#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 2.09 0.78 2.46 1.01 -1.26 -4.26 120.40 121.22 2kmn s VAL 2 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 2kmn s VAL 2 Cb 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.71 2kmn s VAL 2 CO 0.00 0.58 1.11 -0.22 0.00 0.00 0.00 175.10 176.57 2kmn s LEU 3 N -0.47 2.63 -0.54 3.92 2.96 -1.25 -4.96 118.68 120.96 2kmn s LEU 3 Ca 0.06 1.16 -0.28 0.00 -0.22 0.00 0.00 54.13 54.84 2kmn s LEU 3 Cb -0.11 -3.79 0.02 0.00 0.50 0.00 0.00 46.19 42.81 2kmn s LEU 3 CO 0.01 -1.82 1.25 -1.58 -1.32 0.00 0.00 176.35 172.88 2kmn s GLN 4 N -5.28 3.52 -0.07 1.98 0.74 -1.26 -4.95 119.66 114.35 2kmn s GLN 4 Ca 0.60 0.42 -0.20 0.00 0.05 0.00 0.00 55.36 56.23 2kmn s GLN 4 Cb -0.13 -4.01 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 2kmn s GLN 4 CO 0.53 -1.66 0.57 0.08 -0.55 0.00 0.00 175.29 174.25 2kmn s VAL 5 N 5.11 5.07 0.02 1.34 1.01 -1.26 -3.21 120.40 128.48 2kmn s VAL 5 Ca 0.48 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.48 2kmn s VAL 5 Cb -0.09 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2kmn s VAL 5 CO 0.27 0.34 0.41 -0.76 0.00 0.00 0.00 175.10 175.36 2kmn s LEU 6 N 0.41 4.44 0.05 3.92 1.43 0.73 -4.93 118.68 124.73 2kmn s LEU 6 Ca 0.30 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2kmn s LEU 6 Cb -0.17 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2kmn s LEU 6 CO 0.14 0.29 -0.22 -1.00 0.23 0.00 0.00 176.35 175.79 2kmn s HIS 7 N -1.16 2.45 0.26 0.29 3.76 -1.26 -4.09 115.29 115.54 2kmn s HIS 7 Ca 0.26 -0.33 -0.31 0.00 -0.15 0.00 0.00 55.06 54.54 2kmn s HIS 7 Cb -0.16 -1.42 -0.11 0.00 1.11 0.00 0.00 32.58 32.00 2kmn s HIS 7 CO 0.14 0.21 1.61 0.42 -0.85 0.00 0.00 174.74 176.28 2kmn s ILE 8 N -0.89 2.13 0.33 0.60 -1.09 0.56 -3.61 121.20 119.22 2kmn s ILE 8 Ca 0.14 0.10 -0.24 0.00 -2.23 0.00 0.00 60.65 58.41 2kmn s ILE 8 Cb -0.10 -3.07 -0.10 0.00 -1.58 0.00 0.00 42.46 37.61 2kmn s ILE 8 CO 0.04 0.01 0.92 -2.16 -1.23 0.00 0.00 174.94 172.53 2kmn s PRO 9 N 0.02 4.49 -0.29 2.79 0.04 -1.26 -4.81 135.00 135.97 2kmn s PRO 9 Ca 0.66 1.24 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 2kmn s PRO 9 Cb -0.48 -2.71 0.12 0.00 0.04 0.00 0.00 34.50 31.48 2kmn s PRO 9 CO 0.43 0.24 0.84 0.34 0.04 0.00 0.00 177.00 178.89 2kmn s ASP 10 N -1.72 -0.75 0.17 6.66 -1.08 -1.24 -5.05 116.67 113.66 2kmn s ASP 10 Ca 0.51 1.15 -0.14 0.00 -0.52 0.00 0.00 52.55 53.55 2kmn s ASP 10 Cb -0.17 1.49 0.09 0.00 -1.46 0.00 0.00 42.92 42.87 2kmn s ASP 10 CO 0.22 -0.18 1.80 1.05 0.52 0.00 0.00 175.17 178.58 2kmn h GLU 11 N 6.86 0.52 -0.27 4.34 4.11 -1.94 -1.94 114.58 126.24 2kmn h GLU 11 Ca -0.25 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.22 2kmn h GLU 11 Cb 1.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2kmn h GLU 11 CO 0.15 0.34 0.23 0.00 0.07 0.00 0.00 179.01 179.81 2kmn h ARG 12 N 0.53 0.00 0.04 1.06 2.47 -1.94 1.02 114.38 117.56 2kmn h ARG 12 Ca 0.19 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.68 2kmn h ARG 12 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2kmn h ARG 12 CO -0.10 0.00 -1.01 -0.07 0.56 0.00 0.00 179.97 179.34 2kmn h LEU 13 N 0.00 0.46 -1.37 3.04 3.38 -1.52 -2.58 115.31 116.72 2kmn h LEU 13 Ca 0.13 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kmn h LEU 13 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2kmn h LEU 13 CO -0.00 1.23 0.00 0.54 0.09 0.00 0.00 178.44 180.30 2kmn n ARG 14 N -3.68 1.92 -3.05 1.13 5.12 0.55 -3.41 116.66 115.24 2kmn n ARG 14 Ca -0.07 -1.26 -0.39 0.00 -1.93 0.00 0.00 57.85 54.20 2kmn n ARG 14 Cb 0.88 -1.34 -0.06 0.00 -1.16 0.00 0.00 32.46 30.79 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 -1.57 4.46 -0.86 5.56 2.20 0.32 -4.29 119.74 125.56 2kmn s LYS 15 Ca 0.23 1.02 -0.23 0.00 -0.36 0.00 0.00 55.97 56.63 2kmn s LYS 15 Cb 0.13 -3.30 0.07 0.00 -1.51 0.00 0.00 37.83 33.22 2kmn s LYS 15 CO 0.15 0.47 1.23 0.08 -0.36 0.00 0.00 175.35 176.91 2kmn s VAL 16 N -0.69 4.16 0.56 4.02 1.01 -1.25 -1.20 120.40 127.01 2kmn s VAL 16 Ca 0.35 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2kmn s VAL 16 Cb -0.21 -4.88 -0.06 0.00 0.00 0.00 0.00 36.38 31.22 2kmn s VAL 16 CO 0.23 -1.71 0.93 0.00 0.00 0.00 0.00 175.10 174.55 2kmn n ALA 17 N 8.17 0.06 -2.84 5.51 0.00 -0.71 -4.93 120.51 125.78 2kmn n ALA 17 Ca 0.16 0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 2kmn n ALA 17 Cb 0.49 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 2kmn n ALA 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kmn s LYS 18 N -2.52 3.60 -0.34 0.00 -2.85 -1.26 -4.36 119.74 112.02 2kmn s LYS 18 Ca 0.72 -0.42 -0.29 0.00 -1.00 0.00 0.00 55.97 54.98 2kmn s LYS 18 Cb -0.45 -2.99 0.01 0.00 -2.06 0.00 0.00 37.83 32.34 2kmn s LYS 18 CO 0.50 0.38 1.18 -1.25 0.10 0.00 0.00 175.35 176.27 2kmn s PRO 19 N 0.01 3.94 0.42 1.78 0.04 -1.26 -1.83 135.00 138.10 2kmn s PRO 19 Ca 0.03 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 2kmn s PRO 19 Cb -0.13 -3.83 -0.08 0.00 0.04 0.00 0.00 34.50 30.50 2kmn s PRO 19 CO 0.02 -1.08 1.20 0.08 0.04 0.00 0.00 177.00 177.26 2kmn s VAL 20 N 4.11 3.01 0.47 -0.36 1.01 -1.26 -4.92 120.40 122.46 2kmn s VAL 20 Ca 0.51 0.83 0.29 0.00 0.00 0.00 0.00 61.98 63.61 2kmn s VAL 20 Cb -0.13 -3.46 0.32 0.00 0.00 0.00 0.00 36.38 33.11 2kmn s VAL 20 CO 0.21 0.06 2.13 -0.33 0.00 0.00 0.00 175.10 177.18 2kmn h GLU 21 N 2.48 0.00 -1.94 2.72 5.08 -2.03 -3.44 114.58 117.45 2kmn h GLU 21 Ca -0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 2kmn h GLU 21 Cb 1.24 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.28 2kmn h GLU 21 CO 0.62 0.08 0.18 -2.00 -1.00 0.00 0.00 179.01 176.89 2kmn s GLU 22 N -4.29 0.81 -0.44 2.33 2.12 -1.26 -5.13 118.70 112.83 2kmn s GLU 22 Ca -0.03 0.89 -0.29 0.00 0.36 0.00 0.00 54.97 55.90 2kmn s GLU 22 Cb 0.14 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.94 2kmn s GLU 22 CO 0.56 -0.11 1.19 0.08 -0.54 0.00 0.00 175.26 176.44 2kmn s VAL 23 N 0.25 4.18 0.43 3.70 1.01 -1.26 -5.02 120.40 123.69 2kmn s VAL 23 Ca -0.00 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 2kmn s VAL 23 Cb -0.05 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 2kmn s VAL 23 CO 0.01 -0.89 0.66 0.20 0.00 0.00 0.00 175.10 175.07 2kmn s ASN 24 N 2.65 5.95 0.51 3.32 0.01 -1.26 -4.88 114.94 121.23 2kmn s ASN 24 Ca 0.50 0.36 0.21 0.00 -0.71 0.00 0.00 52.86 53.23 2kmn s ASN 24 Cb -0.09 -1.68 1.31 0.00 0.41 0.00 0.00 41.25 41.20 2kmn s ASN 24 CO 0.30 -0.62 2.02 0.00 -1.51 0.00 0.00 177.10 177.29 2kmn h ALA 25 N 0.45 2.31 -0.26 0.60 0.00 -1.99 0.38 119.26 120.75 2kmn h ALA 25 Ca -0.47 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2kmn h ALA 25 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kmn h ALA 25 CO 0.58 -0.43 -0.59 0.93 0.00 0.00 0.00 179.25 179.74 2kmn h GLU 26 N 0.07 0.87 -0.28 0.00 5.08 -1.99 -2.01 114.58 116.32 2kmn h GLU 26 Ca 0.21 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2kmn h GLU 26 Cb 0.73 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2kmn h GLU 26 CO -0.02 1.21 0.13 0.82 -1.00 0.00 0.00 179.01 180.15 2kmn h ILE 27 N 0.65 1.16 -0.95 3.13 2.04 -0.81 -2.13 117.51 120.59 2kmn h ILE 27 Ca 0.00 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2kmn h ILE 27 Cb 1.21 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 2kmn h ILE 27 CO 0.13 0.16 0.62 1.56 0.00 0.00 0.00 178.15 180.62 2kmn h GLN 28 N 0.32 1.10 -0.90 2.37 4.20 -0.42 -0.55 115.11 121.23 2kmn h GLN 28 Ca 0.10 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2kmn h GLN 28 Cb 0.14 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 2kmn h GLN 28 CO -0.01 0.73 0.59 0.00 -0.67 0.00 0.00 178.83 179.47 2kmn h ARG 29 N 1.13 1.19 -0.19 1.46 2.47 -0.95 0.49 114.38 119.99 2kmn h ARG 29 Ca 0.40 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 59.05 2kmn h ARG 29 Cb 0.11 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 2kmn h ARG 29 CO -0.14 0.80 0.08 0.82 0.56 0.00 0.00 179.97 182.09 2kmn h ILE 30 N 1.23 0.98 -0.39 2.04 5.03 -0.48 -2.09 117.51 123.83 2kmn h ILE 30 Ca 0.33 -0.06 -0.11 0.00 -0.12 0.00 0.00 64.86 64.90 2kmn h ILE 30 Cb -0.13 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 34.44 2kmn h ILE 30 CO -0.07 0.03 -0.19 0.58 -0.68 0.00 0.00 178.15 177.83 2kmn h VAL 31 N 0.18 1.28 -0.83 1.67 2.07 -0.96 -0.40 116.25 119.27 2kmn h VAL 31 Ca 0.08 -1.32 0.09 0.00 0.82 0.00 0.00 66.70 66.37 2kmn h VAL 31 Cb 0.03 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2kmn h VAL 31 CO -0.07 0.44 0.47 0.44 0.02 0.00 0.00 177.57 178.88 2kmn h ASP 32 N 0.63 0.68 0.78 0.57 5.19 -0.75 0.91 116.42 124.43 2kmn h ASP 32 Ca 0.09 0.05 -0.17 0.00 -0.62 0.00 0.00 57.03 56.38 2kmn h ASP 32 Cb 0.74 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2kmn h ASP 32 CO 0.06 0.39 -0.80 0.44 -3.12 0.00 0.00 179.24 176.21 2kmn h ASP 33 N 0.80 0.02 -0.30 6.45 3.32 -1.31 -2.61 116.42 122.79 2kmn h ASP 33 Ca 0.40 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2kmn h ASP 33 Cb 0.35 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2kmn h ASP 33 CO -0.24 0.81 0.19 0.24 -1.72 0.00 0.00 179.24 178.52 2kmn h MET 34 N 0.01 0.38 -0.23 3.56 2.86 0.92 0.85 114.93 123.28 2kmn h MET 34 Ca -0.01 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2kmn h MET 34 Cb 1.42 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 2kmn h MET 34 CO 0.11 0.25 -0.20 0.27 1.06 0.00 0.00 176.91 178.40 2kmn h PHE 35 N 0.40 0.65 -0.97 -0.22 -5.15 -1.38 0.36 116.94 110.64 2kmn h PHE 35 Ca 0.11 -0.19 0.17 0.00 -0.20 0.00 0.00 57.97 57.86 2kmn h PHE 35 Cb -0.04 -0.14 -0.10 0.00 0.22 0.00 0.00 35.95 35.89 2kmn h PHE 35 CO -0.06 0.87 0.57 0.93 -2.00 0.00 0.00 178.31 178.62 2kmn h GLU 36 N 0.25 0.73 0.46 6.09 5.08 -1.04 0.20 114.58 126.36 2kmn h GLU 36 Ca 0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kmn h GLU 36 Cb 0.75 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2kmn h GLU 36 CO 0.05 0.48 -0.22 1.15 -1.00 0.00 0.00 179.01 179.48 2kmn h THR 37 N 0.75 0.00 -0.95 1.13 2.02 0.98 -2.25 112.91 114.60 2kmn h THR 37 Ca 0.54 -0.36 0.27 0.00 0.77 0.00 0.00 66.41 67.63 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 -0.37 0.00 0.45 -0.03 0.37 0.00 0.00 175.52 175.94 2kmn h MET 38 N -0.97 0.34 -0.35 6.66 -1.53 0.18 1.27 114.93 120.52 2kmn h MET 38 Ca -0.06 -0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.05 2kmn h MET 38 Cb 0.47 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 2kmn h MET 38 CO 0.10 0.22 -0.27 1.88 0.14 0.00 0.00 176.91 178.99 2kmn h TYR 39 N 0.35 0.94 0.00 1.39 -1.99 -0.73 0.53 116.97 117.46 2kmn h TYR 39 Ca 0.64 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 2kmn h TYR 39 Cb 1.34 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 39.86 2kmn h TYR 39 CO -0.10 1.03 -0.04 0.00 -0.00 0.00 0.00 178.16 179.05 2kmn h ALA 40 N 0.76 1.68 0.00 3.88 0.00 0.19 1.02 119.26 126.79 2kmn h ALA 40 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kmn h ALA 40 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kmn h ALA 40 CO 0.07 0.05 -0.30 -1.91 0.00 0.00 0.00 179.25 177.16 2kmn n GLU 41 N -4.12 0.04 -2.24 0.00 4.07 0.20 -4.90 120.64 113.68 2kmn n GLU 41 Ca -0.03 0.02 -0.19 0.00 -0.06 0.00 0.00 57.16 56.90 2kmn n GLU 41 Cb 0.12 -1.53 -0.02 0.00 -0.06 0.00 0.00 31.44 29.95 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.59 -1.47 -2.97 5.31 1.02 0.35 -4.97 120.64 116.32 2kmn n GLU 42 Ca 0.06 0.94 -0.37 0.00 -0.02 0.00 0.00 57.16 57.77 2kmn n GLU 42 Cb 0.35 -5.45 -0.06 0.00 -0.02 0.00 0.00 31.44 26.26 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 -2.24 2.75 0.00 0.62 0.00 0.17 -4.96 107.32 103.65 2kmn s GLY 43 Ca 0.00 0.33 0.30 0.00 0.00 0.00 0.00 44.72 45.35 2kmn s GLY 43 CO 0.00 0.75 2.08 1.39 0.00 0.00 0.00 173.10 177.32 2kmn n ILE 44 N 0.87 0.03 0.00 0.90 5.41 -1.26 -4.45 119.36 120.86 2kmn n ILE 44 Ca -0.02 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2kmn n ILE 44 Cb 0.50 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2kmn n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kmn n GLY 45 N 1.01 1.03 3.16 7.39 0.00 -1.26 0.25 105.19 116.77 2kmn n GLY 45 Ca 0.19 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 2kmn n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kmn s LEU 46 N 0.00 1.94 -0.20 0.99 2.96 -0.14 -4.94 118.68 119.29 2kmn s LEU 46 Ca 0.00 -0.40 -0.09 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 0.16 0.11 0.00 -1.32 0.00 0.00 176.35 175.31 2kmn s ALA 47 N 0.06 3.60 0.07 5.97 0.00 -1.26 -1.38 121.76 128.83 2kmn s ALA 47 Ca -0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2kmn s ALA 47 Cb -0.13 -2.11 0.04 0.00 0.00 0.00 0.00 23.12 20.92 2kmn s ALA 47 CO 0.03 0.15 0.56 0.00 0.00 0.00 0.00 175.76 176.49 2kmn n ALA 48 N 3.57 -0.13 -0.19 0.00 0.00 0.16 0.11 120.51 124.02 2kmn n ALA 48 Ca -0.16 0.34 0.17 0.00 0.00 0.00 0.00 53.44 53.78 2kmn n ALA 48 Cb 0.52 -0.11 0.51 0.00 0.00 0.00 0.00 19.45 20.37 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 0.75 -0.66 0.00 1.35 -1.75 0.18 112.91 112.79 2kmn h THR 49 Ca 0.09 -0.14 -0.06 0.00 -0.55 0.00 0.00 66.41 65.75 2kmn h THR 49 Cb 0.18 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 66.89 2kmn h THR 49 CO -0.35 0.07 0.16 1.56 -0.25 0.00 0.00 175.52 176.72 2kmn h GLN 50 N 0.41 1.05 -0.60 4.72 4.20 0.50 -2.17 115.11 123.21 2kmn h GLN 50 Ca 0.40 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2kmn h GLN 50 Cb 0.96 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2kmn h GLN 50 CO -0.13 0.94 0.00 1.33 -0.67 0.00 0.00 178.83 180.30 2kmn n VAL 51 N -4.30 0.80 -2.23 -0.54 0.24 0.49 -0.20 118.33 112.59 2kmn n VAL 51 Ca 0.04 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 2kmn n VAL 51 Cb 0.25 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.30 -1.90 -3.94 -1.34 2.03 -0.81 -4.14 116.55 106.75 2kmn n ASP 52 Ca 0.10 -0.02 -0.30 0.00 0.52 0.00 0.00 54.79 55.09 2kmn n ASP 52 Cb 0.46 -1.06 -0.16 0.00 -0.72 0.00 0.00 41.12 39.65 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 -2.41 1.50 -1.25 5.18 -5.25 -0.35 -4.97 121.20 113.64 2kmn s ILE 53 Ca 0.02 -1.17 -0.11 0.00 -0.99 0.00 0.00 60.65 58.40 2kmn s ILE 53 Cb -0.01 -1.75 -0.06 0.00 2.95 0.00 0.00 42.46 43.58 2kmn s ILE 53 CO 0.03 -0.08 2.40 0.00 -1.79 0.00 0.00 174.94 175.50 2kmn n HIS 54 N 4.69 2.24 -3.68 1.37 1.44 -1.26 -2.74 115.22 117.27 2kmn n HIS 54 Ca -0.12 -2.53 -0.11 0.00 -2.01 0.00 0.00 57.72 52.95 2kmn n HIS 54 Cb 0.44 -2.14 -0.09 0.00 0.12 0.00 0.00 29.99 28.32 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 3.18 0.55 -0.52 -1.40 -0.21 -1.26 -4.06 119.66 115.93 2kmn s GLN 55 Ca 0.54 0.86 -0.27 0.00 0.02 0.00 0.00 55.36 56.52 2kmn s GLN 55 Cb 0.14 0.14 -0.26 0.00 1.00 0.00 0.00 33.01 34.03 2kmn s GLN 55 CO -0.03 -0.12 1.81 0.54 -2.12 0.00 0.00 175.29 175.36 2kmn n ARG 56 N 3.71 0.66 -4.43 2.91 1.74 -0.76 -4.52 116.66 115.97 2kmn n ARG 56 Ca -0.19 -1.52 -0.33 0.00 -0.77 0.00 0.00 57.85 55.03 2kmn n ARG 56 Cb 0.56 -2.97 -0.15 0.00 -1.02 0.00 0.00 32.46 28.89 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 8.26 2.84 0.05 0.55 -1.09 -1.26 0.57 121.20 131.12 2kmn s ILE 57 Ca 0.67 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 2kmn s ILE 57 Cb 0.10 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 2kmn s ILE 57 CO 0.23 0.50 -0.13 0.27 -1.23 0.00 0.00 174.94 174.58 2kmn s ILE 58 N 0.87 1.01 -0.01 2.92 -5.25 0.24 0.35 121.20 121.33 2kmn s ILE 58 Ca -0.04 -1.10 0.05 0.00 -0.99 0.00 0.00 60.65 58.57 2kmn s ILE 58 Cb -0.15 -0.96 -0.01 0.00 2.95 0.00 0.00 42.46 44.29 2kmn s ILE 58 CO -0.00 -0.13 -0.16 0.68 -1.79 0.00 0.00 174.94 173.53 2kmn s VAL 59 N -1.06 1.26 0.13 8.37 -7.23 -0.48 0.05 120.40 121.45 2kmn s VAL 59 Ca -0.01 -0.68 0.09 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 0.00 175.10 174.39 2kmn s ILE 60 N -0.35 3.04 -0.26 -0.62 -1.09 0.22 -0.97 121.20 121.18 2kmn s ILE 60 Ca 0.06 -1.51 0.22 0.00 -2.23 0.00 0.00 60.65 57.18 2kmn s ILE 60 Cb -0.06 -2.44 0.51 0.00 -1.58 0.00 0.00 42.46 38.88 2kmn s ILE 60 CO -0.00 0.03 1.11 -0.67 -1.23 0.00 0.00 174.94 174.18 2kmn n ASP 61 N 0.54 1.73 -4.36 3.58 -0.08 0.71 -0.76 116.55 117.91 2kmn n ASP 61 Ca -0.14 -2.11 -0.39 0.00 -1.51 0.00 0.00 54.79 50.64 2kmn n ASP 61 Cb 0.53 -0.47 -0.12 0.00 2.34 0.00 0.00 41.12 43.41 2kmn n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kmn s VAL 62 N -3.81 4.34 -0.69 5.18 1.01 -1.13 -4.55 120.40 120.76 2kmn s VAL 62 Ca 0.28 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2kmn s VAL 62 Cb 0.33 -3.38 -0.23 0.00 0.00 0.00 0.00 36.38 33.09 2kmn s VAL 62 CO -0.04 -0.14 1.50 -1.20 0.00 0.00 0.00 175.10 175.21 2kmn n SER 63 N 4.94 -1.05 0.27 3.32 7.64 -1.26 -4.73 113.62 122.74 2kmn n SER 63 Ca -0.13 -0.40 0.11 0.00 1.01 0.00 0.00 58.87 59.47 2kmn n SER 63 Cb 0.46 -0.37 0.74 0.00 -1.01 0.00 0.00 64.21 64.03 2kmn n SER 63 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kmn h GLU 64 N 7.72 0.00 0.00 1.43 5.08 -1.94 -3.45 114.58 123.41 2kmn h GLU 64 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2kmn h GLU 64 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2kmn h GLU 64 CO 1.14 0.07 0.00 -1.71 -1.00 0.00 0.00 179.01 177.51 2kmn n ASN 65 N -3.99 0.00 -0.04 1.42 5.15 -1.26 -5.04 115.26 111.50 2kmn n ASN 65 Ca -0.03 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.87 2kmn n ASN 65 Cb 0.16 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.38 0.27 -3.73 1.20 5.12 -1.26 -5.01 116.66 112.86 2kmn n ARG 66 Ca 0.00 0.11 -0.35 0.00 -1.93 0.00 0.00 57.85 55.68 2kmn n ARG 66 Cb 0.00 -0.96 -0.08 0.00 -1.16 0.00 0.00 32.46 30.26 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 -6.07 6.27 -0.08 0.55 1.11 -1.26 -5.03 116.67 112.16 2kmn s ASP 67 Ca -0.16 0.31 -0.18 0.00 0.18 0.00 0.00 52.55 52.69 2kmn s ASP 67 Cb 0.04 -2.10 -0.05 0.00 1.07 0.00 0.00 42.92 41.89 2kmn s ASP 67 CO 0.22 0.21 0.49 -1.61 1.18 0.00 0.00 175.17 175.66 2kmn s GLU 68 N 0.14 4.28 0.00 8.23 2.02 -1.26 -4.42 118.70 127.69 2kmn s GLU 68 Ca 0.10 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2kmn s GLU 68 Cb -0.11 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.73 2kmn s GLU 68 CO -0.00 0.27 0.00 -2.13 0.02 0.00 0.00 175.26 173.41 2kmn n ARG 69 N 3.25 0.00 -3.95 1.61 0.63 -1.26 -5.05 116.66 111.89 2kmn n ARG 69 Ca -0.08 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.50 2kmn n ARG 69 Cb 0.52 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.34 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 3.99 -0.04 6.15 1.02 0.06 -4.99 118.68 124.86 2kmn s LEU 70 Ca 0.00 0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.35 2kmn s LEU 70 Cb 0.00 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.23 2kmn s LEU 70 CO 0.00 0.23 -0.06 0.54 0.02 0.00 0.00 176.35 177.09 2kmn s VAL 71 N 0.02 0.59 -0.02 -1.59 0.11 -1.26 0.72 120.40 118.97 2kmn s VAL 71 Ca 0.07 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 2kmn s VAL 71 Cb -0.12 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2kmn s VAL 71 CO 0.00 0.23 0.04 -0.76 -3.33 0.00 0.00 175.10 171.29 2kmn s LEU 72 N 0.75 1.76 -0.06 2.54 1.43 0.11 -4.27 118.68 120.93 2kmn s LEU 72 Ca -0.10 0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2kmn s LEU 72 Cb -0.13 0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.21 2kmn s LEU 72 CO 0.01 -0.03 -0.24 -0.63 0.23 0.00 0.00 176.35 175.69 2kmn s ILE 73 N 0.13 2.13 -1.42 -0.59 1.09 0.37 -0.60 121.20 122.31 2kmn s ILE 73 Ca -0.01 -1.04 -0.06 0.00 -1.10 0.00 0.00 60.65 58.44 2kmn s ILE 73 Cb -0.01 -1.77 0.03 0.00 -1.06 0.00 0.00 42.46 39.64 2kmn s ILE 73 CO -0.00 0.57 0.49 0.59 -0.10 0.00 0.00 174.94 176.49 2kmn n ASN 74 N 2.90 -5.02 -4.65 3.58 5.03 0.19 -1.91 115.26 115.39 2kmn n ASN 74 Ca -0.17 -0.28 -0.38 0.00 0.87 0.00 0.00 54.58 54.62 2kmn n ASN 74 Cb 0.52 -4.10 0.05 0.00 -1.02 0.00 0.00 39.78 35.22 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 -3.78 1.14 -4.08 3.52 -0.02 -1.25 -4.77 135.00 125.76 2kmn n PRO 75 Ca -0.08 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.69 2kmn n PRO 75 Cb 0.59 -2.25 -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 -2.70 0.37 0.11 -0.52 -1.05 0.17 -4.94 118.70 110.15 2kmn s GLU 76 Ca 0.73 -0.33 -0.29 0.00 -0.15 0.00 0.00 54.97 54.92 2kmn s GLU 76 Cb -0.44 -0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 32.92 2kmn s GLU 76 CO 0.49 0.07 0.94 -1.17 0.95 0.00 0.00 175.26 176.53 2kmn s LEU 77 N -0.57 4.51 -0.12 1.83 0.20 -1.26 -0.44 118.68 122.82 2kmn s LEU 77 Ca -0.03 1.77 0.01 0.00 0.69 0.00 0.00 54.13 56.57 2kmn s LEU 77 Cb -0.04 -3.55 -0.08 0.00 -0.43 0.00 0.00 46.19 42.08 2kmn s LEU 77 CO -0.00 -0.04 -0.11 0.18 -0.29 0.00 0.00 176.35 176.09 2kmn n LEU 78 N 2.69 2.95 -3.48 -0.68 4.32 0.95 -4.92 117.00 118.82 2kmn n LEU 78 Ca 0.01 -0.06 -0.15 0.00 -0.02 0.00 0.00 56.01 55.79 2kmn n LEU 78 Cb 0.49 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 41.81 2kmn n LEU 78 CO 0.51 0.70 0.44 -0.70 -1.22 0.00 0.00 177.39 177.11 2kmn s GLU 79 N -2.25 1.13 -0.00 3.23 2.12 -0.58 -4.92 118.70 117.43 2kmn s GLU 79 Ca -0.17 -0.03 -0.12 0.00 0.36 0.00 0.00 54.97 55.01 2kmn s GLU 79 Cb 0.04 0.53 0.01 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 79 CO 0.29 -0.41 0.25 -1.59 -0.54 0.00 0.00 175.26 173.25 2kmn s LYS 80 N -2.20 0.62 -0.17 4.30 -2.85 -1.26 -0.15 119.74 118.03 2kmn s LYS 80 Ca -0.06 -0.31 -0.28 0.00 -1.00 0.00 0.00 55.97 54.32 2kmn s LYS 80 Cb -0.00 0.27 0.07 0.00 -2.06 0.00 0.00 37.83 36.11 2kmn s LYS 80 CO 0.01 -0.17 0.72 0.45 0.10 0.00 0.00 175.35 176.46 2kmn s SER 81 N -1.45 -0.69 0.00 0.03 0.15 0.79 -4.96 113.70 107.57 2kmn s SER 81 Ca -0.13 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2kmn s SER 81 Cb -0.05 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 2kmn s SER 81 CO 0.02 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2kmn n GLY 82 N 1.84 -1.75 2.89 9.45 0.00 -1.26 0.11 105.19 116.47 2kmn n GLY 82 Ca -0.16 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.02 0.22 0.26 1.61 2.12 -1.26 -1.27 118.70 118.37 2kmn s GLU 83 Ca 0.00 0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.86 2kmn s GLU 83 Cb 0.00 -0.61 -0.03 0.00 0.26 0.00 0.00 34.13 33.75 2kmn s GLU 83 CO 0.00 -0.52 0.40 0.95 -0.54 0.00 0.00 175.26 175.55 2kmn s THR 84 N 2.42 5.23 -0.26 -1.70 -4.23 0.24 -4.84 115.64 112.50 2kmn s THR 84 Ca 0.06 -0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2kmn s THR 84 Cb -0.14 -3.86 0.09 0.00 1.34 0.00 0.00 72.50 69.93 2kmn s THR 84 CO -0.12 -0.38 0.11 -0.83 -0.54 0.00 0.00 174.62 172.86 2kmn s GLY 85 N -3.98 0.60 -0.10 3.99 0.00 -1.26 -2.13 107.32 104.44 2kmn s GLY 85 Ca 0.35 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 2kmn s GLY 85 CO 0.31 1.85 0.26 -0.42 0.00 0.00 0.00 173.10 175.09 2kmn s ILE 86 N 1.99 -0.00 0.38 0.90 1.01 -1.24 -4.89 121.20 119.35 2kmn s ILE 86 Ca 0.07 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 2kmn s ILE 86 Cb -0.16 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 2kmn s ILE 86 CO -0.26 0.01 1.16 -1.61 0.00 0.00 0.00 174.94 174.23 2kmn s GLU 87 N 0.26 4.15 0.17 2.79 2.02 -1.26 -2.17 118.70 124.66 2kmn s GLU 87 Ca -0.01 1.83 -0.20 0.00 0.02 0.00 0.00 54.97 56.61 2kmn s GLU 87 Cb -0.03 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.50 2kmn s GLU 87 CO -0.01 -0.23 0.55 -1.21 0.02 0.00 0.00 175.26 174.38 2kmn s GLU 88 N -2.18 1.28 0.26 1.61 2.02 -0.03 -4.81 118.70 116.85 2kmn s GLU 88 Ca 0.55 -0.63 0.12 0.00 0.02 0.00 0.00 54.97 55.03 2kmn s GLU 88 Cb -0.31 0.55 -0.05 0.00 0.10 0.00 0.00 34.13 34.43 2kmn s GLU 88 CO 0.39 -0.55 -0.20 0.20 0.02 0.00 0.00 175.26 175.12 2kmn s GLY 89 N -2.79 1.85 -0.07 -1.39 0.00 -1.26 -0.17 107.32 103.48 2kmn s GLY 89 Ca 0.03 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.94 2kmn s GLY 89 CO -0.10 -1.92 -0.12 0.00 0.00 0.00 0.00 173.10 170.97 2kmn h LEU 91 N 5.54 0.00 0.10 0.00 -0.00 -1.93 0.78 115.31 119.80 2kmn h LEU 91 Ca -0.44 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.15 2kmn h LEU 91 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 2kmn h LEU 91 CO 0.52 0.00 -1.48 0.28 -0.00 0.00 0.00 178.44 177.76 2kmn h SER 92 N 0.00 0.35 -3.73 -0.43 0.02 -1.90 -3.44 113.55 104.41 2kmn h SER 92 Ca 0.18 -0.47 -0.49 0.00 -0.84 0.00 0.00 61.79 60.17 2kmn h SER 92 Cb 1.44 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.84 2kmn h SER 92 CO -0.00 1.39 0.11 -0.63 -1.14 0.00 0.00 176.83 176.55 2kmn s ILE 93 N -2.63 4.66 0.00 3.27 -1.09 0.27 -0.32 121.20 125.36 2kmn s ILE 93 Ca -0.08 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 59.30 2kmn s ILE 93 Cb 0.07 -3.62 -0.16 0.00 -1.58 0.00 0.00 42.46 37.17 2kmn s ILE 93 CO 0.85 -0.17 2.45 -0.81 -1.23 0.00 0.00 174.94 176.03 2kmn n PRO 94 N -0.32 1.26 -1.04 2.79 -0.04 -1.26 -4.45 135.00 131.94 2kmn n PRO 94 Ca 0.03 -0.60 -0.01 0.00 -0.04 0.00 0.00 63.50 62.88 2kmn n PRO 94 Cb 0.53 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.26 -2.51 0.54 1.02 -1.26 -4.96 120.64 115.78 2kmn n GLU 95 Ca 0.26 0.32 -0.40 0.00 -0.02 0.00 0.00 57.16 57.32 2kmn n GLU 95 Cb 0.58 -3.74 -0.03 0.00 -0.02 0.00 0.00 31.44 28.24 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 -1.22 3.56 0.02 3.49 -0.21 -1.26 -4.86 119.66 119.18 2kmn s GLN 96 Ca 0.00 -1.24 -0.25 0.00 0.02 0.00 0.00 55.36 53.90 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 -2.37 0.75 1.03 -2.12 0.00 0.00 175.29 172.58 2kmn s ARG 97 N 5.04 4.47 0.08 2.91 0.52 -1.25 -4.55 118.95 126.16 2kmn s ARG 97 Ca 0.50 1.02 0.03 0.00 -0.52 0.00 0.00 55.73 56.76 2kmn s ARG 97 Cb 0.00 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2kmn s ARG 97 CO -0.05 0.24 -0.09 0.00 0.02 0.00 0.00 175.30 175.43 2kmn s ALA 98 N 0.11 0.90 0.19 2.13 0.00 0.76 -4.62 121.76 121.23 2kmn s ALA 98 Ca 0.38 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2kmn s ALA 98 Cb -0.20 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 2kmn s ALA 98 CO 0.22 -0.06 1.12 -1.17 0.00 0.00 0.00 175.76 175.86 2kmn s LEU 99 N -2.25 4.49 -0.01 0.00 0.20 -1.26 -0.85 118.68 119.00 2kmn s LEU 99 Ca 0.01 2.14 0.02 0.00 0.69 0.00 0.00 54.13 56.99 2kmn s LEU 99 Cb -0.04 -3.61 -0.00 0.00 -0.43 0.00 0.00 46.19 42.11 2kmn s LEU 99 CO -0.01 -0.23 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.05 2kmn s VAL 100 N -0.34 0.66 -0.14 1.68 1.01 -0.92 -4.84 120.40 117.51 2kmn s VAL 100 Ca 0.49 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2kmn s VAL 100 Cb -0.30 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2kmn s VAL 100 CO 0.36 0.20 0.77 -2.16 0.00 0.00 0.00 175.10 174.27 2kmn s PRO 101 N 0.02 4.32 0.15 2.72 0.04 -1.26 -3.62 135.00 137.37 2kmn s PRO 101 Ca 0.00 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 61.93 2kmn s PRO 101 Cb -0.06 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 2kmn s PRO 101 CO -0.00 -0.21 0.13 -0.98 0.04 0.00 0.00 177.00 175.98 2kmn s ARG 102 N 1.75 1.04 0.70 4.56 3.03 -0.90 -4.97 118.95 124.16 2kmn s ARG 102 Ca 0.37 -1.41 -0.14 0.00 2.03 0.00 0.00 55.73 56.58 2kmn s ARG 102 Cb -0.17 0.28 0.02 0.00 -1.03 0.00 0.00 34.95 34.06 2kmn s ARG 102 CO 0.14 -0.33 1.12 0.00 -1.13 0.00 0.00 175.30 175.10 2kmn s ALA 103 N -4.05 2.34 0.03 7.88 0.00 -1.24 0.83 121.76 127.56 2kmn s ALA 103 Ca 0.25 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 2kmn s ALA 103 Cb 0.06 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.67 2kmn s ALA 103 CO 0.03 -1.50 1.22 1.49 0.00 0.00 0.00 175.76 177.00 2kmn h GLU 104 N -0.31 0.44 -3.74 0.00 4.81 0.22 -3.40 114.58 112.60 2kmn h GLU 104 Ca -0.46 -0.35 -0.25 0.00 -0.13 0.00 0.00 59.36 58.16 2kmn h GLU 104 Cb 1.25 0.07 -0.29 0.00 0.63 0.00 0.00 28.75 30.41 2kmn h GLU 104 CO 0.52 0.99 -0.73 0.15 -0.73 0.00 0.00 179.01 179.21 2kmn s LYS 105 N -3.69 0.04 -0.00 1.92 1.02 0.45 -1.02 119.74 118.45 2kmn s LYS 105 Ca -0.13 0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.87 2kmn s LYS 105 Cb 0.05 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.28 2kmn s LYS 105 CO 0.80 -0.02 0.00 0.14 -0.92 0.00 0.00 175.35 175.35 2kmn s VAL 106 N 0.19 0.01 -0.20 3.17 -7.23 0.38 -0.15 120.40 116.56 2kmn s VAL 106 Ca -0.02 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.13 2kmn s VAL 106 Cb -0.03 -0.04 -0.03 0.00 0.56 0.00 0.00 36.38 36.85 2kmn s VAL 106 CO -0.01 0.02 0.01 -0.54 -0.31 0.00 0.00 175.10 174.28 2kmn s LYS 107 N 0.19 3.69 0.19 4.82 -0.14 0.78 0.82 119.74 130.09 2kmn s LYS 107 Ca -0.02 -0.49 0.04 0.00 -1.36 0.00 0.00 55.97 54.15 2kmn s LYS 107 Cb -0.02 -3.11 -0.05 0.00 -1.68 0.00 0.00 37.83 32.97 2kmn s LYS 107 CO -0.01 0.06 -0.05 0.96 -0.76 0.00 0.00 175.35 175.56 2kmn s ILE 108 N 0.88 1.11 -0.07 2.17 -5.25 0.89 -0.04 121.20 120.90 2kmn s ILE 108 Ca 0.01 -2.05 0.02 0.00 -0.99 0.00 0.00 60.65 57.64 2kmn s ILE 108 Cb -0.14 -2.12 -0.03 0.00 2.95 0.00 0.00 42.46 43.12 2kmn s ILE 108 CO 0.02 -0.52 -0.10 -0.13 -1.79 0.00 0.00 174.94 172.42 2kmn s ARG 109 N -3.81 2.72 0.24 0.37 0.52 0.42 0.70 118.95 120.11 2kmn s ARG 109 Ca 0.23 -0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 2kmn s ARG 109 Cb 0.04 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 33.02 2kmn s ARG 109 CO 0.05 0.61 0.63 0.00 0.02 0.00 0.00 175.30 176.61 2kmn s ALA 110 N -0.67 -1.10 0.18 2.13 0.00 0.13 0.44 121.76 122.88 2kmn s ALA 110 Ca 0.10 -0.24 0.09 0.00 0.00 0.00 0.00 51.96 51.91 2kmn s ALA 110 Cb -0.11 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2kmn s ALA 110 CO 0.01 -0.92 -0.13 -0.48 0.00 0.00 0.00 175.76 174.24 2kmn s LEU 111 N -2.90 2.86 0.48 0.00 0.05 -0.80 0.14 118.68 118.51 2kmn s LEU 111 Ca 0.10 -0.62 -0.02 0.00 0.05 0.00 0.00 54.13 53.64 2kmn s LEU 111 Cb -0.03 -1.57 -0.01 0.00 -2.05 0.00 0.00 46.19 42.53 2kmn s LEU 111 CO 0.02 0.11 0.73 -0.62 -0.55 0.00 0.00 176.35 176.04 2kmn s ASP 112 N -2.74 5.90 0.61 1.48 -1.08 -0.98 0.14 116.67 120.00 2kmn s ASP 112 Ca 0.24 0.51 0.24 0.00 -0.52 0.00 0.00 52.55 53.02 2kmn s ASP 112 Cb -0.09 -1.75 1.31 0.00 -1.46 0.00 0.00 42.92 40.93 2kmn s ASP 112 CO 0.14 -0.72 1.72 -0.09 0.52 0.00 0.00 175.17 176.74 2kmn h ARG 113 N 0.28 0.00 0.00 4.34 2.43 -1.94 0.46 114.38 119.95 2kmn h ARG 113 Ca -0.46 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.57 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 0.59 0.00 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.98 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.95 -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 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 2kmn h ASP 114 CO 0.00 0.63 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 2kmn n GLY 115 N 1.13 1.50 2.83 2.75 0.00 0.16 -5.11 105.19 108.45 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 -0.32 1.02 -0.24 1.61 1.02 -1.25 -4.92 119.74 116.67 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 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2kmn s LYS 116 CO 0.00 -0.87 1.37 -2.14 -0.92 0.00 0.00 175.35 172.78 2kmn s PRO 117 N 1.46 3.99 0.32 -1.68 0.02 -1.26 -2.32 135.00 135.52 2kmn s PRO 117 Ca 0.06 1.48 0.05 0.00 0.02 0.00 0.00 61.00 62.61 2kmn s PRO 117 Cb -0.18 -3.88 -0.06 0.00 0.02 0.00 0.00 34.50 30.40 2kmn s PRO 117 CO -0.17 -1.03 0.01 -0.59 -0.33 0.00 0.00 177.00 174.89 2kmn s PHE 118 N 4.28 2.04 -0.16 6.54 -0.12 0.38 -4.88 117.98 126.05 2kmn s PHE 118 Ca 0.59 -0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2kmn s PHE 118 Cb -0.20 -1.29 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 2kmn s PHE 118 CO 0.22 0.18 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.35 2kmn s GLU 119 N -3.80 3.75 -0.05 1.99 2.02 -1.26 0.21 118.70 121.55 2kmn s GLU 119 Ca 0.33 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.88 2kmn s GLU 119 Cb 0.07 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2kmn s GLU 119 CO 0.14 0.25 -0.15 -0.48 0.02 0.00 0.00 175.26 175.05 2kmn s LEU 120 N 0.35 1.81 -0.18 1.80 0.05 0.22 -4.97 118.68 117.77 2kmn s LEU 120 Ca -0.02 -0.33 -0.18 0.00 0.05 0.00 0.00 54.13 53.64 2kmn s LEU 120 Cb -0.14 -0.91 -0.04 0.00 -2.05 0.00 0.00 46.19 43.06 2kmn s LEU 120 CO 0.02 0.10 0.50 -1.83 -0.55 0.00 0.00 176.35 174.59 2kmn s GLU 121 N 0.32 4.22 -0.08 1.48 -1.05 -1.26 -0.07 118.70 122.26 2kmn s GLU 121 Ca -0.09 0.40 0.03 0.00 -0.15 0.00 0.00 54.97 55.16 2kmn s GLU 121 Cb -0.13 -3.53 -0.02 0.00 -0.44 0.00 0.00 34.13 30.01 2kmn s GLU 121 CO 0.03 -0.07 -0.18 0.00 0.95 0.00 0.00 175.26 176.00 2kmn s ALA 122 N 1.37 2.48 0.25 -0.84 0.00 0.24 -4.93 121.76 120.33 2kmn s ALA 122 Ca 0.24 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2kmn s ALA 122 Cb -0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2kmn s ALA 122 CO 0.10 0.42 -0.07 -0.51 0.00 0.00 0.00 175.76 175.70 2kmn s ASP 123 N -0.23 2.56 0.50 0.00 1.11 -1.26 0.14 116.67 119.49 2kmn s ASP 123 Ca 0.00 -1.15 0.00 0.00 0.18 0.00 0.00 52.55 51.58 2kmn s ASP 123 Cb -0.13 -0.13 0.00 0.00 1.07 0.00 0.00 42.92 43.73 2kmn s ASP 123 CO 0.03 -0.32 0.00 0.61 1.18 0.00 0.00 175.17 176.67 2kmn n GLY 124 N -0.50 2.33 0.38 0.21 0.00 -0.19 -1.27 105.19 106.15 2kmn n GLY 124 Ca -0.06 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 0.24 0.18 0.99 -0.00 -1.98 0.25 115.31 115.00 2kmn h LEU 125 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2kmn h LEU 125 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2kmn h LEU 125 CO 0.00 0.13 -0.09 0.25 -0.00 0.00 0.00 178.44 178.73 2kmn h LEU 126 N 0.26 -0.21 -0.74 0.17 7.12 -1.56 -2.25 115.31 118.11 2kmn h LEU 126 Ca 0.31 -0.32 0.03 0.00 0.13 0.00 0.00 57.88 58.02 2kmn h LEU 126 Cb 0.87 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.01 2kmn h LEU 126 CO -0.07 0.29 0.47 0.00 -0.13 0.00 0.00 178.44 179.00 2kmn h ALA 127 N -0.18 0.96 0.45 1.25 0.00 -0.62 -1.12 119.26 120.00 2kmn h ALA 127 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kmn h ALA 127 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kmn h ALA 127 CO 0.04 0.27 -0.22 0.82 0.00 0.00 0.00 179.25 180.17 2kmn h ILE 128 N 0.92 0.54 0.16 0.00 1.08 -0.58 -0.23 117.51 119.41 2kmn h ILE 128 Ca 0.29 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2kmn h ILE 128 Cb -0.01 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2kmn h ILE 128 CO -0.10 0.04 -0.07 0.00 -0.69 0.00 0.00 178.15 177.32 2kmn h ILE 130 N -0.23 1.21 -0.46 0.00 2.10 -1.26 0.85 117.51 119.72 2kmn h ILE 130 Ca -0.02 -0.38 -0.10 0.00 1.08 0.00 0.00 64.86 65.44 2kmn h ILE 130 Cb 0.18 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 35.93 2kmn h ILE 130 CO 0.04 0.20 -0.09 0.06 -1.08 0.00 0.00 178.15 177.27 2kmn h GLN 131 N 1.08 0.87 -0.58 2.19 3.07 -0.87 -2.32 115.11 118.56 2kmn h GLN 131 Ca 0.29 -0.33 0.04 0.00 0.09 0.00 0.00 58.65 58.74 2kmn h GLN 131 Cb -0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.34 2kmn h GLN 131 CO -0.06 0.97 0.33 1.25 0.09 0.00 0.00 178.83 181.40 2kmn h HIS 132 N 0.71 0.61 -0.45 0.06 2.76 0.15 -2.37 115.15 116.61 2kmn h HIS 132 Ca 0.12 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2kmn h HIS 132 Cb 0.63 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 2kmn h HIS 132 CO 0.05 0.32 0.29 0.93 -1.30 0.00 0.00 177.93 178.22 2kmn h GLU 133 N 0.64 0.61 -0.36 5.26 4.39 -0.62 0.27 114.58 124.77 2kmn h GLU 133 Ca 0.24 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.94 2kmn h GLU 133 Cb 0.09 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2kmn h GLU 133 CO -0.13 0.43 0.12 0.52 -1.16 0.00 0.00 179.01 178.78 2kmn h MET 134 N 0.61 0.26 -0.07 2.33 2.86 -1.03 0.31 114.93 120.19 2kmn h MET 134 Ca 0.16 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2kmn h MET 134 Cb -0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2kmn h MET 134 CO -0.03 0.17 0.04 -0.44 1.06 0.00 0.00 176.91 177.71 2kmn h ASP 135 N 0.26 0.09 -0.04 1.22 5.19 -1.12 -2.02 116.42 120.01 2kmn h ASP 135 Ca 0.16 -0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 2kmn h ASP 135 Cb 0.15 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 2kmn h ASP 135 CO -0.18 0.16 -0.13 -0.74 -3.12 0.00 0.00 179.24 175.24 2kmn h HIS 136 N 0.02 -0.33 -0.09 4.55 2.76 0.70 -0.12 115.15 122.64 2kmn h HIS 136 Ca 0.03 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kmn h HIS 136 Cb 0.09 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2kmn h HIS 136 CO -0.04 -0.19 0.04 1.37 -1.30 0.00 0.00 177.93 177.80 2kmn h LEU 137 N -0.20 0.11 -1.17 0.26 8.10 -0.32 0.33 115.31 122.41 2kmn h LEU 137 Ca 0.06 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.04 2kmn h LEU 137 Cb 0.28 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2kmn h LEU 137 CO -0.16 0.10 0.00 0.55 -4.11 0.00 0.00 178.44 174.82 2kmn n VAL 138 N -4.50 0.17 -0.56 0.15 3.14 -0.77 -1.73 118.33 114.23 2kmn n VAL 138 Ca -0.02 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2kmn n VAL 138 Cb 0.10 -0.55 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 0.06 0.68 3.60 7.55 0.00 0.12 -3.83 105.19 113.38 2kmn n GLY 139 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.41 3.92 0.40 1.61 -2.85 -0.12 -4.01 119.74 118.27 2kmn s LYS 140 Ca 0.00 0.41 0.08 0.00 -1.00 0.00 0.00 55.97 55.46 2kmn s LYS 140 Cb 0.00 -3.73 -0.05 0.00 -2.06 0.00 0.00 37.83 31.99 2kmn s LYS 140 CO 0.00 -0.63 0.17 -0.51 0.10 0.00 0.00 175.35 174.48 2kmn s LEU 141 N 2.77 3.14 0.31 2.77 1.02 -1.26 -1.46 118.68 125.97 2kmn s LEU 141 Ca 0.28 -1.01 0.06 0.00 0.02 0.00 0.00 54.13 53.48 2kmn s LEU 141 Cb -0.15 -1.50 0.71 0.00 0.02 0.00 0.00 46.19 45.28 2kmn s LEU 141 CO 0.12 -0.48 1.82 2.19 0.02 0.00 0.00 176.35 180.02 2kmn h PHE 142 N 1.46 1.02 -0.98 0.29 -5.15 -1.95 -0.93 116.94 110.70 2kmn h PHE 142 Ca -0.43 0.03 0.13 0.00 -0.20 0.00 0.00 57.97 57.51 2kmn h PHE 142 Cb 1.25 -0.32 -0.08 0.00 0.22 0.00 0.00 35.95 37.02 2kmn h PHE 142 CO 0.63 0.32 0.62 1.98 -2.00 0.00 0.00 178.31 179.85 2kmn h MET 143 N 0.81 0.86 -0.13 6.09 4.05 -1.95 0.54 114.93 125.20 2kmn h MET 143 Ca 0.52 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.93 2kmn h MET 143 Cb 0.75 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2kmn h MET 143 CO -0.30 0.57 0.28 0.22 0.23 0.00 0.00 176.91 177.91 2kmn h ASP 144 N 0.89 0.00 0.00 1.39 3.58 -1.56 -0.59 116.42 120.13 2kmn h ASP 144 Ca 0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2kmn h ASP 144 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2kmn h ASP 144 CO -0.26 0.00 -0.82 0.00 -2.88 0.00 0.00 179.24 175.28 2kmn n TYR 145 N -3.32 0.00 -2.66 0.28 9.36 0.17 -5.01 117.16 115.98 2kmn n TYR 145 Ca 0.01 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.92 2kmn n TYR 145 Cb 0.37 -0.07 -0.03 0.00 -0.63 0.00 0.00 39.34 38.98 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 -2.90 3.74 0.00 2.98 1.02 -0.16 -5.04 118.68 118.33 2kmn s LEU 146 Ca 0.02 1.31 0.00 0.00 0.02 0.00 0.00 54.13 55.48 2kmn s LEU 146 Cb 0.09 -4.21 0.00 0.00 0.02 0.00 0.00 46.19 42.08 2kmn s LEU 146 CO 0.49 -0.48 0.00 -0.24 0.02 0.00 0.00 176.35 176.14