11 119.90 2kmn h GLN 28 Ca 0.10 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2kmn h GLN 28 Cb 0.54 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 2kmn h GLN 28 CO 0.03 1.09 0.48 0.00 -0.67 0.00 0.00 178.83 179.77 2kmn h ARG 29 N 0.73 1.18 -0.21 1.46 2.47 -1.08 0.44 114.38 119.37 2kmn h ARG 29 Ca 0.07 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2kmn h ARG 29 Cb 0.93 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2kmn h ARG 29 CO 0.09 0.85 0.07 0.82 0.56 0.00 0.00 179.97 182.36 2kmn h ILE 30 N 1.19 0.94 -0.41 2.04 2.04 -1.12 -1.79 117.51 120.39 2kmn h ILE 30 Ca 0.30 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 2kmn h ILE 30 Cb 0.00 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2kmn h ILE 30 CO -0.05 0.03 -0.15 0.58 0.00 0.00 0.00 178.15 178.56 2kmn h VAL 31 N 0.16 1.28 -0.82 1.67 2.07 -0.98 -0.95 116.25 118.69 2kmn h VAL 31 Ca 0.09 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 66.42 2kmn h VAL 31 Cb 0.06 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2kmn h VAL 31 CO -0.10 0.43 0.48 0.44 0.02 0.00 0.00 177.57 178.84 2kmn h ASP 32 N 0.65 0.70 0.78 0.57 5.19 -0.70 0.62 116.42 124.24 2kmn h ASP 32 Ca 0.10 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.39 2kmn h ASP 32 Cb 0.70 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 2kmn h ASP 32 CO 0.05 0.42 -0.77 0.44 -3.12 0.00 0.00 179.24 176.26 2kmn h ASP 33 N 0.82 0.00 -0.35 6.45 5.19 -1.28 -2.57 116.42 124.68 2kmn h ASP 33 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2kmn h ASP 33 Cb 0.30 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 2kmn h ASP 33 CO -0.22 0.77 0.22 0.24 -3.12 0.00 0.00 179.24 177.13 2kmn h MET 34 N 0.00 0.46 -0.19 3.56 2.86 0.53 0.86 114.93 123.01 2kmn h MET 34 Ca -0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2kmn h MET 34 Cb 1.36 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2kmn h MET 34 CO 0.10 0.32 -0.18 0.27 1.06 0.00 0.00 176.91 178.48 2kmn h PHE 35 N 0.46 0.55 -0.98 -0.22 -5.15 -1.36 0.11 116.94 110.35 2kmn h PHE 35 Ca 0.13 -0.16 0.17 0.00 -0.20 0.00 0.00 57.97 57.91 2kmn h PHE 35 Cb -0.03 -0.12 -0.10 0.00 0.22 0.00 0.00 35.95 35.92 2kmn h PHE 35 CO -0.05 0.82 0.59 0.93 -2.00 0.00 0.00 178.31 178.59 2kmn h GLU 36 N 0.12 0.75 0.39 6.09 5.08 -1.03 0.23 114.58 126.21 2kmn h GLU 36 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kmn h GLU 36 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kmn h GLU 36 CO 0.05 0.50 -0.19 1.15 -1.00 0.00 0.00 179.01 179.52 2kmn h THR 37 N 0.78 0.00 -0.96 1.13 2.02 0.97 -2.30 112.91 114.55 2kmn h THR 37 Ca 0.55 -0.40 0.27 0.00 0.77 0.00 0.00 66.41 67.60 2kmn h THR 37 Cb 0.80 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.07 2kmn h THR 37 CO -0.36 0.00 0.48 -0.03 0.37 0.00 0.00 175.52 175.97 2kmn h MET 38 N -0.92 0.36 -0.25 6.66 -1.53 0.18 1.04 114.93 120.48 2kmn h MET 38 Ca -0.05 -0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.06 2kmn h MET 38 Cb 0.40 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.36 2kmn h MET 38 CO 0.09 0.24 -0.34 1.88 0.14 0.00 0.00 176.91 178.91 2kmn h TYR 39 N 0.37 0.82 0.00 1.39 -1.99 -0.69 0.71 116.97 117.59 2kmn h TYR 39 Ca 0.65 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 2kmn h TYR 39 Cb 1.35 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 2kmn h TYR 39 CO -0.08 1.02 -0.03 0.00 -0.00 0.00 0.00 178.16 179.07 2kmn h ALA 40 N 0.66 1.38 0.00 3.88 0.00 0.14 1.09 119.26 126.41 2kmn h ALA 40 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kmn h ALA 40 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kmn h ALA 40 CO 0.08 0.04 -0.49 -1.91 0.00 0.00 0.00 179.25 176.97 2kmn n GLU 41 N -3.67 0.07 -1.93 0.00 4.07 0.18 -4.91 120.64 114.45 2kmn n GLU 41 Ca -0.03 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 2kmn n GLU 41 Cb 0.12 -1.55 -0.04 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 -1.24 -2.67 5.31 1.02 0.38 -4.97 120.64 116.81 2kmn n GLU 42 Ca 0.05 0.93 -0.38 0.00 -0.02 0.00 0.00 57.16 57.74 2kmn n GLU 42 Cb 0.36 -5.25 -0.06 0.00 -0.02 0.00 0.00 31.44 26.48 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 -2.52 2.94 0.00 0.62 0.00 0.23 -4.94 107.32 103.66 2kmn s GLY 43 Ca 0.00 0.66 0.30 0.00 0.00 0.00 0.00 44.72 45.67 2kmn s GLY 43 CO 0.00 1.17 2.09 1.39 0.00 0.00 0.00 173.10 177.75 2kmn n ILE 44 N 0.88 0.02 0.00 0.90 2.08 -1.26 -4.43 119.36 117.55 2kmn n ILE 44 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2kmn n ILE 44 Cb 0.48 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kmn n GLY 45 N 1.02 1.32 3.16 7.39 0.00 -1.26 0.20 105.19 117.02 2kmn n GLY 45 Ca 0.19 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 1.95 -0.20 0.99 2.96 0.13 -4.94 118.68 119.57 2kmn s LEU 46 Ca 0.00 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 2kmn s LEU 46 Cb 0.00 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 2kmn s LEU 46 CO 0.00 0.17 0.12 0.00 -1.32 0.00 0.00 176.35 175.33 2kmn s ALA 47 N 0.02 3.67 0.10 5.97 0.00 -1.26 -1.20 121.76 129.06 2kmn s ALA 47 Ca -0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 2kmn s ALA 47 Cb -0.12 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 20.95 2kmn s ALA 47 CO 0.03 0.18 0.67 0.00 0.00 0.00 0.00 175.76 176.63 2kmn n ALA 48 N 3.47 -0.06 -0.23 0.00 0.00 0.20 0.66 120.51 124.54 2kmn n ALA 48 Ca -0.16 0.43 0.16 0.00 0.00 0.00 0.00 53.44 53.87 2kmn n ALA 48 Cb 0.52 -0.18 0.47 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.54 0.00 1.35 -1.73 0.84 112.91 113.56 2kmn h THR 49 Ca 0.15 -0.17 -0.06 0.00 -0.55 0.00 0.00 66.41 65.77 2kmn h THR 49 Cb 0.25 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 2kmn h THR 49 CO -0.43 0.09 0.08 1.56 -0.25 0.00 0.00 175.52 176.58 2kmn h GLN 50 N 0.48 0.90 -0.58 4.72 4.20 -0.05 -2.06 115.11 122.72 2kmn h GLN 50 Ca 0.45 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2kmn h GLN 50 Cb 0.99 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2kmn h GLN 50 CO -0.18 0.87 0.00 1.33 -0.67 0.00 0.00 178.83 180.18 2kmn n VAL 51 N -4.36 0.24 -2.05 -0.54 0.24 0.16 -0.12 118.33 111.89 2kmn n VAL 51 Ca 0.02 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.34 62.14 2kmn n VAL 51 Cb 0.27 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 -0.06 -1.64 -3.99 -1.34 2.03 -0.77 -4.37 116.55 106.41 2kmn n ASP 52 Ca 0.03 -0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.03 2kmn n ASP 52 Cb 0.24 -1.07 -0.16 0.00 -0.72 0.00 0.00 41.12 39.42 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 -2.14 1.74 -1.34 5.18 -5.25 -0.42 -4.98 121.20 114.00 2kmn s ILE 53 Ca 0.00 -1.27 -0.10 0.00 -0.99 0.00 0.00 60.65 58.29 2kmn s ILE 53 Cb -0.00 -1.90 -0.07 0.00 2.95 0.00 0.00 42.46 43.44 2kmn s ILE 53 CO 0.00 -0.00 2.56 0.00 -1.79 0.00 0.00 174.94 175.71 2kmn n HIS 54 N 4.61 2.17 -3.71 1.37 -0.00 -1.26 -2.65 115.22 115.75 2kmn n HIS 54 Ca -0.13 -2.65 -0.12 0.00 -0.00 0.00 0.00 57.72 54.82 2kmn n HIS 54 Cb 0.44 -2.20 -0.10 0.00 -0.00 0.00 0.00 29.99 28.13 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2kmn s GLN 55 N 2.84 0.43 -0.29 -1.40 -0.21 -1.26 -4.03 119.66 115.73 2kmn s GLN 55 Ca 0.57 0.70 -0.26 0.00 0.02 0.00 0.00 55.36 56.39 2kmn s GLN 55 Cb 0.15 0.09 -0.28 0.00 1.00 0.00 0.00 33.01 33.97 2kmn s GLN 55 CO -0.04 -0.12 1.70 0.54 -2.12 0.00 0.00 175.29 175.25 2kmn n ARG 56 N 3.66 0.58 -4.13 2.91 1.74 -0.75 -4.51 116.66 116.17 2kmn n ARG 56 Ca -0.19 -1.29 -0.35 0.00 -0.77 0.00 0.00 57.85 55.26 2kmn n ARG 56 Cb 0.56 -2.62 -0.14 0.00 -1.02 0.00 0.00 32.46 29.24 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 6.12 3.49 0.05 0.55 -1.09 -1.26 0.10 121.20 129.15 2kmn s ILE 57 Ca 0.61 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 2kmn s ILE 57 Cb 0.14 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2kmn s ILE 57 CO 0.24 0.45 -0.13 -0.51 -1.23 0.00 0.00 174.94 173.76 2kmn s ILE 58 N 1.10 0.99 -0.02 2.92 -1.16 0.20 0.63 121.20 125.86 2kmn s ILE 58 Ca 0.01 -1.07 0.05 0.00 -0.51 0.00 0.00 60.65 59.13 2kmn s ILE 58 Cb -0.15 -0.93 -0.01 0.00 0.61 0.00 0.00 42.46 41.98 2kmn s ILE 58 CO -0.00 -0.12 -0.16 0.68 -2.81 0.00 0.00 174.94 172.53 2kmn s VAL 59 N -1.02 1.26 0.12 4.00 -7.23 -0.34 0.27 120.40 117.46 2kmn s VAL 59 Ca -0.01 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.57 2kmn s VAL 59 Cb -0.09 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2kmn s VAL 59 CO 0.01 0.36 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.40 2kmn s ILE 60 N -0.30 3.10 -0.01 -0.62 -1.09 0.25 -0.70 121.20 121.83 2kmn s ILE 60 Ca 0.04 -1.44 0.22 0.00 -2.23 0.00 0.00 60.65 57.24 2kmn s ILE 60 Cb -0.07 -2.45 0.38 0.00 -1.58 0.00 0.00 42.46 38.74 2kmn s ILE 60 CO -0.00 0.07 1.15 -0.67 -1.23 0.00 0.00 174.94 174.26 2kmn n ASP 61 N 0.63 0.94 -4.47 3.58 2.03 0.53 -0.94 116.55 118.86 2kmn n ASP 61 Ca -0.14 -2.13 -0.43 0.00 0.52 0.00 0.00 54.79 52.61 2kmn n ASP 61 Cb 0.53 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.22 4.87 -0.15 5.18 1.01 -1.01 -4.67 120.40 125.41 2kmn s VAL 62 Ca 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2kmn s VAL 62 Cb 0.35 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2kmn s VAL 62 CO -0.14 -0.74 1.08 -1.54 0.00 0.00 0.00 175.10 173.76 2kmn n SER 63 N 6.18 -1.76 0.13 3.32 3.41 -1.26 -4.67 113.62 118.97 2kmn n SER 63 Ca -0.05 -1.17 0.12 0.00 -0.26 0.00 0.00 58.87 57.50 2kmn n SER 63 Cb 0.46 -0.54 0.49 0.00 -0.26 0.00 0.00 64.21 64.36 2kmn n SER 63 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2kmn n GLU 64 N 4.27 0.18 0.00 4.33 4.07 -1.26 -4.87 120.64 127.37 2kmn n GLU 64 Ca 0.10 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 2kmn n GLU 64 Cb 0.41 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 29.92 2kmn n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2kmn n ASN 65 N -2.21 3.71 0.00 4.31 5.15 -1.26 -5.06 115.26 119.91 2kmn n ASN 65 Ca 0.02 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.88 2kmn n ASN 65 Cb 0.21 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.37 2kmn n ASN 65 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2kmn h ARG 66 N 0.00 -0.09 -5.39 1.20 2.47 -2.01 -3.43 114.38 107.12 2kmn h ARG 66 Ca 0.00 0.01 -0.60 0.00 -1.26 0.00 0.00 59.98 58.13 2kmn h ARG 66 Cb 0.00 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 28.23 2kmn h ARG 66 CO 0.00 0.48 -0.29 -0.51 0.56 0.00 0.00 179.97 180.20 2kmn s ASP 67 N -5.72 6.39 -0.05 7.04 1.11 -1.26 -5.06 116.67 119.12 2kmn s ASP 67 Ca -0.15 0.45 -0.21 0.00 0.18 0.00 0.00 52.55 52.83 2kmn s ASP 67 Cb -0.00 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.75 2kmn s ASP 67 CO 0.56 0.01 0.59 -1.61 1.18 0.00 0.00 175.17 175.91 2kmn s GLU 68 N 0.96 4.35 0.00 8.23 2.02 -1.26 -4.69 118.70 128.32 2kmn s GLU 68 Ca 0.16 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.85 2kmn s GLU 68 Cb -0.14 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.70 2kmn s GLU 68 CO 0.06 0.23 0.00 -2.13 0.02 0.00 0.00 175.26 173.44 2kmn n ARG 69 N 3.26 0.00 -3.98 1.61 0.63 -1.26 -5.06 116.66 111.85 2kmn n ARG 69 Ca -0.05 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.53 2kmn n ARG 69 Cb 0.51 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.33 2kmn n ARG 69 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kmn s LEU 70 N 0.00 3.94 -0.03 6.15 1.02 -0.12 -5.00 118.68 124.65 2kmn s LEU 70 Ca 0.00 0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.34 2kmn s LEU 70 Cb 0.00 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.23 2kmn s LEU 70 CO 0.00 0.23 -0.07 0.54 0.02 0.00 0.00 176.35 177.06 2kmn s VAL 71 N 0.05 0.68 -0.02 -1.59 0.11 -1.26 0.86 120.40 119.22 2kmn s VAL 71 Ca 0.07 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2kmn s VAL 71 Cb -0.12 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2kmn s VAL 71 CO 0.00 0.23 0.06 -0.76 -3.33 0.00 0.00 175.10 171.30 2kmn s LEU 72 N 0.38 1.78 -0.07 2.54 1.43 0.14 -4.33 118.68 120.55 2kmn s LEU 72 Ca -0.06 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 2kmn s LEU 72 Cb -0.10 0.22 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 2kmn s LEU 72 CO 0.00 -0.05 -0.24 -0.63 0.23 0.00 0.00 176.35 175.66 2kmn s ILE 73 N -0.11 2.04 -1.39 -0.59 1.09 0.40 -0.62 121.20 122.02 2kmn s ILE 73 Ca -0.01 -1.04 -0.10 0.00 -1.10 0.00 0.00 60.65 58.40 2kmn s ILE 73 Cb -0.01 -1.73 0.07 0.00 -1.06 0.00 0.00 42.46 39.72 2kmn s ILE 73 CO 0.00 0.56 0.60 0.59 -0.10 0.00 0.00 174.94 176.59 2kmn n ASN 74 N 3.13 -4.29 -4.63 3.58 3.02 0.28 -1.97 115.26 114.38 2kmn n ASN 74 Ca -0.18 -0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 53.54 2kmn n ASN 74 Cb 0.52 -3.51 0.05 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.95 0.94 -4.11 3.52 -0.02 -1.25 -4.77 135.00 125.36 2kmn n PRO 75 Ca -0.02 0.36 -0.14 0.00 -2.02 0.00 0.00 63.50 61.68 2kmn n PRO 75 Cb 0.55 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.69 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 -2.81 0.49 0.20 -0.52 -1.05 0.24 -4.95 118.70 110.31 2kmn s GLU 76 Ca 0.76 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.76 2kmn s GLU 76 Cb -0.41 -0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 32.85 2kmn s GLU 76 CO 0.46 0.08 0.96 -1.17 0.95 0.00 0.00 175.26 176.54 2kmn s LEU 77 N -0.98 4.60 -0.10 1.83 2.96 -1.26 -0.75 118.68 124.97 2kmn s LEU 77 Ca -0.05 1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 55.76 2kmn s LEU 77 Cb -0.07 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 2kmn s LEU 77 CO 0.00 0.08 -0.11 0.18 -1.32 0.00 0.00 176.35 175.18 2kmn n LEU 78 N 1.87 2.09 -3.57 -0.68 4.32 0.48 -4.90 117.00 116.61 2kmn n LEU 78 Ca -0.01 0.02 -0.17 0.00 -0.02 0.00 0.00 56.01 55.84 2kmn n LEU 78 Cb 0.48 -0.34 -0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2kmn n LEU 78 CO 0.51 0.49 0.39 -0.70 -1.22 0.00 0.00 177.39 176.86 2kmn s GLU 79 N -2.20 0.96 0.00 3.23 2.12 -0.80 -4.94 118.70 117.07 2kmn s GLU 79 Ca -0.14 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.52 2kmn s GLU 79 Cb 0.04 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 2kmn s GLU 79 CO 0.22 -0.26 0.06 -1.59 -0.54 0.00 0.00 175.26 173.14 2kmn s LYS 80 N -0.86 0.32 -0.09 4.30 -2.85 -1.26 -0.24 119.74 119.06 2kmn s LYS 80 Ca -0.09 -0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 2kmn s LYS 80 Cb -0.02 0.13 0.07 0.00 -2.06 0.00 0.00 37.83 35.95 2kmn s LYS 80 CO 0.07 -0.06 0.69 0.45 0.10 0.00 0.00 175.35 176.60 2kmn s SER 81 N -1.06 -0.68 0.00 0.03 0.15 0.12 -4.97 113.70 107.30 2kmn s SER 81 Ca -0.12 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2kmn s SER 81 Cb -0.07 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2kmn s SER 81 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2kmn n GLY 82 N 1.26 -1.72 2.65 9.45 0.00 -1.26 0.12 105.19 115.68 2kmn n GLY 82 Ca -0.18 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.61 0.03 0.28 1.61 2.56 -1.26 -1.00 118.70 118.31 2kmn s GLU 83 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 54.97 55.16 2kmn s GLU 83 Cb 0.00 -1.30 -0.03 0.00 2.00 0.00 0.00 34.13 34.80 2kmn s GLU 83 CO 0.00 -0.55 0.22 0.95 -0.56 0.00 0.00 175.26 175.33 2kmn s THR 84 N 2.17 4.14 -0.17 -1.70 -4.23 0.17 -4.85 115.64 111.18 2kmn s THR 84 Ca 0.03 -1.40 -0.04 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 -0.30 0.23 -0.83 -0.54 0.00 0.00 174.62 173.11 2kmn s GLY 85 N -3.89 -0.03 -0.12 3.99 0.00 -1.26 -1.33 107.32 104.69 2kmn s GLY 85 Ca 0.35 0.49 -0.11 0.00 0.00 0.00 0.00 44.72 45.46 2kmn s GLY 85 CO 0.25 2.04 0.31 -0.42 0.00 0.00 0.00 173.10 175.29 2kmn s ILE 86 N 2.35 -0.00 0.25 0.90 1.01 -1.22 -4.90 121.20 119.60 2kmn s ILE 86 Ca 0.05 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2kmn s ILE 86 Cb -0.14 -0.44 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 2kmn s ILE 86 CO -0.10 0.00 1.18 -1.61 0.00 0.00 0.00 174.94 174.41 2kmn s GLU 87 N 0.22 4.53 0.14 2.79 2.02 -1.26 -2.22 118.70 124.91 2kmn s GLU 87 Ca -0.00 1.92 -0.18 0.00 0.02 0.00 0.00 54.97 56.73 2kmn s GLU 87 Cb -0.02 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 31.06 2kmn s GLU 87 CO -0.00 0.02 0.46 -1.21 0.02 0.00 0.00 175.26 174.54 2kmn s GLU 88 N -1.05 1.14 0.27 1.61 2.02 -0.32 -4.81 118.70 117.56 2kmn s GLU 88 Ca 0.49 -0.66 0.12 0.00 0.02 0.00 0.00 54.97 54.94 2kmn s GLU 88 Cb -0.34 0.50 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2kmn s GLU 88 CO 0.42 -0.46 -0.20 0.20 0.02 0.00 0.00 175.26 175.23 2kmn s GLY 89 N -2.79 1.87 -0.05 -1.39 0.00 -1.26 -0.04 107.32 103.66 2kmn s GLY 89 Ca 0.03 -1.86 0.04 0.00 0.00 0.00 0.00 44.72 42.93 2kmn s GLY 89 CO -0.12 -1.94 -0.15 0.00 0.00 0.00 0.00 173.10 170.89 2kmn h LEU 91 N 5.36 0.00 0.18 0.00 -0.00 -1.93 0.76 115.31 119.69 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 1.15 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.84 2kmn h LEU 91 CO 0.50 0.00 -1.36 0.28 -0.00 0.00 0.00 178.44 177.86 2kmn h SER 92 N 0.00 0.74 -3.67 -0.43 0.02 -1.91 -3.44 113.55 104.87 2kmn h SER 92 Ca 0.12 -0.76 -0.50 0.00 -0.84 0.00 0.00 61.79 59.81 2kmn h SER 92 Cb 1.29 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2kmn h SER 92 CO -0.00 1.59 0.08 -0.63 -1.14 0.00 0.00 176.83 176.73 2kmn s ILE 93 N -2.71 4.67 -0.27 3.27 1.09 0.27 0.63 121.20 128.14 2kmn s ILE 93 Ca -0.08 1.00 -0.05 0.00 -1.10 0.00 0.00 60.65 60.42 2kmn s ILE 93 Cb 0.05 -3.67 -0.16 0.00 -1.06 0.00 0.00 42.46 37.63 2kmn s ILE 93 CO 0.93 -0.08 2.60 -0.81 -0.10 0.00 0.00 174.94 177.47 2kmn n PRO 94 N -0.08 1.67 -1.01 2.79 -0.04 -1.26 -4.42 135.00 132.65 2kmn n PRO 94 Ca 0.02 -0.93 -0.00 0.00 -0.04 0.00 0.00 63.50 62.54 2kmn n PRO 94 Cb 0.53 -2.02 -0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 2.98 -0.13 -2.51 0.54 1.02 -1.26 -4.97 120.64 116.31 2kmn n GLU 95 Ca 0.36 0.17 -0.40 0.00 -0.02 0.00 0.00 57.16 57.27 2kmn n GLU 95 Cb 0.52 -3.40 -0.03 0.00 -0.02 0.00 0.00 31.44 28.52 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kmn s GLN 96 N -0.67 3.54 -0.00 3.49 -0.21 -1.26 -4.84 119.66 119.72 2kmn s GLN 96 Ca 0.00 -1.18 -0.25 0.00 0.02 0.00 0.00 55.36 53.96 2kmn s GLN 96 Cb 0.00 -5.36 -0.05 0.00 1.00 0.00 0.00 33.01 28.60 2kmn s GLN 96 CO 0.00 -2.34 0.75 1.03 -2.12 0.00 0.00 175.29 172.61 2kmn s ARG 97 N 5.06 4.47 0.08 2.91 0.52 -1.25 -4.52 118.95 126.22 2kmn s ARG 97 Ca 0.49 1.02 0.02 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 -0.06 0.18 -0.08 0.00 0.02 0.00 0.00 175.30 175.36 2kmn s ALA 98 N 0.34 0.86 -0.31 2.13 0.00 0.95 -4.61 121.76 121.11 2kmn s ALA 98 Ca 0.39 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 2kmn s ALA 98 Cb -0.19 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2kmn s ALA 98 CO 0.21 -0.12 1.27 -1.17 0.00 0.00 0.00 175.76 175.96 2kmn s LEU 99 N -2.40 3.87 -0.16 0.00 0.20 -1.26 -1.17 118.68 117.77 2kmn s LEU 99 Ca 0.03 1.15 -0.06 0.00 0.69 0.00 0.00 54.13 55.94 2kmn s LEU 99 Cb -0.02 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.16 2kmn s LEU 99 CO -0.02 -1.07 0.05 -0.69 -0.29 0.00 0.00 176.35 174.33 2kmn s VAL 100 N 4.33 4.70 -0.12 1.68 1.01 -0.94 -4.77 120.40 126.29 2kmn s VAL 100 Ca 0.55 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 2kmn s VAL 100 Cb -0.16 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2kmn s VAL 100 CO 0.23 0.51 0.82 -2.16 0.00 0.00 0.00 175.10 174.49 2kmn s PRO 101 N -0.01 4.36 0.18 2.72 0.05 -1.26 -3.39 135.00 137.66 2kmn s PRO 101 Ca 0.05 1.04 -0.06 0.00 0.05 0.00 0.00 61.00 62.08 2kmn s PRO 101 Cb -0.12 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.88 2kmn s PRO 101 CO 0.01 -0.20 0.23 -0.98 0.05 0.00 0.00 177.00 176.11 2kmn s ARG 102 N 1.68 1.19 0.67 4.56 3.03 -0.44 -4.97 118.95 124.67 2kmn s ARG 102 Ca 0.40 -1.37 -0.15 0.00 2.03 0.00 0.00 55.73 56.63 2kmn s ARG 102 Cb -0.17 0.34 0.00 0.00 -1.03 0.00 0.00 34.95 34.09 2kmn s ARG 102 CO 0.16 -0.42 1.12 0.00 -1.13 0.00 0.00 175.30 175.03 2kmn s ALA 103 N -4.05 2.42 0.08 7.88 0.00 -1.25 0.44 121.76 127.29 2kmn s ALA 103 Ca 0.26 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 2kmn s ALA 103 Cb 0.04 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 2kmn s ALA 103 CO 0.05 -1.35 1.26 1.49 0.00 0.00 0.00 175.76 177.22 2kmn h GLU 104 N -0.00 0.70 -3.77 0.00 4.81 0.26 -3.41 114.58 113.16 2kmn h GLU 104 Ca -0.47 -0.59 -0.22 0.00 -0.13 0.00 0.00 59.36 57.94 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 1.20 -0.72 0.15 -0.73 0.00 0.00 179.01 179.45 2kmn s LYS 105 N -3.67 0.05 -0.12 1.92 1.02 0.79 -1.24 119.74 118.49 2kmn s LYS 105 Ca -0.11 -0.08 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 2kmn s LYS 105 Cb 0.07 0.00 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2kmn s LYS 105 CO 0.88 -0.00 0.33 0.14 -0.92 0.00 0.00 175.35 175.78 2kmn s VAL 106 N -0.18 -0.00 -0.19 3.17 -7.23 0.25 0.10 120.40 116.32 2kmn s VAL 106 Ca -0.02 0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.11 2kmn s VAL 106 Cb -0.01 -0.46 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 2kmn s VAL 106 CO -0.00 0.00 0.00 -0.54 -0.31 0.00 0.00 175.10 174.25 2kmn s LYS 107 N 0.29 3.67 0.06 4.82 -0.14 0.66 0.56 119.74 129.66 2kmn s LYS 107 Ca -0.01 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 54.12 2kmn s LYS 107 Cb -0.03 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.03 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 0.79 0.57 -0.12 2.17 -5.25 0.98 -0.38 121.20 119.96 2kmn s ILE 108 Ca 0.00 -1.31 -0.05 0.00 -0.99 0.00 0.00 60.65 58.30 2kmn s ILE 108 Cb -0.14 -0.90 -0.04 0.00 2.95 0.00 0.00 42.46 44.33 2kmn s ILE 108 CO 0.02 -0.52 0.09 -0.13 -1.79 0.00 0.00 174.94 172.60 2kmn s ARG 109 N -2.20 3.36 0.25 0.37 0.52 0.07 0.11 118.95 121.42 2kmn s ARG 109 Ca -0.04 -0.25 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 2kmn s ARG 109 Cb -0.06 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.38 2kmn s ARG 109 CO -0.01 0.69 0.70 0.00 0.02 0.00 0.00 175.30 176.70 2kmn s ALA 110 N -0.81 -1.31 0.17 2.13 0.00 0.95 0.82 121.76 123.71 2kmn s ALA 110 Ca 0.13 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.06 2kmn s ALA 110 Cb -0.12 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2kmn s ALA 110 CO 0.03 -0.98 -0.17 -0.48 0.00 0.00 0.00 175.76 174.15 2kmn s LEU 111 N -2.88 2.69 0.52 0.00 0.05 -0.83 0.17 118.68 118.39 2kmn s LEU 111 Ca 0.09 -0.69 -0.04 0.00 0.05 0.00 0.00 54.13 53.54 2kmn s LEU 111 Cb -0.05 -1.43 -0.01 0.00 -2.05 0.00 0.00 46.19 42.65 2kmn s LEU 111 CO 0.03 0.13 0.81 -0.62 -0.55 0.00 0.00 176.35 176.14 2kmn s ASP 112 N -2.60 5.88 0.60 1.48 -1.08 -0.98 0.15 116.67 120.13 2kmn s ASP 112 Ca 0.21 0.69 0.23 0.00 -0.52 0.00 0.00 52.55 53.17 2kmn s ASP 112 Cb -0.09 -1.86 1.26 0.00 -1.46 0.00 0.00 42.92 40.77 2kmn s ASP 112 CO 0.12 -0.81 1.69 -0.09 0.52 0.00 0.00 175.17 176.60 2kmn h ARG 113 N 0.10 0.00 0.00 4.34 2.43 -1.93 0.51 114.38 119.83 2kmn h ARG 113 Ca -0.46 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.55 2kmn h ARG 113 Cb 1.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2kmn h ARG 113 CO 0.60 0.00 -0.73 -0.44 -1.51 0.00 0.00 179.97 177.89 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.96 -3.47 116.42 110.52 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 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2kmn h ASP 114 CO 0.00 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 2kmn n GLY 115 N 1.17 1.41 2.83 2.75 0.00 0.18 -5.11 105.19 108.41 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 -0.24 1.02 -0.24 1.61 1.02 -1.25 -4.91 119.74 116.76 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 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2kmn s LYS 116 CO 0.00 -0.87 1.41 -2.14 -0.92 0.00 0.00 175.35 172.83 2kmn s PRO 117 N 1.46 3.95 0.30 -1.68 0.02 -1.26 -2.33 135.00 135.46 2kmn s PRO 117 Ca 0.06 1.49 0.06 0.00 0.02 0.00 0.00 61.00 62.63 2kmn s PRO 117 Cb -0.18 -3.91 -0.06 0.00 0.02 0.00 0.00 34.50 30.37 2kmn s PRO 117 CO -0.17 -1.09 -0.02 -0.59 -0.33 0.00 0.00 177.00 174.80 2kmn s PHE 118 N 4.46 1.98 -0.16 6.54 -0.12 0.45 -4.88 117.98 126.26 2kmn s PHE 118 Ca 0.61 -0.78 -0.05 0.00 -0.05 0.00 0.00 56.93 56.67 2kmn s PHE 118 Cb -0.21 -1.20 -0.03 0.00 -0.63 0.00 0.00 43.02 40.95 2kmn s PHE 118 CO 0.24 0.21 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.39 2kmn s GLU 119 N -3.78 3.72 -0.05 1.99 2.02 -1.26 -0.04 118.70 121.31 2kmn s GLU 119 Ca 0.32 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.88 2kmn s GLU 119 Cb 0.06 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.30 2kmn s GLU 119 CO 0.13 0.28 -0.15 -0.48 0.02 0.00 0.00 175.26 175.06 2kmn s LEU 120 N 0.29 1.83 -0.22 1.80 0.05 0.12 -4.97 118.68 117.58 2kmn s LEU 120 Ca -0.01 -0.32 -0.16 0.00 0.05 0.00 0.00 54.13 53.69 2kmn s LEU 120 Cb -0.14 -0.88 -0.04 0.00 -2.05 0.00 0.00 46.19 43.08 2kmn s LEU 120 CO 0.02 0.11 0.40 -1.83 -0.55 0.00 0.00 176.35 174.50 2kmn s GLU 121 N 0.23 4.13 -0.07 1.48 1.03 -1.26 -0.01 118.70 124.22 2kmn s GLU 121 Ca -0.07 0.18 0.04 0.00 0.03 0.00 0.00 54.97 55.15 2kmn s GLU 121 Cb -0.12 -3.57 -0.02 0.00 -0.80 0.00 0.00 34.13 29.62 2kmn s GLU 121 CO 0.03 -0.12 -0.19 0.00 -1.33 0.00 0.00 175.26 173.65 2kmn s ALA 122 N 1.57 2.42 0.24 -0.84 0.00 0.19 -4.94 121.76 120.39 2kmn s ALA 122 Ca 0.18 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.23 2kmn s ALA 122 Cb -0.15 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2kmn s ALA 122 CO 0.08 0.41 -0.10 -0.51 0.00 0.00 0.00 175.76 175.65 2kmn s ASP 123 N -0.18 2.58 0.75 0.00 1.11 -1.26 0.86 116.67 120.53 2kmn s ASP 123 Ca -0.02 -1.10 0.00 0.00 0.18 0.00 0.00 52.55 51.61 2kmn s ASP 123 Cb -0.14 -0.13 0.00 0.00 1.07 0.00 0.00 42.92 43.72 2kmn s ASP 123 CO 0.03 -0.27 0.00 0.61 1.18 0.00 0.00 175.17 176.73 2kmn n GLY 124 N -0.46 2.62 0.38 0.21 0.00 -0.37 -1.31 105.19 106.26 2kmn n GLY 124 Ca -0.07 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2kmn n GLY 124 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kmn h LEU 125 N 0.00 0.49 0.10 0.99 -0.00 -1.98 0.43 115.31 115.34 2kmn h LEU 125 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2kmn h LEU 125 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2kmn h LEU 125 CO 0.00 0.24 -0.05 0.25 -0.00 0.00 0.00 178.44 178.88 2kmn h LEU 126 N 0.52 -0.11 -0.87 0.17 6.46 -1.57 -2.34 115.31 117.56 2kmn h LEU 126 Ca 0.42 -0.42 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2kmn h LEU 126 Cb 0.86 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.77 2kmn h LEU 126 CO -0.16 0.39 0.56 0.00 -0.62 0.00 0.00 178.44 178.61 2kmn h ALA 127 N 0.14 1.15 0.29 1.25 0.00 -0.31 -1.82 119.26 119.97 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 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kmn h ALA 127 CO 0.02 0.39 -0.14 0.82 0.00 0.00 0.00 179.25 180.34 2kmn h ILE 128 N 1.07 0.67 0.02 0.00 1.08 -0.22 -2.14 117.51 118.00 2kmn h ILE 128 Ca 0.35 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 2kmn h ILE 128 Cb 0.03 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 2kmn h ILE 128 CO -0.13 0.13 -0.05 0.00 -0.69 0.00 0.00 178.15 177.42 2kmn h ILE 130 N -0.10 1.14 -0.49 0.00 2.10 -1.44 0.80 117.51 119.53 2kmn h ILE 130 Ca 0.01 -0.28 -0.12 0.00 1.08 0.00 0.00 64.86 65.55 2kmn h ILE 130 Cb 0.11 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.06 2kmn h ILE 130 CO -0.03 0.15 -0.15 0.06 -1.08 0.00 0.00 178.15 177.09 2kmn h GLN 131 N 0.83 0.96 -0.47 2.19 3.07 -1.16 -2.31 115.11 118.22 2kmn h GLN 131 Ca 0.24 -0.39 0.03 0.00 0.09 0.00 0.00 58.65 58.62 2kmn h GLN 131 Cb -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 27.41 2kmn h GLN 131 CO -0.06 1.06 0.27 1.25 0.09 0.00 0.00 178.83 181.43 2kmn h HIS 132 N 0.82 0.50 -0.83 0.06 2.76 0.13 -2.17 115.15 116.41 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 0.72 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 2kmn h HIS 132 CO 0.05 0.28 0.55 0.93 -1.30 0.00 0.00 177.93 178.44 2kmn h GLU 133 N 0.53 1.08 -0.33 5.26 4.39 -0.69 0.24 114.58 125.07 2kmn h GLU 133 Ca 0.19 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2kmn h GLU 133 Cb 0.04 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.41 2kmn h GLU 133 CO -0.10 0.72 0.11 0.52 -1.16 0.00 0.00 179.01 179.10 2kmn h MET 134 N 1.12 0.25 -0.23 2.33 2.86 -0.84 0.33 114.93 120.74 2kmn h MET 134 Ca 0.31 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 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 -0.07 0.16 0.09 -0.44 1.06 0.00 0.00 176.91 177.72 2kmn h ASP 135 N 0.26 0.32 0.25 1.22 5.19 -0.85 -2.27 116.42 120.54 2kmn h ASP 135 Ca 0.15 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2kmn h ASP 135 Cb 0.12 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2kmn h ASP 135 CO -0.15 0.39 -0.16 -0.74 -3.12 0.00 0.00 179.24 175.46 2kmn h HIS 136 N 0.23 -0.42 -0.26 4.55 2.76 0.02 0.23 115.15 122.26 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 0.17 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2kmn h HIS 136 CO -0.01 -0.25 0.18 1.37 -1.30 0.00 0.00 177.93 177.91 2kmn h LEU 137 N -0.40 0.15 -2.04 0.26 8.10 -0.33 0.28 115.31 121.33 2kmn h LEU 137 Ca -0.02 -0.00 -0.06 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 40.49 2kmn h LEU 137 CO 0.02 0.11 0.08 0.55 -4.11 0.00 0.00 178.44 175.08 2kmn n VAL 138 N -4.49 1.09 -2.53 0.15 3.14 -0.86 -1.03 118.33 113.80 2kmn n VAL 138 Ca 0.02 -0.41 -0.18 0.00 -2.96 0.00 0.00 64.34 60.81 2kmn n VAL 138 Cb 0.20 -0.64 -0.00 0.00 -1.06 0.00 0.00 33.84 32.34 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 0.12 -0.50 2.86 7.55 0.00 0.97 -4.03 105.19 112.17 2kmn n GLY 139 Ca 0.11 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.16 1.23 -0.02 1.61 -2.85 0.78 -4.42 119.74 110.92 2kmn s LYS 140 Ca 0.05 -0.92 0.06 0.00 -1.00 0.00 0.00 55.97 54.17 2kmn s LYS 140 Cb -0.02 -2.42 -0.01 0.00 -2.06 0.00 0.00 37.83 33.31 2kmn s LYS 140 CO 0.06 -0.69 -0.20 -0.51 0.10 0.00 0.00 175.35 174.11 2kmn s LEU 141 N 1.51 2.03 0.24 2.77 1.02 -1.26 -2.68 118.68 122.32 2kmn s LEU 141 Ca -0.01 -0.38 -0.07 0.00 0.02 0.00 0.00 54.13 53.70 2kmn s LEU 141 Cb -0.18 -1.07 0.25 0.00 0.02 0.00 0.00 46.19 45.21 2kmn s LEU 141 CO -0.10 0.24 1.92 -0.26 0.02 0.00 0.00 176.35 178.17 2kmn h PHE 142 N 5.71 1.20 0.00 0.29 -1.00 -1.96 -1.55 116.94 119.63 2kmn h PHE 142 Ca -0.38 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.42 2kmn h PHE 142 Cb 1.14 -0.41 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 2kmn h PHE 142 CO 0.40 0.75 -0.02 1.98 -1.61 0.00 0.00 178.31 179.81 2kmn h MET 143 N 1.29 0.00 -0.40 1.51 4.05 -1.95 -2.50 114.93 116.93 2kmn h MET 143 Ca 0.36 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.89 2kmn h MET 143 Cb -0.12 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 2kmn h MET 143 CO -0.08 0.02 0.47 0.22 0.23 0.00 0.00 176.91 177.76 2kmn h ASP 144 N 0.00 0.00 -0.93 1.39 3.58 -1.70 -1.46 116.42 117.31 2kmn h ASP 144 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 2kmn h ASP 144 Cb 0.04 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 40.66 2kmn h ASP 144 CO 0.00 0.00 -0.84 0.00 -2.88 0.00 0.00 179.24 175.52 2kmn n TYR 145 N -3.62 2.70 -3.39 0.28 9.36 -0.94 -5.05 117.16 116.50 2kmn n TYR 145 Ca 0.07 -2.47 -0.37 0.00 3.32 0.00 0.00 57.90 58.45 2kmn n TYR 145 Cb 0.64 -0.26 -0.06 0.00 -0.63 0.00 0.00 39.34 39.03 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 -3.58 4.43 0.00 2.98 1.02 -0.55 -5.12 118.68 117.85 2kmn s LEU 146 Ca 0.47 1.08 0.15 0.00 0.02 0.00 0.00 54.13 55.84 2kmn s LEU 146 Cb 0.40 -2.97 0.90 0.00 0.02 0.00 0.00 46.19 44.54 2kmn s LEU 146 CO -0.03 0.21 1.31 -1.20 0.02 0.00 0.00 176.35 176.67