#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 4.76 0.00 -3.33 -7.23 -1.26 -4.17 120.40 109.17 2kmn s VAL 2 Ca 0.00 1.68 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 2kmn s VAL 2 Cb 0.00 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.80 2kmn s VAL 2 CO 0.00 0.33 0.00 0.00 -0.31 0.00 0.00 175.10 175.12 2kmn n LEU 3 N 3.01 0.00 -4.49 1.32 -0.00 -1.26 -4.96 117.00 110.62 2kmn n LEU 3 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.57 2kmn n LEU 3 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.88 2kmn n LEU 3 CO 0.48 -0.01 0.65 0.00 -0.00 0.00 0.00 177.39 178.51 2kmn s GLN 4 N 0.00 3.23 -0.07 1.47 -2.07 -1.26 -5.03 119.66 115.94 2kmn s GLN 4 Ca 0.00 -0.54 -0.20 0.00 -1.82 0.00 0.00 55.36 52.79 2kmn s GLN 4 Cb 0.00 -4.10 -0.04 0.00 -1.09 0.00 0.00 33.01 27.77 2kmn s GLN 4 CO 0.00 -1.49 0.58 0.08 -1.32 0.00 0.00 175.29 173.14 2kmn s VAL 5 N 3.64 5.06 0.04 3.63 1.01 -1.26 -3.25 120.40 129.28 2kmn s VAL 5 Ca 0.25 1.19 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 2kmn s VAL 5 Cb -0.15 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2kmn s VAL 5 CO 0.15 0.34 0.50 -0.76 0.00 0.00 0.00 175.10 175.33 2kmn s LEU 6 N 0.40 4.50 -0.05 3.92 1.43 0.10 -4.92 118.68 124.07 2kmn s LEU 6 Ca 0.31 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2kmn s LEU 6 Cb -0.17 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2kmn s LEU 6 CO 0.15 0.29 -0.11 -1.00 0.23 0.00 0.00 176.35 175.91 2kmn s HIS 7 N -1.11 2.80 0.24 0.29 3.76 -1.26 -3.54 115.29 116.48 2kmn s HIS 7 Ca 0.27 -0.08 -0.31 0.00 -0.15 0.00 0.00 55.06 54.79 2kmn s HIS 7 Cb -0.18 -1.65 -0.11 0.00 1.11 0.00 0.00 32.58 31.75 2kmn s HIS 7 CO 0.17 0.26 1.60 0.42 -0.85 0.00 0.00 174.74 176.34 2kmn s ILE 8 N -0.79 2.24 0.40 0.60 -1.09 -0.28 -3.62 121.20 118.65 2kmn s ILE 8 Ca 0.12 0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 58.51 2kmn s ILE 8 Cb -0.11 -3.12 -0.11 0.00 -1.58 0.00 0.00 42.46 37.55 2kmn s ILE 8 CO 0.02 0.02 0.95 -2.84 -1.23 0.00 0.00 174.94 171.86 2kmn s PRO 9 N 0.24 4.33 -0.28 2.79 0.02 -1.26 -4.81 135.00 136.03 2kmn s PRO 9 Ca 0.67 1.19 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 2kmn s PRO 9 Cb -0.47 -2.37 0.11 0.00 0.02 0.00 0.00 34.50 31.80 2kmn s PRO 9 CO 0.40 0.06 0.85 0.34 -0.33 0.00 0.00 177.00 178.32 2kmn s ASP 10 N -2.00 -0.69 0.17 2.53 -1.08 -1.24 -5.05 116.67 109.31 2kmn s ASP 10 Ca 0.58 1.13 -0.14 0.00 -0.52 0.00 0.00 52.55 53.60 2kmn s ASP 10 Cb -0.12 1.27 0.09 0.00 -1.46 0.00 0.00 42.92 42.69 2kmn s ASP 10 CO 0.16 -0.18 1.80 1.05 0.52 0.00 0.00 175.17 178.53 2kmn h GLU 11 N 6.27 0.52 -0.02 4.34 4.11 -1.95 -1.86 114.58 125.99 2kmn h GLU 11 Ca -0.29 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.12 2kmn h GLU 11 Cb 1.21 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kmn h GLU 11 CO 0.17 0.34 0.02 0.00 0.07 0.00 0.00 179.01 179.61 2kmn h ARG 12 N 0.53 0.00 0.01 1.06 2.47 -1.94 0.86 114.38 117.38 2kmn h ARG 12 Ca 0.19 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.71 2kmn h ARG 12 Cb 0.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 2kmn h ARG 12 CO -0.10 0.00 -0.92 -0.07 0.56 0.00 0.00 179.97 179.44 2kmn h LEU 13 N 0.00 0.13 -2.03 3.04 3.38 -1.52 -2.59 115.31 115.72 2kmn h LEU 13 Ca 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kmn h LEU 13 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kmn h LEU 13 CO -0.00 0.98 0.00 0.54 0.09 0.00 0.00 178.44 180.05 2kmn n ARG 14 N -3.55 2.32 -3.02 1.13 5.12 0.04 -3.55 116.66 115.15 2kmn n ARG 14 Ca -0.02 -1.96 -0.38 0.00 -1.93 0.00 0.00 57.85 53.55 2kmn n ARG 14 Cb 0.85 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.64 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 -1.32 4.47 -0.84 5.56 2.20 0.28 -4.29 119.74 125.80 2kmn s LYS 15 Ca 0.36 1.07 -0.23 0.00 -0.36 0.00 0.00 55.97 56.82 2kmn s LYS 15 Cb 0.19 -3.15 0.07 0.00 -1.51 0.00 0.00 37.83 33.43 2kmn s LYS 15 CO 0.24 0.52 1.21 0.08 -0.36 0.00 0.00 175.35 177.05 2kmn s VAL 16 N -1.25 4.16 0.50 4.02 1.01 -1.23 0.36 120.40 127.96 2kmn s VAL 16 Ca 0.37 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2kmn s VAL 16 Cb -0.21 -4.87 -0.07 0.00 0.00 0.00 0.00 36.38 31.23 2kmn s VAL 16 CO 0.24 -1.70 1.26 0.00 0.00 0.00 0.00 175.10 174.90 2kmn n ALA 17 N 8.17 1.24 -2.80 5.51 0.00 -0.61 -4.91 120.51 127.12 2kmn n ALA 17 Ca 0.14 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 2kmn n ALA 17 Cb 0.49 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.57 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 -2.56 3.56 -0.34 0.00 -2.85 -1.26 -4.24 119.74 112.05 2kmn s LYS 18 Ca 0.67 -0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 55.02 2kmn s LYS 18 Cb -0.46 -3.06 0.02 0.00 -2.06 0.00 0.00 37.83 32.27 2kmn s LYS 18 CO 0.53 0.49 1.07 -1.25 0.10 0.00 0.00 175.35 176.29 2kmn s PRO 19 N -0.26 4.02 0.42 1.78 0.04 -1.26 -1.81 135.00 137.93 2kmn s PRO 19 Ca 0.08 1.00 -0.25 0.00 0.04 0.00 0.00 61.00 61.87 2kmn s PRO 19 Cb -0.12 -3.76 -0.08 0.00 0.04 0.00 0.00 34.50 30.58 2kmn s PRO 19 CO 0.02 -0.95 1.20 0.08 0.04 0.00 0.00 177.00 177.39 2kmn s VAL 20 N 3.72 3.02 0.51 -0.36 1.01 -1.26 -4.92 120.40 122.11 2kmn s VAL 20 Ca 0.45 0.85 0.32 0.00 0.00 0.00 0.00 61.98 63.60 2kmn s VAL 20 Cb -0.12 -3.47 0.36 0.00 0.00 0.00 0.00 36.38 33.15 2kmn s VAL 20 CO 0.17 0.07 2.20 -0.33 0.00 0.00 0.00 175.10 177.21 2kmn h GLU 21 N 2.51 0.00 -2.00 2.72 4.39 -2.02 -3.44 114.58 116.73 2kmn h GLU 21 Ca -0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 2kmn h GLU 21 Cb 1.24 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.70 2kmn h GLU 21 CO 0.62 0.04 0.18 -2.00 -1.16 0.00 0.00 179.01 176.69 2kmn s GLU 22 N -4.30 1.01 -0.57 2.33 2.56 -1.26 -5.12 118.70 113.35 2kmn s GLU 22 Ca -0.04 0.41 -0.27 0.00 0.00 0.00 0.00 54.97 55.07 2kmn s GLU 22 Cb 0.13 0.48 0.03 0.00 2.00 0.00 0.00 34.13 36.78 2kmn s GLU 22 CO 0.53 -0.28 1.10 0.08 -0.56 0.00 0.00 175.26 176.13 2kmn s VAL 23 N -0.88 4.15 0.40 3.70 1.01 -1.26 -5.01 120.40 122.51 2kmn s VAL 23 Ca -0.09 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 2kmn s VAL 23 Cb -0.01 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 2kmn s VAL 23 CO 0.08 -1.27 0.70 0.20 0.00 0.00 0.00 175.10 174.81 2kmn s ASN 24 N 2.94 6.36 0.49 3.32 0.01 -1.26 -4.87 114.94 121.92 2kmn s ASN 24 Ca 0.38 0.85 0.22 0.00 -0.71 0.00 0.00 52.86 53.60 2kmn s ASN 24 Cb -0.09 -2.21 1.28 0.00 0.41 0.00 0.00 41.25 40.64 2kmn s ASN 24 CO 0.23 -0.42 1.97 0.00 -1.51 0.00 0.00 177.10 177.37 2kmn h ALA 25 N 0.82 2.37 -0.22 0.60 0.00 -1.99 0.85 119.26 121.68 2kmn h ALA 25 Ca -0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2kmn h ALA 25 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kmn h ALA 25 CO 0.63 -0.54 -0.55 1.05 0.00 0.00 0.00 179.25 179.83 2kmn h GLU 26 N 0.15 0.67 -0.21 0.00 4.11 -1.99 -2.08 114.58 115.23 2kmn h GLU 26 Ca 0.30 -0.43 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kmn h GLU 26 Cb 0.96 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2kmn h GLU 26 CO -0.04 1.05 0.06 0.82 0.07 0.00 0.00 179.01 180.96 2kmn h ILE 27 N 0.52 1.20 -1.00 -1.06 2.04 0.13 -2.06 117.51 117.27 2kmn h ILE 27 Ca 0.01 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.30 2kmn h ILE 27 Cb 1.12 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2kmn h ILE 27 CO 0.11 0.20 0.65 1.56 0.00 0.00 0.00 178.15 180.67 2kmn h GLN 28 N 0.16 1.16 -0.94 2.37 4.20 -0.31 -0.58 115.11 121.17 2kmn h GLN 28 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kmn h GLN 28 Cb 0.25 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 2kmn h GLN 28 CO -0.00 0.77 0.56 0.00 -0.67 0.00 0.00 178.83 179.48 2kmn h ARG 29 N 1.19 1.28 -0.10 1.46 2.47 -1.11 0.78 114.38 120.36 2kmn h ARG 29 Ca 0.42 -0.12 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 2kmn h ARG 29 Cb 0.13 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2kmn h ARG 29 CO -0.16 0.90 0.01 0.82 0.56 0.00 0.00 179.97 182.10 2kmn h ILE 30 N 1.30 0.94 -0.41 2.04 2.04 -0.41 -2.23 117.51 120.78 2kmn h ILE 30 Ca 0.34 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 66.06 2kmn h ILE 30 Cb -0.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2kmn h ILE 30 CO -0.06 0.01 -0.21 0.58 0.00 0.00 0.00 178.15 178.46 2kmn h VAL 31 N 0.04 1.28 -0.60 1.67 2.07 -1.06 -1.02 116.25 118.63 2kmn h VAL 31 Ca 0.05 -1.36 0.10 0.00 0.82 0.00 0.00 66.70 66.31 2kmn h VAL 31 Cb 0.05 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 2kmn h VAL 31 CO -0.07 0.46 0.19 0.44 0.02 0.00 0.00 177.57 178.61 2kmn h ASP 32 N 0.69 0.15 0.72 0.57 5.19 -0.68 0.94 116.42 123.99 2kmn h ASP 32 Ca 0.09 0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.43 2kmn h ASP 32 Cb 0.78 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.35 2kmn h ASP 32 CO 0.06 0.09 -0.74 0.44 -3.12 0.00 0.00 179.24 175.97 2kmn h ASP 33 N 0.35 0.02 -0.32 6.45 5.19 -1.38 -2.64 116.42 124.10 2kmn h ASP 33 Ca 0.31 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2kmn h ASP 33 Cb 0.41 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2kmn h ASP 33 CO -0.33 0.75 0.20 0.24 -3.12 0.00 0.00 179.24 176.97 2kmn h MET 34 N 0.01 0.39 -0.23 3.56 2.86 0.55 0.75 114.93 122.82 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 1.31 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 2kmn h MET 34 CO 0.10 0.26 -0.20 0.27 1.06 0.00 0.00 176.91 178.39 2kmn h PHE 35 N 0.40 0.64 -0.85 -0.22 -5.15 -1.37 0.56 116.94 110.96 2kmn h PHE 35 Ca 0.12 -0.19 0.16 0.00 -0.20 0.00 0.00 57.97 57.86 2kmn h PHE 35 Cb -0.02 -0.14 -0.10 0.00 0.22 0.00 0.00 35.95 35.91 2kmn h PHE 35 CO -0.07 0.86 0.43 0.93 -2.00 0.00 0.00 178.31 178.47 2kmn h GLU 36 N 0.23 0.57 0.52 6.09 5.08 -1.06 0.18 114.58 126.19 2kmn h GLU 36 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2kmn h GLU 36 Cb 0.75 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kmn h GLU 36 CO 0.05 0.38 -0.25 1.15 -1.00 0.00 0.00 179.01 179.34 2kmn h THR 37 N 0.59 0.00 -0.90 1.13 2.02 0.69 -2.31 112.91 114.13 2kmn h THR 37 Ca 0.47 -0.45 0.24 0.00 0.77 0.00 0.00 66.41 67.45 2kmn h THR 37 Cb 0.70 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.98 2kmn h THR 37 CO -0.38 0.00 0.33 -0.03 0.37 0.00 0.00 175.52 175.81 2kmn h MET 38 N -1.15 0.28 -0.35 6.66 -1.53 0.11 1.07 114.93 120.02 2kmn h MET 38 Ca -0.07 -0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.05 2kmn h MET 38 Cb 0.54 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2kmn h MET 38 CO 0.12 0.18 -0.24 1.88 0.14 0.00 0.00 176.91 178.99 2kmn h TYR 39 N 0.29 0.92 0.00 1.39 -1.99 -0.78 0.54 116.97 117.33 2kmn h TYR 39 Ca 0.58 -0.25 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 2kmn h TYR 39 Cb 1.17 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.69 2kmn h TYR 39 CO -0.19 1.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.97 2kmn h ALA 40 N 0.77 1.88 0.00 3.88 0.00 0.14 1.07 119.26 127.00 2kmn h ALA 40 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2kmn h ALA 40 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kmn h ALA 40 CO 0.06 0.01 -0.20 -1.91 0.00 0.00 0.00 179.25 177.21 2kmn n GLU 41 N -4.37 0.01 -1.98 0.00 4.07 0.21 -4.89 120.64 113.68 2kmn n GLU 41 Ca -0.03 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.89 2kmn n GLU 41 Cb 0.09 -1.51 -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 -1.52 -1.39 -2.75 5.31 1.02 0.37 -4.96 120.64 116.71 2kmn n GLU 42 Ca 0.06 1.01 -0.40 0.00 -0.02 0.00 0.00 57.16 57.82 2kmn n GLU 42 Cb 0.34 -5.43 -0.06 0.00 -0.02 0.00 0.00 31.44 26.27 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 -2.46 3.08 0.00 0.62 0.00 0.17 -4.94 107.32 103.79 2kmn s GLY 43 Ca 0.00 0.61 0.29 0.00 0.00 0.00 0.00 44.72 45.62 2kmn s GLY 43 CO 0.00 1.16 2.11 1.39 0.00 0.00 0.00 173.10 177.76 2kmn n ILE 44 N 1.36 0.00 -3.65 0.90 5.41 -1.26 -4.38 119.36 117.73 2kmn n ILE 44 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.75 2kmn n ILE 44 Cb 0.47 -0.50 -0.06 0.00 -0.71 0.00 0.00 39.64 38.84 2kmn n ILE 44 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2kmn s GLY 45 N -1.96 0.61 -0.04 7.39 0.00 -1.26 0.28 107.32 112.33 2kmn s GLY 45 Ca 0.44 3.83 0.05 0.00 0.00 0.00 0.00 44.72 49.03 2kmn s GLY 45 CO 0.34 2.50 -0.18 -2.27 0.00 0.00 0.00 173.10 173.49 2kmn s LEU 46 N 0.66 1.94 -0.19 0.66 2.96 0.00 -4.91 118.68 119.80 2kmn s LEU 46 Ca -0.02 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2kmn s LEU 46 Cb -0.03 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 2kmn s LEU 46 CO -0.12 0.16 0.10 0.00 -1.32 0.00 0.00 176.35 175.18 2kmn s ALA 47 N 0.01 3.59 0.10 5.97 0.00 -1.26 -1.53 121.76 128.64 2kmn s ALA 47 Ca -0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2kmn s ALA 47 Cb -0.12 -2.06 0.06 0.00 0.00 0.00 0.00 23.12 21.01 2kmn s ALA 47 CO 0.02 0.20 0.72 0.00 0.00 0.00 0.00 175.76 176.70 2kmn n ALA 48 N 3.43 -0.14 -0.19 0.00 0.00 0.12 0.12 120.51 123.84 2kmn n ALA 48 Ca -0.16 0.44 0.16 0.00 0.00 0.00 0.00 53.44 53.87 2kmn n ALA 48 Cb 0.52 -0.16 0.49 0.00 0.00 0.00 0.00 19.45 20.30 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 0.78 -0.57 0.00 1.35 -1.75 0.29 112.91 113.00 2kmn h THR 49 Ca 0.13 -0.15 -0.08 0.00 -0.55 0.00 0.00 66.41 65.76 2kmn h THR 49 Cb 0.25 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 2kmn h THR 49 CO -0.45 0.08 0.04 1.56 -0.25 0.00 0.00 175.52 176.50 2kmn h GLN 50 N 0.45 0.96 -0.50 4.72 4.20 0.67 -1.83 115.11 123.77 2kmn h GLN 50 Ca 0.40 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2kmn h GLN 50 Cb 0.90 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2kmn h GLN 50 CO -0.14 0.92 0.00 1.33 -0.67 0.00 0.00 178.83 180.27 2kmn n VAL 51 N -4.21 0.73 -2.37 -0.54 0.24 0.84 0.02 118.33 113.05 2kmn n VAL 51 Ca 0.03 -0.52 -0.03 0.00 -2.04 0.00 0.00 64.34 61.78 2kmn n VAL 51 Cb 0.31 0.01 0.01 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.42 -2.20 -3.94 -1.34 2.03 -0.63 -4.20 116.55 106.70 2kmn n ASP 52 Ca 0.12 -0.04 -0.30 0.00 0.52 0.00 0.00 54.79 55.08 2kmn n ASP 52 Cb 0.42 -1.15 -0.16 0.00 -0.72 0.00 0.00 41.12 39.52 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 -2.62 1.51 -1.24 5.18 -5.25 -0.23 -4.97 121.20 113.58 2kmn s ILE 53 Ca 0.04 -1.15 -0.12 0.00 -0.99 0.00 0.00 60.65 58.43 2kmn s ILE 53 Cb -0.02 -1.75 -0.06 0.00 2.95 0.00 0.00 42.46 43.58 2kmn s ILE 53 CO 0.06 -0.06 2.35 0.00 -1.79 0.00 0.00 174.94 175.50 2kmn n HIS 54 N 4.69 2.36 -3.68 1.37 1.44 -1.26 -2.81 115.22 117.32 2kmn n HIS 54 Ca -0.12 -2.53 -0.10 0.00 -2.01 0.00 0.00 57.72 52.95 2kmn n HIS 54 Cb 0.45 -2.16 -0.10 0.00 0.12 0.00 0.00 29.99 28.30 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 3.32 0.50 -0.62 -1.40 -0.21 -1.26 -4.03 119.66 115.96 2kmn s GLN 55 Ca 0.54 0.88 -0.27 0.00 0.02 0.00 0.00 55.36 56.52 2kmn s GLN 55 Cb 0.14 0.07 -0.26 0.00 1.00 0.00 0.00 33.01 33.96 2kmn s GLN 55 CO -0.03 -0.14 1.86 0.54 -2.12 0.00 0.00 175.29 175.40 2kmn n ARG 56 N 4.01 0.46 -4.42 2.91 1.74 -0.75 -4.52 116.66 116.09 2kmn n ARG 56 Ca -0.21 -1.55 -0.33 0.00 -0.77 0.00 0.00 57.85 54.99 2kmn n ARG 56 Cb 0.56 -3.20 -0.15 0.00 -1.02 0.00 0.00 32.46 28.65 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 10.67 2.63 0.04 0.55 -1.09 -1.26 0.51 121.20 133.25 2kmn s ILE 57 Ca 0.71 -0.78 0.06 0.00 -2.23 0.00 0.00 60.65 58.42 2kmn s ILE 57 Cb 0.06 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 2kmn s ILE 57 CO 0.24 0.51 -0.17 0.27 -1.23 0.00 0.00 174.94 174.56 2kmn s ILE 58 N 0.94 1.36 -0.03 2.92 -5.25 -0.39 0.14 121.20 120.88 2kmn s ILE 58 Ca -0.03 -1.10 0.04 0.00 -0.99 0.00 0.00 60.65 58.57 2kmn s ILE 58 Cb -0.15 -1.21 -0.00 0.00 2.95 0.00 0.00 42.46 44.05 2kmn s ILE 58 CO -0.02 0.09 -0.15 0.68 -1.79 0.00 0.00 174.94 173.74 2kmn s VAL 59 N -0.84 1.28 0.09 8.37 -7.23 -0.58 -0.53 120.40 120.96 2kmn s VAL 59 Ca 0.04 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.65 2kmn s VAL 59 Cb -0.08 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2kmn s VAL 59 CO 0.02 0.37 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.36 2kmn s ILE 60 N -0.02 2.79 -0.05 -0.62 1.01 0.31 -0.82 121.20 123.81 2kmn s ILE 60 Ca -0.02 -1.38 0.23 0.00 0.00 0.00 0.00 60.65 59.48 2kmn s ILE 60 Cb -0.10 -2.23 0.43 0.00 0.01 0.00 0.00 42.46 40.57 2kmn s ILE 60 CO 0.01 0.20 1.18 -0.67 0.00 0.00 0.00 174.94 175.66 2kmn n ASP 61 N 1.12 1.16 -4.50 3.58 2.03 0.79 -0.48 116.55 120.25 2kmn n ASP 61 Ca -0.16 -2.38 -0.42 0.00 0.52 0.00 0.00 54.79 52.36 2kmn n ASP 61 Cb 0.52 -0.35 -0.09 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.71 5.18 0.00 5.18 1.01 -0.97 -4.64 120.40 125.45 2kmn s VAL 62 Ca 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2kmn s VAL 62 Cb 0.38 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2kmn s VAL 62 CO -0.15 -0.24 0.82 -1.54 0.00 0.00 0.00 175.10 173.99 2kmn n SER 63 N 5.35 -1.63 0.04 3.32 3.41 -1.26 -4.63 113.62 118.22 2kmn n SER 63 Ca -0.10 -1.08 0.12 0.00 -0.26 0.00 0.00 58.87 57.55 2kmn n SER 63 Cb 0.48 -0.38 0.47 0.00 -0.26 0.00 0.00 64.21 64.52 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 4.13 0.07 0.00 4.33 4.07 -1.26 -4.91 120.64 127.07 2kmn n GLU 64 Ca 0.00 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2kmn n GLU 64 Cb 0.41 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 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 -1.74 2.39 0.05 4.31 2.85 -1.26 -5.07 115.26 116.80 2kmn n ASN 65 Ca 0.05 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.47 2kmn n ASN 65 Cb 0.29 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.28 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 -0.23 -5.61 1.20 2.47 -2.00 -3.44 114.38 106.76 2kmn h ARG 66 Ca 0.00 0.02 -0.58 0.00 -1.26 0.00 0.00 59.98 58.15 2kmn h ARG 66 Cb 0.00 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 28.28 2kmn h ARG 66 CO 0.00 -0.06 -0.24 -0.51 0.56 0.00 0.00 179.97 179.72 2kmn s ASP 67 N -5.33 6.55 -0.22 7.04 1.11 -1.26 -5.06 116.67 119.50 2kmn s ASP 67 Ca -0.06 0.65 -0.23 0.00 0.18 0.00 0.00 52.55 53.09 2kmn s ASP 67 Cb 0.00 -2.23 -0.01 0.00 1.07 0.00 0.00 42.92 41.75 2kmn s ASP 67 CO 0.19 0.06 0.76 -1.61 1.18 0.00 0.00 175.17 175.75 2kmn s GLU 68 N 0.50 4.19 0.00 8.23 2.02 -1.26 -4.75 118.70 127.63 2kmn s GLU 68 Ca 0.21 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2kmn s GLU 68 Cb -0.14 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.47 2kmn s GLU 68 CO 0.07 -0.42 0.00 -2.13 0.02 0.00 0.00 175.26 172.80 2kmn n ARG 69 N 5.66 0.00 -4.09 1.61 0.63 -1.26 -5.04 116.66 114.17 2kmn n ARG 69 Ca 0.03 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.61 2kmn n ARG 69 Cb 0.48 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.30 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 3.80 -0.02 6.15 1.43 0.37 -5.00 118.68 125.39 2kmn s LEU 70 Ca 0.00 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2kmn s LEU 70 Cb 0.00 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2kmn s LEU 70 CO 0.00 0.24 -0.05 0.54 0.23 0.00 0.00 176.35 177.31 2kmn s VAL 71 N -0.05 0.49 0.00 -1.59 0.11 -1.26 0.11 120.40 118.22 2kmn s VAL 71 Ca 0.06 -0.17 -0.00 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 34.25 2kmn s VAL 71 CO 0.01 0.18 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.20 2kmn s LEU 72 N 0.44 2.04 -0.06 2.54 2.01 0.31 -4.41 118.68 121.55 2kmn s LEU 72 Ca -0.05 -0.09 0.06 0.00 0.01 0.00 0.00 54.13 54.06 2kmn s LEU 72 Cb -0.09 0.02 -0.01 0.00 0.01 0.00 0.00 46.19 46.12 2kmn s LEU 72 CO -0.00 -0.05 -0.24 -0.63 1.01 0.00 0.00 176.35 176.43 2kmn s ILE 73 N -0.25 2.01 -1.51 -0.59 -1.09 0.54 -1.26 121.20 119.03 2kmn s ILE 73 Ca -0.03 -1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 57.22 2kmn s ILE 73 Cb -0.02 -1.71 0.09 0.00 -1.58 0.00 0.00 42.46 39.25 2kmn s ILE 73 CO -0.00 0.56 0.81 0.59 -1.23 0.00 0.00 174.94 175.67 2kmn n ASN 74 N 3.07 -4.35 -4.61 3.58 5.03 0.18 -1.94 115.26 116.22 2kmn n ASN 74 Ca -0.18 -0.71 -0.38 0.00 0.87 0.00 0.00 54.58 54.19 2kmn n ASN 74 Cb 0.52 -3.51 0.05 0.00 -1.02 0.00 0.00 39.78 35.82 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2kmn n PRO 75 N -4.37 0.86 -4.15 3.52 -0.02 -1.26 -4.79 135.00 124.80 2kmn n PRO 75 Ca 0.03 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 2kmn n PRO 75 Cb 0.53 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.75 0.47 0.08 -0.52 -1.05 0.19 -4.94 118.70 110.17 2kmn s GLU 76 Ca 0.76 -0.33 -0.28 0.00 -0.15 0.00 0.00 54.97 54.97 2kmn s GLU 76 Cb -0.41 -0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 32.82 2kmn s GLU 76 CO 0.47 0.10 0.89 -1.17 0.95 0.00 0.00 175.26 176.50 2kmn s LEU 77 N -0.47 4.47 -0.11 1.83 0.20 -1.26 -0.29 118.68 123.04 2kmn s LEU 77 Ca -0.01 1.65 0.03 0.00 0.69 0.00 0.00 54.13 56.49 2kmn s LEU 77 Cb -0.04 -3.45 -0.09 0.00 -0.43 0.00 0.00 46.19 42.18 2kmn s LEU 77 CO -0.00 -0.05 -0.07 0.18 -0.29 0.00 0.00 176.35 176.12 2kmn n LEU 78 N 2.89 2.25 -3.49 -0.68 4.32 0.94 -4.92 117.00 118.32 2kmn n LEU 78 Ca 0.01 -0.05 -0.16 0.00 -0.02 0.00 0.00 56.01 55.79 2kmn n LEU 78 Cb 0.50 -0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 41.99 2kmn n LEU 78 CO 0.50 0.59 0.44 -0.70 -1.22 0.00 0.00 177.39 176.99 2kmn s GLU 79 N -2.24 1.13 0.01 3.23 2.12 -0.54 -4.91 118.70 117.49 2kmn s GLU 79 Ca -0.13 -0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.07 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 0.30 -0.41 0.25 -1.59 -0.54 0.00 0.00 175.26 173.27 2kmn s LYS 80 N -2.13 0.66 -0.24 4.30 0.00 -1.26 -0.62 119.74 120.46 2kmn s LYS 80 Ca -0.06 -0.37 -0.26 0.00 0.00 0.00 0.00 55.97 55.28 2kmn s LYS 80 Cb -0.00 0.28 0.07 0.00 0.00 0.00 0.00 37.83 38.18 2kmn s LYS 80 CO 0.01 -0.18 0.73 -1.12 0.00 0.00 0.00 175.35 174.79 2kmn s SER 81 N -1.61 -0.72 0.00 0.03 0.01 0.82 -4.95 113.70 107.28 2kmn s SER 81 Ca -0.11 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2kmn s SER 81 Cb -0.04 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.48 2kmn s SER 81 CO 0.01 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2kmn n GLY 82 N 2.39 -1.99 2.85 3.44 0.00 -1.26 0.11 105.19 110.73 2kmn n GLY 82 Ca -0.15 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 2kmn n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kmn s GLU 83 N -2.17 0.18 0.27 1.61 2.02 -1.26 -1.73 118.70 117.62 2kmn s GLU 83 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.47 2kmn s GLU 83 Cb 0.00 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 2kmn s GLU 83 CO 0.00 -0.52 0.39 0.95 0.02 0.00 0.00 175.26 176.11 2kmn s THR 84 N 2.38 5.04 -0.30 3.63 -4.23 0.22 -4.87 115.64 117.51 2kmn s THR 84 Ca 0.06 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 2kmn s THR 84 Cb -0.14 -3.78 0.10 0.00 1.34 0.00 0.00 72.50 70.01 2kmn s THR 84 CO -0.11 -0.32 0.10 -0.83 -0.54 0.00 0.00 174.62 172.93 2kmn s GLY 85 N -4.02 0.88 -0.06 3.99 0.00 -1.26 -2.07 107.32 104.78 2kmn s GLY 85 Ca 0.36 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 2kmn s GLY 85 CO 0.30 1.74 0.14 -0.42 0.00 0.00 0.00 173.10 174.86 2kmn s ILE 86 N 1.77 -0.02 0.37 0.90 -1.09 -1.25 -4.91 121.20 116.97 2kmn s ILE 86 Ca 0.09 0.08 -0.26 0.00 -2.23 0.00 0.00 60.65 58.33 2kmn s ILE 86 Cb -0.17 -0.22 -0.09 0.00 -1.58 0.00 0.00 42.46 40.40 2kmn s ILE 86 CO -0.28 0.03 1.11 -1.61 -1.23 0.00 0.00 174.94 172.97 2kmn s GLU 87 N 0.57 4.22 0.21 2.79 2.02 -1.26 -2.36 118.70 124.89 2kmn s GLU 87 Ca -0.04 1.72 -0.16 0.00 0.02 0.00 0.00 54.97 56.51 2kmn s GLU 87 Cb -0.06 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.45 2kmn s GLU 87 CO -0.03 -0.14 0.50 -1.21 0.02 0.00 0.00 175.26 174.40 2kmn s GLU 88 N -2.19 1.41 0.27 1.61 2.02 -0.79 -4.86 118.70 116.18 2kmn s GLU 88 Ca 0.55 -0.99 0.12 0.00 0.02 0.00 0.00 54.97 54.67 2kmn s GLU 88 Cb -0.28 0.50 -0.05 0.00 0.10 0.00 0.00 34.13 34.40 2kmn s GLU 88 CO 0.35 -0.59 -0.20 0.20 0.02 0.00 0.00 175.26 175.04 2kmn s GLY 89 N -2.92 1.87 -0.07 -1.39 0.00 -1.26 -0.29 107.32 103.27 2kmn s GLY 89 Ca 0.13 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 43.00 2kmn s GLY 89 CO 0.01 -1.95 -0.09 0.00 0.00 0.00 0.00 173.10 171.07 2kmn h LEU 91 N 5.44 0.18 -0.25 0.00 7.12 -1.91 0.92 115.31 126.81 2kmn h LEU 91 Ca -0.46 0.03 -0.13 0.00 0.13 0.00 0.00 57.88 57.45 2kmn h LEU 91 Cb 1.17 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.28 2kmn h LEU 91 CO 0.52 0.05 -0.63 0.28 -0.13 0.00 0.00 178.44 178.53 2kmn h SER 92 N 0.16 0.00 -3.67 1.25 0.02 -1.85 -3.45 113.55 106.01 2kmn h SER 92 Ca 0.51 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.95 2kmn h SER 92 Cb 1.70 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.21 2kmn h SER 92 CO -0.10 0.63 0.09 -0.63 -1.14 0.00 0.00 176.83 175.68 2kmn s ILE 93 N -3.07 4.66 0.00 3.27 1.01 0.32 -1.13 121.20 126.25 2kmn s ILE 93 Ca 0.02 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.66 2kmn s ILE 93 Cb 0.09 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.69 2kmn s ILE 93 CO 0.76 -0.06 3.00 -0.81 0.00 0.00 0.00 174.94 177.83 2kmn n PRO 94 N -0.02 1.61 -0.99 2.79 -0.04 -1.26 -4.54 135.00 132.55 2kmn n PRO 94 Ca 0.02 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 2kmn n PRO 94 Cb 0.52 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2kmn n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kmn n GLU 95 N 2.31 0.00 -2.46 0.54 4.71 -1.26 -4.96 120.64 119.52 2kmn n GLU 95 Ca 0.30 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 57.07 2kmn n GLU 95 Cb 0.75 -2.70 -0.03 0.00 -1.01 0.00 0.00 31.44 28.44 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 -0.01 3.38 0.03 3.49 -0.21 -1.26 -4.88 119.66 120.20 2kmn s GLN 96 Ca 0.00 -0.95 -0.26 0.00 0.02 0.00 0.00 55.36 54.17 2kmn s GLN 96 Cb 0.00 -5.30 -0.05 0.00 1.00 0.00 0.00 33.01 28.66 2kmn s GLN 96 CO 0.00 -2.44 0.79 1.03 -2.12 0.00 0.00 175.29 172.55 2kmn s ARG 97 N 5.38 4.51 0.07 2.91 0.52 -1.25 -4.61 118.95 126.49 2kmn s ARG 97 Ca 0.51 1.11 0.07 0.00 -0.52 0.00 0.00 55.73 56.89 2kmn s ARG 97 Cb -0.01 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2kmn s ARG 97 CO -0.08 0.21 -0.18 0.00 0.02 0.00 0.00 175.30 175.27 2kmn s ALA 98 N 0.17 1.57 0.18 2.13 0.00 0.60 -4.65 121.76 121.77 2kmn s ALA 98 Ca 0.40 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2kmn s ALA 98 Cb -0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 2kmn s ALA 98 CO 0.23 0.31 1.11 -1.17 0.00 0.00 0.00 175.76 176.24 2kmn s LEU 99 N -1.60 4.48 -0.05 0.00 0.20 -1.26 -1.88 118.68 118.57 2kmn s LEU 99 Ca 0.04 2.10 0.02 0.00 0.69 0.00 0.00 54.13 56.99 2kmn s LEU 99 Cb -0.09 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.08 2kmn s LEU 99 CO 0.03 -0.24 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.08 2kmn s VAL 100 N -0.22 0.80 -0.08 1.68 1.01 -0.99 -4.87 120.40 117.72 2kmn s VAL 100 Ca 0.50 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2kmn s VAL 100 Cb -0.30 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2kmn s VAL 100 CO 0.35 0.27 1.08 -2.16 0.00 0.00 0.00 175.10 174.64 2kmn s PRO 101 N 0.63 4.40 0.14 2.72 0.04 -1.26 -3.81 135.00 137.86 2kmn s PRO 101 Ca -0.10 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 2kmn s PRO 101 Cb -0.13 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 2kmn s PRO 101 CO 0.01 -0.36 0.10 -0.98 0.04 0.00 0.00 177.00 175.81 2kmn s ARG 102 N 2.07 0.98 0.66 4.56 3.03 -0.88 -4.95 118.95 124.41 2kmn s ARG 102 Ca 0.51 -1.40 -0.15 0.00 2.03 0.00 0.00 55.73 56.72 2kmn s ARG 102 Cb -0.21 0.27 -0.00 0.00 -1.03 0.00 0.00 34.95 33.98 2kmn s ARG 102 CO 0.20 -0.30 1.12 0.00 -1.13 0.00 0.00 175.30 175.19 2kmn s ALA 103 N -4.04 2.46 0.05 7.88 0.00 -1.24 0.70 121.76 127.57 2kmn s ALA 103 Ca 0.23 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2kmn s ALA 103 Cb 0.07 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.68 2kmn s ALA 103 CO 0.02 -1.28 1.23 1.49 0.00 0.00 0.00 175.76 177.22 2kmn h GLU 104 N 0.07 0.54 -3.76 0.00 4.81 0.17 -3.42 114.58 112.99 2kmn h GLU 104 Ca -0.47 -0.44 -0.25 0.00 -0.13 0.00 0.00 59.36 58.07 2kmn h GLU 104 Cb 1.25 0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.43 2kmn h GLU 104 CO 0.54 1.07 -0.73 0.15 -0.73 0.00 0.00 179.01 179.31 2kmn s LYS 105 N -3.68 0.05 -0.06 1.92 1.02 0.07 -0.86 119.74 118.20 2kmn s LYS 105 Ca -0.13 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 2kmn s LYS 105 Cb 0.06 -0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.28 2kmn s LYS 105 CO 0.83 -0.02 0.16 0.14 -0.92 0.00 0.00 175.35 175.55 2kmn s VAL 106 N 0.18 0.00 -0.19 3.17 -7.23 0.32 -0.13 120.40 116.52 2kmn s VAL 106 Ca -0.01 -0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 2kmn s VAL 106 Cb -0.03 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 2kmn s VAL 106 CO -0.01 -0.01 0.00 -0.54 -0.31 0.00 0.00 175.10 174.23 2kmn s LYS 107 N 0.03 3.67 0.16 4.82 -0.14 0.21 0.54 119.74 129.03 2kmn s LYS 107 Ca -0.01 -0.50 0.04 0.00 -1.36 0.00 0.00 55.97 54.14 2kmn s LYS 107 Cb -0.01 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 2kmn s LYS 107 CO 0.00 0.07 -0.07 0.96 -0.76 0.00 0.00 175.35 175.55 2kmn s ILE 108 N 0.85 1.08 -0.09 2.17 -5.25 0.11 -0.04 121.20 120.03 2kmn s ILE 108 Ca 0.01 -2.04 -0.01 0.00 -0.99 0.00 0.00 60.65 57.62 2kmn s ILE 108 Cb -0.14 -1.95 -0.03 0.00 2.95 0.00 0.00 42.46 43.29 2kmn s ILE 108 CO 0.02 -0.66 -0.05 -0.13 -1.79 0.00 0.00 174.94 172.33 2kmn s ARG 109 N -3.79 3.01 0.22 0.37 0.52 0.60 0.71 118.95 120.59 2kmn s ARG 109 Ca 0.19 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.72 2kmn s ARG 109 Cb 0.04 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.82 2kmn s ARG 109 CO 0.02 0.57 0.53 0.00 0.02 0.00 0.00 175.30 176.44 2kmn s ALA 110 N -0.54 -0.79 0.12 2.13 0.00 0.14 0.54 121.76 123.37 2kmn s ALA 110 Ca 0.08 -0.40 0.09 0.00 0.00 0.00 0.00 51.96 51.74 2kmn s ALA 110 Cb -0.12 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2kmn s ALA 110 CO 0.02 -0.84 -0.18 -0.48 0.00 0.00 0.00 175.76 174.28 2kmn s LEU 111 N -2.91 2.69 0.76 0.00 0.05 -0.82 0.16 118.68 118.60 2kmn s LEU 111 Ca 0.12 -0.58 -0.08 0.00 0.05 0.00 0.00 54.13 53.64 2kmn s LEU 111 Cb -0.01 -1.52 0.08 0.00 -2.05 0.00 0.00 46.19 42.69 2kmn s LEU 111 CO 0.01 0.17 1.08 -0.62 -0.55 0.00 0.00 176.35 176.45 2kmn s ASP 112 N -2.21 4.53 0.62 1.48 2.15 -0.92 0.20 116.67 122.53 2kmn s ASP 112 Ca 0.18 0.46 0.30 0.00 0.43 0.00 0.00 52.55 53.92 2kmn s ASP 112 Cb -0.10 -0.99 1.65 0.00 -0.30 0.00 0.00 42.92 43.17 2kmn s ASP 112 CO 0.10 -1.81 2.00 -0.09 -0.17 0.00 0.00 175.17 175.20 2kmn h ARG 113 N -0.81 0.00 0.00 4.34 2.43 -1.93 0.43 114.38 118.84 2kmn h ARG 113 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2kmn h ARG 113 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2kmn h ARG 113 CO 0.58 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.79 2kmn n ASP 114 N -3.42 0.75 -0.17 -3.80 9.92 -1.26 -4.82 116.55 113.74 2kmn n ASP 114 Ca 0.02 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 2kmn n ASP 114 Cb 0.43 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 2kmn n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmn n GLY 115 N 1.26 0.98 2.84 0.44 0.00 0.15 -5.07 105.19 105.80 2kmn n GLY 115 Ca 0.06 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.70 1.06 -0.26 1.61 1.02 -1.25 -4.88 119.74 115.33 2kmn s LYS 116 Ca 0.00 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 2kmn s LYS 116 Cb 0.00 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2kmn s LYS 116 CO 0.00 -0.88 1.41 -2.14 -0.92 0.00 0.00 175.35 172.82 2kmn s PRO 117 N 1.42 3.89 0.34 -1.68 0.02 -1.26 -2.16 135.00 135.57 2kmn s PRO 117 Ca 0.07 1.42 0.05 0.00 0.02 0.00 0.00 61.00 62.55 2kmn s PRO 117 Cb -0.18 -3.93 -0.07 0.00 0.02 0.00 0.00 34.50 30.34 2kmn s PRO 117 CO -0.16 -1.16 0.02 -0.59 -0.33 0.00 0.00 177.00 174.78 2kmn s PHE 118 N 4.62 2.10 -0.16 6.54 -0.12 0.42 -4.87 117.98 126.50 2kmn s PHE 118 Ca 0.62 -0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2kmn s PHE 118 Cb -0.20 -1.37 -0.03 0.00 -0.63 0.00 0.00 43.02 40.79 2kmn s PHE 118 CO 0.25 0.17 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.37 2kmn s GLU 119 N -3.81 3.75 -0.05 1.99 2.02 -1.26 0.27 118.70 121.61 2kmn s GLU 119 Ca 0.35 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.91 2kmn s GLU 119 Cb 0.08 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.32 2kmn s GLU 119 CO 0.15 0.26 -0.16 -0.48 0.02 0.00 0.00 175.26 175.05 2kmn s LEU 120 N 0.35 1.87 -0.23 1.80 0.05 0.22 -4.96 118.68 117.78 2kmn s LEU 120 Ca -0.02 -0.34 -0.14 0.00 0.05 0.00 0.00 54.13 53.68 2kmn s LEU 120 Cb -0.14 -0.93 -0.04 0.00 -2.05 0.00 0.00 46.19 43.03 2kmn s LEU 120 CO 0.02 0.13 0.30 -1.83 -0.55 0.00 0.00 176.35 174.42 2kmn s GLU 121 N 0.16 4.11 -0.07 1.48 -1.05 -1.26 0.04 118.70 122.11 2kmn s GLU 121 Ca -0.06 -0.01 0.04 0.00 -0.15 0.00 0.00 54.97 54.79 2kmn s GLU 121 Cb -0.12 -3.56 -0.02 0.00 -0.44 0.00 0.00 34.13 29.99 2kmn s GLU 121 CO 0.03 -0.04 -0.19 0.00 0.95 0.00 0.00 175.26 176.01 2kmn s ALA 122 N 1.33 2.43 0.28 -0.84 0.00 0.19 -4.94 121.76 120.20 2kmn s ALA 122 Ca 0.14 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2kmn s ALA 122 Cb -0.14 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 2kmn s ALA 122 CO 0.07 0.43 -0.06 -0.51 0.00 0.00 0.00 175.76 175.69 2kmn s ASP 123 N -0.25 2.71 0.45 0.00 1.11 -1.26 0.12 116.67 119.55 2kmn s ASP 123 Ca 0.00 -1.19 0.00 0.00 0.18 0.00 0.00 52.55 51.54 2kmn s ASP 123 Cb -0.13 -0.16 0.00 0.00 1.07 0.00 0.00 42.92 43.70 2kmn s ASP 123 CO 0.03 -0.35 0.00 0.61 1.18 0.00 0.00 175.17 176.64 2kmn n GLY 124 N -0.57 2.54 0.38 0.21 0.00 -0.04 -0.95 105.19 106.76 2kmn n GLY 124 Ca -0.05 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.53 0.15 0.99 4.07 -1.98 0.41 115.31 119.48 2kmn h LEU 125 Ca 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2kmn h LEU 125 Cb 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2kmn h LEU 125 CO 0.00 0.27 -0.07 0.25 -1.08 0.00 0.00 178.44 177.81 2kmn h LEU 126 N 0.56 -0.17 -0.91 1.67 6.46 -1.48 -1.96 115.31 119.49 2kmn h LEU 126 Ca 0.42 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 2kmn h LEU 126 Cb 0.79 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.71 2kmn h LEU 126 CO -0.17 0.32 0.59 0.00 -0.62 0.00 0.00 178.44 178.56 2kmn h ALA 127 N -0.02 1.21 0.28 1.25 0.00 -0.33 -1.07 119.26 120.58 2kmn h ALA 127 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kmn h ALA 127 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kmn h ALA 127 CO 0.03 0.43 -0.13 0.82 0.00 0.00 0.00 179.25 180.40 2kmn h ILE 128 N 1.13 0.69 -0.08 0.00 1.08 -0.25 -2.13 117.51 117.95 2kmn h ILE 128 Ca 0.37 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 2kmn h ILE 128 Cb 0.03 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2kmn h ILE 128 CO -0.13 0.14 -0.04 0.00 -0.69 0.00 0.00 178.15 177.43 2kmn h ILE 130 N -0.04 1.16 -0.42 0.00 2.10 -1.30 -1.65 117.51 117.36 2kmn h ILE 130 Ca 0.05 -0.29 -0.10 0.00 1.08 0.00 0.00 64.86 65.59 2kmn h ILE 130 Cb 0.11 0.26 -0.02 0.00 -1.09 0.00 0.00 36.82 36.08 2kmn h ILE 130 CO -0.11 0.15 -0.15 0.06 -1.08 0.00 0.00 178.15 177.02 2kmn h GLN 131 N 0.83 0.78 -0.43 2.19 3.07 -1.13 -2.30 115.11 118.13 2kmn h GLN 131 Ca 0.22 -0.28 0.05 0.00 0.09 0.00 0.00 58.65 58.74 2kmn h GLN 131 Cb -0.09 -0.05 -0.05 0.00 0.08 0.00 0.00 27.48 27.37 2kmn h GLN 131 CO -0.05 0.89 0.15 1.25 0.09 0.00 0.00 178.83 181.16 2kmn h HIS 132 N 0.70 0.27 -0.67 0.06 2.76 -0.19 -1.47 115.15 116.60 2kmn h HIS 132 Ca 0.11 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.65 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 2kmn h HIS 132 CO 0.03 0.10 0.42 0.93 -1.30 0.00 0.00 177.93 178.11 2kmn h GLU 133 N 0.32 0.91 -0.05 5.26 4.39 -1.04 0.18 114.58 124.55 2kmn h GLU 133 Ca 0.20 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2kmn h GLU 133 Cb 0.19 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kmn h GLU 133 CO -0.21 0.64 0.03 0.52 -1.16 0.00 0.00 179.01 178.83 2kmn h MET 134 N 0.91 0.07 -0.28 2.33 2.86 -0.81 0.29 114.93 120.30 2kmn h MET 134 Ca 0.24 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2kmn h MET 134 Cb -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2kmn h MET 134 CO -0.05 0.09 0.05 0.38 1.06 0.00 0.00 176.91 178.44 2kmn h ASP 135 N 0.02 0.45 0.22 1.22 2.03 -1.16 -2.34 116.42 116.86 2kmn h ASP 135 Ca 0.02 -0.26 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 2kmn h ASP 135 Cb 0.05 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.43 2kmn h ASP 135 CO -0.00 0.59 -0.12 -0.74 -1.03 0.00 0.00 179.24 177.94 2kmn h HIS 136 N 0.29 -0.31 0.00 4.15 2.76 -0.25 0.46 115.15 122.25 2kmn h HIS 136 Ca 0.09 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2kmn h HIS 136 Cb 0.34 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2kmn h HIS 136 CO 0.02 -0.19 -0.12 1.37 -1.30 0.00 0.00 177.93 177.72 2kmn h LEU 137 N -0.32 0.00 -1.30 0.26 8.10 -0.42 0.69 115.31 122.33 2kmn h LEU 137 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2kmn h LEU 137 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2kmn h LEU 137 CO 0.04 0.12 0.01 0.55 -4.11 0.00 0.00 178.44 175.04 2kmn n VAL 138 N -4.31 0.31 -1.93 0.15 3.14 -0.89 -1.57 118.33 113.23 2kmn n VAL 138 Ca -0.03 -0.09 -0.17 0.00 -2.96 0.00 0.00 64.34 61.10 2kmn n VAL 138 Cb 0.19 -0.56 -0.04 0.00 -1.06 0.00 0.00 33.84 32.37 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 0.09 0.62 3.21 7.55 0.00 0.24 -3.53 105.19 113.38 2kmn n GLY 139 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.19 3.00 0.03 1.61 -2.85 0.16 -4.08 119.74 113.42 2kmn s LYS 140 Ca 0.00 -0.86 0.02 0.00 -1.00 0.00 0.00 55.97 54.13 2kmn s LYS 140 Cb 0.00 -2.91 -0.02 0.00 -2.06 0.00 0.00 37.83 32.84 2kmn s LYS 140 CO 0.00 -0.31 -0.07 -0.51 0.10 0.00 0.00 175.35 174.55 2kmn s LEU 141 N 1.36 2.20 0.41 2.77 2.01 -1.26 -2.36 118.68 123.81 2kmn s LEU 141 Ca 0.02 -0.45 0.09 0.00 0.01 0.00 0.00 54.13 53.81 2kmn s LEU 141 Cb -0.15 -0.20 0.88 0.00 0.01 0.00 0.00 46.19 46.73 2kmn s LEU 141 CO -0.06 -0.14 2.00 -0.26 1.01 0.00 0.00 176.35 178.91 2kmn h PHE 142 N 4.84 0.33 -0.34 0.29 -1.00 -1.97 -2.26 116.94 116.84 2kmn h PHE 142 Ca -0.34 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.53 2kmn h PHE 142 Cb 1.20 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 2kmn h PHE 142 CO 0.59 0.30 0.48 1.98 -1.61 0.00 0.00 178.31 180.05 2kmn h MET 143 N 0.33 0.00 -0.48 1.51 4.05 -1.96 -1.88 114.93 116.50 2kmn h MET 143 Ca 0.08 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.64 2kmn h MET 143 Cb 0.15 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2kmn h MET 143 CO -0.00 0.00 0.66 0.22 0.23 0.00 0.00 176.91 178.01 2kmn h ASP 144 N 0.00 0.00 -0.92 1.39 3.58 -1.84 -1.02 116.42 117.61 2kmn h ASP 144 Ca 0.16 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.17 2kmn h ASP 144 Cb 1.12 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.75 2kmn h ASP 144 CO -0.00 0.00 -0.96 0.00 -2.88 0.00 0.00 179.24 175.40 2kmn n TYR 145 N -3.38 2.17 -3.54 0.28 9.36 -0.71 -5.08 117.16 116.26 2kmn n TYR 145 Ca 0.09 -2.56 -0.36 0.00 3.32 0.00 0.00 57.90 58.39 2kmn n TYR 145 Cb 0.84 -0.26 -0.06 0.00 -0.63 0.00 0.00 39.34 39.23 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 -3.52 4.41 0.00 2.98 1.43 -0.39 -5.15 118.68 118.44 2kmn s LEU 146 Ca 0.39 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 2kmn s LEU 146 Cb 0.40 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2kmn s LEU 146 CO -0.04 0.25 0.00 -0.24 0.23 0.00 0.00 176.35 176.56