#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 4.95 0.34 2.46 1.01 -1.26 -4.28 120.40 123.62 2kmn s VAL 2 Ca 0.00 1.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 2kmn s VAL 2 Cb 0.00 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.31 2kmn s VAL 2 CO 0.00 0.17 0.46 0.00 0.00 0.00 0.00 175.10 175.72 2kmn n LEU 3 N 4.20 0.00 -4.56 3.92 -0.00 -1.26 -4.96 117.00 114.33 2kmn n LEU 3 Ca 0.02 -0.50 -0.43 0.00 -0.00 0.00 0.00 56.01 55.11 2kmn n LEU 3 Cb 0.51 -0.35 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 2kmn n LEU 3 CO 0.49 -0.85 0.91 -1.58 -0.00 0.00 0.00 177.39 176.36 2kmn s GLN 4 N -4.00 3.46 -0.11 1.47 2.00 -1.26 -5.01 119.66 116.21 2kmn s GLN 4 Ca 0.26 0.07 -0.22 0.00 -2.00 0.00 0.00 55.36 53.46 2kmn s GLN 4 Cb -0.01 -4.01 -0.03 0.00 0.80 0.00 0.00 33.01 29.76 2kmn s GLN 4 CO 0.18 -1.52 0.67 0.08 -0.50 0.00 0.00 175.29 174.20 2kmn s VAL 5 N 4.37 5.04 0.11 1.34 1.01 -1.26 -3.68 120.40 127.34 2kmn s VAL 5 Ca 0.38 1.34 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 2kmn s VAL 5 Cb -0.10 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 2kmn s VAL 5 CO 0.24 0.21 0.70 -0.76 0.00 0.00 0.00 175.10 175.49 2kmn s LEU 6 N 1.15 4.54 0.07 3.92 1.43 0.12 -4.96 118.68 124.95 2kmn s LEU 6 Ca 0.34 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 2kmn s LEU 6 Cb -0.17 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 2kmn s LEU 6 CO 0.15 0.19 -0.12 -1.00 0.23 0.00 0.00 176.35 175.80 2kmn s HIS 7 N -0.92 2.72 0.58 0.29 3.76 -1.26 -4.11 115.29 116.35 2kmn s HIS 7 Ca 0.34 -0.16 -0.20 0.00 -0.15 0.00 0.00 55.06 54.89 2kmn s HIS 7 Cb -0.21 -1.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.96 2kmn s HIS 7 CO 0.23 0.37 1.16 -0.89 -0.85 0.00 0.00 174.74 174.76 2kmn n ILE 8 N 1.11 3.87 -1.73 0.60 2.08 -0.38 -1.40 119.36 123.51 2kmn n ILE 8 Ca -0.15 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.34 2kmn n ILE 8 Cb 0.52 -1.38 -0.02 0.00 -0.75 0.00 0.00 39.64 38.01 2kmn n ILE 8 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kmn n PRO 9 N -1.08 2.94 -1.69 0.38 -0.04 -1.26 -4.92 135.00 129.34 2kmn n PRO 9 Ca 0.13 -2.91 -0.44 0.00 -0.04 0.00 0.00 63.50 60.23 2kmn n PRO 9 Cb 0.46 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 2kmn n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kmn n ASP 10 N 0.57 2.92 -0.18 3.54 2.03 -0.49 -4.90 116.55 120.05 2kmn n ASP 10 Ca 0.52 1.15 -0.06 0.00 0.52 0.00 0.00 54.79 56.92 2kmn n ASP 10 Cb 0.42 -1.46 0.03 0.00 -0.72 0.00 0.00 41.12 39.39 2kmn n ASP 10 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kmn h GLU 11 N 3.99 0.65 -0.22 -0.67 4.11 -1.96 -2.16 114.58 118.32 2kmn h GLU 11 Ca -0.45 -0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.00 2kmn h GLU 11 Cb 1.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2kmn h GLU 11 CO 0.74 0.43 0.24 0.00 0.07 0.00 0.00 179.01 180.49 2kmn h ARG 12 N 0.67 0.00 -0.01 1.06 2.47 -1.90 0.65 114.38 117.32 2kmn h ARG 12 Ca 0.20 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.72 2kmn h ARG 12 Cb -0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2kmn h ARG 12 CO -0.07 0.00 -0.86 -0.07 0.56 0.00 0.00 179.97 179.53 2kmn h LEU 13 N 0.00 0.36 -2.49 3.04 3.38 -1.56 -2.59 115.31 115.45 2kmn h LEU 13 Ca 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kmn h LEU 13 Cb 0.59 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kmn h LEU 13 CO -0.00 1.06 0.00 0.54 0.09 0.00 0.00 178.44 180.13 2kmn n ARG 14 N -3.72 2.95 -3.18 1.13 5.12 0.61 -3.57 116.66 116.01 2kmn n ARG 14 Ca -0.04 -2.30 -0.35 0.00 -1.93 0.00 0.00 57.85 53.22 2kmn n ARG 14 Cb 0.79 -1.67 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 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 4.14 -0.26 5.56 2.36 0.20 -4.26 119.74 125.91 2kmn s LYS 15 Ca 0.42 0.73 -0.27 0.00 -2.55 0.00 0.00 55.97 54.30 2kmn s LYS 15 Cb 0.25 -2.84 0.01 0.00 -1.05 0.00 0.00 37.83 34.20 2kmn s LYS 15 CO 0.23 0.39 0.97 0.08 1.55 0.00 0.00 175.35 178.57 2kmn s VAL 16 N -1.57 4.69 0.47 4.02 1.01 -1.26 -0.63 120.40 127.13 2kmn s VAL 16 Ca 0.43 1.77 -0.20 0.00 0.00 0.00 0.00 61.98 63.98 2kmn s VAL 16 Cb -0.15 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 2kmn s VAL 16 CO 0.20 -0.23 0.99 0.00 0.00 0.00 0.00 175.10 176.06 2kmn s ALA 17 N 3.19 2.98 -0.10 5.51 0.00 -0.29 -4.82 121.76 128.22 2kmn s ALA 17 Ca 0.41 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.82 2kmn s ALA 17 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2kmn s ALA 17 CO 0.09 -0.10 -0.14 -1.59 0.00 0.00 0.00 175.76 174.01 2kmn s LYS 18 N -3.36 3.08 -0.32 0.00 0.00 -1.24 -4.43 119.74 113.47 2kmn s LYS 18 Ca 0.63 -0.71 -0.29 0.00 0.00 0.00 0.00 55.97 55.61 2kmn s LYS 18 Cb -0.12 -2.52 0.01 0.00 0.00 0.00 0.00 37.83 35.20 2kmn s LYS 18 CO 0.19 0.34 1.14 -1.25 0.00 0.00 0.00 175.35 175.77 2kmn s PRO 19 N 0.02 4.02 0.43 1.78 0.04 -1.26 -1.27 135.00 138.76 2kmn s PRO 19 Ca -0.05 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 2kmn s PRO 19 Cb -0.14 -3.78 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 2kmn s PRO 19 CO 0.04 -0.97 1.23 0.08 0.04 0.00 0.00 177.00 177.42 2kmn s VAL 20 N 3.86 2.87 0.50 -0.36 1.01 -1.26 -4.92 120.40 122.10 2kmn s VAL 20 Ca 0.48 0.72 0.20 0.00 0.00 0.00 0.00 61.98 63.38 2kmn s VAL 20 Cb -0.13 -3.40 0.27 0.00 0.00 0.00 0.00 36.38 33.12 2kmn s VAL 20 CO 0.18 0.05 2.12 -0.33 0.00 0.00 0.00 175.10 177.12 2kmn h GLU 21 N 2.39 0.00 -2.32 2.72 5.08 -2.04 -3.44 114.58 116.97 2kmn h GLU 21 Ca -0.49 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 2kmn h GLU 21 Cb 1.25 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.29 2kmn h GLU 21 CO 0.61 0.07 0.01 -2.00 -1.00 0.00 0.00 179.01 176.70 2kmn s GLU 22 N -4.74 0.83 -0.58 2.33 2.12 -1.26 -5.12 118.70 112.29 2kmn s GLU 22 Ca -0.04 0.42 -0.28 0.00 0.36 0.00 0.00 54.97 55.42 2kmn s GLU 22 Cb 0.16 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.64 -0.20 1.25 0.08 -0.54 0.00 0.00 175.26 176.49 2kmn s VAL 23 N -0.58 3.96 0.25 3.70 1.01 -1.26 -5.01 120.40 122.47 2kmn s VAL 23 Ca -0.07 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 2kmn s VAL 23 Cb -0.03 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 2kmn s VAL 23 CO 0.05 -1.31 0.51 0.20 0.00 0.00 0.00 175.10 174.55 2kmn s ASN 24 N 3.29 6.45 0.61 3.32 0.01 -1.26 -4.90 114.94 122.47 2kmn s ASN 24 Ca 0.45 0.66 0.30 0.00 -0.71 0.00 0.00 52.86 53.56 2kmn s ASN 24 Cb -0.08 -2.12 1.63 0.00 0.41 0.00 0.00 41.25 41.09 2kmn s ASN 24 CO 0.25 -0.13 2.01 0.00 -1.51 0.00 0.00 177.10 177.72 2kmn h ALA 25 N 1.92 1.78 -0.05 0.60 0.00 -1.98 1.01 119.26 122.54 2kmn h ALA 25 Ca -0.47 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2kmn h ALA 25 Cb 1.19 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2kmn h ALA 25 CO 0.67 -0.43 -0.84 0.93 0.00 0.00 0.00 179.25 179.58 2kmn h GLU 26 N 0.00 0.67 -0.20 0.00 5.08 -2.00 -2.23 114.58 115.91 2kmn h GLU 26 Ca 0.10 -0.65 -0.10 0.00 -1.00 0.00 0.00 59.36 57.71 2kmn h GLU 26 Cb 0.73 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2kmn h GLU 26 CO -0.00 1.25 -0.32 0.82 -1.00 0.00 0.00 179.01 179.75 2kmn h ILE 27 N 0.33 1.28 -0.38 3.13 5.03 0.33 -2.12 117.51 125.12 2kmn h ILE 27 Ca -0.09 -1.38 -0.16 0.00 -0.12 0.00 0.00 64.86 63.11 2kmn h ILE 27 Cb 1.50 1.49 -0.01 0.00 -3.03 0.00 0.00 36.82 36.77 2kmn h ILE 27 CO 0.17 0.43 -0.40 1.56 -0.68 0.00 0.00 178.15 179.23 2kmn h GLN 28 N 0.35 0.94 -0.59 2.37 4.20 0.33 -2.57 115.11 120.13 2kmn h GLN 28 Ca 0.04 -0.50 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 2kmn h GLN 28 Cb 0.74 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2kmn h GLN 28 CO 0.06 1.16 0.13 0.00 -0.67 0.00 0.00 178.83 179.50 2kmn h ARG 29 N 0.75 0.93 -0.20 1.46 3.08 -1.25 -0.67 114.38 118.49 2kmn h ARG 29 Ca 0.06 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 59.94 2kmn h ARG 29 Cb 1.00 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 2kmn h ARG 29 CO 0.10 0.84 -0.07 0.82 -1.07 0.00 0.00 179.97 180.59 2kmn h ILE 30 N 0.89 0.75 -0.47 2.04 2.04 -1.15 0.41 117.51 122.01 2kmn h ILE 30 Ca 0.19 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.93 2kmn h ILE 30 Cb 0.35 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2kmn h ILE 30 CO 0.00 0.00 -0.17 0.58 0.00 0.00 0.00 178.15 178.56 2kmn h VAL 31 N -0.03 1.27 -0.90 1.67 2.07 -1.25 -0.26 116.25 118.81 2kmn h VAL 31 Ca 0.10 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.40 2kmn h VAL 31 Cb 0.19 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 2kmn h VAL 31 CO -0.23 0.46 0.54 0.44 0.02 0.00 0.00 177.57 178.80 2kmn h ASP 32 N 0.80 0.80 0.80 0.57 3.32 -0.57 0.15 116.42 122.29 2kmn h ASP 32 Ca 0.11 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 2kmn h ASP 32 Cb 0.74 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2kmn h ASP 32 CO 0.06 0.46 -0.82 0.44 -1.72 0.00 0.00 179.24 177.65 2kmn h ASP 33 N 0.91 0.02 -0.37 6.45 3.32 -0.79 -2.58 116.42 123.38 2kmn h ASP 33 Ca 0.43 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2kmn h ASP 33 Cb 0.37 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2kmn h ASP 33 CO -0.24 0.83 0.24 0.24 -1.72 0.00 0.00 179.24 178.59 2kmn h MET 34 N 0.01 0.49 -0.22 3.56 2.86 0.11 0.95 114.93 122.70 2kmn h MET 34 Ca -0.01 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.45 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 2kmn h MET 34 CO 0.11 0.34 -0.20 0.27 1.06 0.00 0.00 176.91 178.49 2kmn h PHE 35 N 0.50 0.63 -1.01 -0.22 -5.15 -1.26 0.25 116.94 110.68 2kmn h PHE 35 Ca 0.14 -0.18 0.15 0.00 -0.20 0.00 0.00 57.97 57.88 2kmn h PHE 35 Cb -0.04 -0.13 -0.10 0.00 0.22 0.00 0.00 35.95 35.90 2kmn h PHE 35 CO -0.05 0.86 0.62 0.93 -2.00 0.00 0.00 178.31 178.68 2kmn h GLU 36 N 0.22 0.86 0.32 6.09 4.39 -1.02 0.28 114.58 125.72 2kmn h GLU 36 Ca 0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kmn h GLU 36 Cb 0.74 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2kmn h GLU 36 CO 0.05 0.57 -0.15 1.15 -1.16 0.00 0.00 179.01 179.47 2kmn h THR 37 N 0.89 0.00 -0.99 1.13 2.02 0.12 -2.20 112.91 113.88 2kmn h THR 37 Ca 0.54 -0.43 0.27 0.00 0.77 0.00 0.00 66.41 67.56 2kmn h THR 37 Cb 0.68 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.96 2kmn h THR 37 CO -0.32 0.00 0.56 -0.03 0.37 0.00 0.00 175.52 176.10 2kmn h MET 38 N -0.86 0.44 -0.26 6.66 1.85 0.19 1.39 114.93 124.33 2kmn h MET 38 Ca -0.04 -0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 58.88 2kmn h MET 38 Cb 0.33 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.26 2kmn h MET 38 CO 0.07 0.29 -0.36 1.88 -0.40 0.00 0.00 176.91 178.39 2kmn h TYR 39 N 0.45 0.87 0.00 1.39 -1.99 -0.58 0.62 116.97 117.73 2kmn h TYR 39 Ca 0.67 -0.29 -0.00 0.00 2.00 0.00 0.00 58.73 61.11 2kmn h TYR 39 Cb 1.38 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.94 2kmn h TYR 39 CO -0.03 1.05 -0.02 0.00 -0.00 0.00 0.00 178.16 179.16 2kmn h ALA 40 N 0.67 1.29 0.00 3.88 0.00 0.21 1.13 119.26 126.45 2kmn h ALA 40 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kmn h ALA 40 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kmn h ALA 40 CO 0.08 0.03 -0.58 -1.91 0.00 0.00 0.00 179.25 176.87 2kmn n GLU 41 N -3.53 0.08 -2.20 0.00 4.07 0.25 -4.92 120.64 114.40 2kmn n GLU 41 Ca -0.03 0.02 -0.17 0.00 -0.06 0.00 0.00 57.16 56.92 2kmn n GLU 41 Cb 0.11 -1.54 -0.02 0.00 -0.06 0.00 0.00 31.44 29.93 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 -1.66 -1.31 -3.03 5.31 1.02 0.39 -4.98 120.64 116.38 2kmn n GLU 42 Ca 0.05 0.85 -0.37 0.00 -0.02 0.00 0.00 57.16 57.67 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 -2.33 2.70 0.00 0.62 0.00 0.20 -4.96 107.32 103.55 2kmn s GLY 43 Ca 0.00 0.26 0.31 0.00 0.00 0.00 0.00 44.72 45.28 2kmn s GLY 43 CO 0.00 0.66 2.13 1.39 0.00 0.00 0.00 173.10 177.28 2kmn n ILE 44 N 0.86 0.01 0.00 0.90 2.08 -1.26 -4.41 119.36 117.53 2kmn n ILE 44 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2kmn n ILE 44 Cb 0.50 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 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 1.00 1.37 3.14 7.39 0.00 -1.26 0.18 105.19 117.01 2kmn n GLY 45 Ca 0.21 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 1.91 -0.18 0.99 2.96 0.66 -4.91 118.68 120.10 2kmn s LEU 46 Ca 0.00 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2kmn s LEU 46 Cb 0.00 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 2kmn s LEU 46 CO 0.00 0.14 0.12 0.00 -1.32 0.00 0.00 176.35 175.30 2kmn s ALA 47 N 0.16 3.70 0.07 5.97 0.00 -1.26 -1.39 121.76 129.02 2kmn s ALA 47 Ca -0.08 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 2kmn s ALA 47 Cb -0.13 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 20.93 2kmn s ALA 47 CO 0.04 0.27 0.53 0.00 0.00 0.00 0.00 175.76 176.60 2kmn n ALA 48 N 3.16 -0.11 -0.24 0.00 0.00 0.22 0.10 120.51 123.64 2kmn n ALA 48 Ca -0.17 0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.75 2kmn n ALA 48 Cb 0.53 -0.11 0.45 0.00 0.00 0.00 0.00 19.45 20.32 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 0.77 -0.61 0.00 1.35 -1.74 0.96 112.91 113.64 2kmn h THR 49 Ca 0.09 -0.18 -0.06 0.00 -0.55 0.00 0.00 66.41 65.71 2kmn h THR 49 Cb 0.18 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 2kmn h THR 49 CO -0.33 0.10 0.15 1.56 -0.25 0.00 0.00 175.52 176.75 2kmn h GLN 50 N 0.53 0.97 -0.78 4.72 4.20 0.39 -2.23 115.11 122.90 2kmn h GLN 50 Ca 0.44 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2kmn h GLN 50 Cb 0.91 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2kmn h GLN 50 CO -0.18 0.89 0.00 1.33 -0.67 0.00 0.00 178.83 180.19 2kmn n VAL 51 N -4.35 0.73 -1.84 -0.54 0.24 0.16 0.16 118.33 112.89 2kmn n VAL 51 Ca 0.03 -0.39 -0.02 0.00 -2.04 0.00 0.00 64.34 61.93 2kmn n VAL 51 Cb 0.24 -0.35 -0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 0.17 -1.74 -4.00 -1.34 -0.08 -0.84 -4.45 116.55 104.28 2kmn n ASP 52 Ca 0.08 0.01 -0.31 0.00 -1.51 0.00 0.00 54.79 53.06 2kmn n ASP 52 Cb 0.48 -0.85 -0.15 0.00 2.34 0.00 0.00 41.12 42.94 2kmn n ASP 52 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kmn s ILE 53 N -2.08 1.82 -0.24 5.18 -4.36 -0.20 -4.97 121.20 116.36 2kmn s ILE 53 Ca 0.00 -1.39 -0.06 0.00 -0.26 0.00 0.00 60.65 58.94 2kmn s ILE 53 Cb 0.00 -2.00 -0.20 0.00 1.25 0.00 0.00 42.46 41.50 2kmn s ILE 53 CO 0.00 -0.05 3.05 0.00 0.24 0.00 0.00 174.94 178.18 2kmn n HIS 54 N 4.57 0.35 -3.77 1.37 1.44 -1.26 -2.63 115.22 115.30 2kmn n HIS 54 Ca -0.13 -1.51 -0.15 0.00 -2.01 0.00 0.00 57.72 53.92 2kmn n HIS 54 Cb 0.43 -1.55 -0.16 0.00 0.12 0.00 0.00 29.99 28.84 2kmn n HIS 54 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmn s GLN 55 N 1.55 -0.02 0.00 -1.40 -0.21 -1.26 -3.69 119.66 114.63 2kmn s GLN 55 Ca 0.57 0.22 -0.26 0.00 0.02 0.00 0.00 55.36 55.91 2kmn s GLN 55 Cb 0.25 -0.24 -0.31 0.00 1.00 0.00 0.00 33.01 33.70 2kmn s GLN 55 CO -0.01 -0.17 1.48 0.54 -2.12 0.00 0.00 175.29 175.01 2kmn n ARG 56 N 4.20 0.00 -4.08 2.91 1.74 -0.40 -4.55 116.66 116.49 2kmn n ARG 56 Ca -0.28 -0.91 -0.35 0.00 -0.77 0.00 0.00 57.85 55.55 2kmn n ARG 56 Cb 0.50 -2.40 -0.14 0.00 -1.02 0.00 0.00 32.46 29.40 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 6.63 3.36 0.02 0.55 -1.09 -1.26 0.21 121.20 129.62 2kmn s ILE 57 Ca 0.57 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 2kmn s ILE 57 Cb 0.12 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 2kmn s ILE 57 CO 0.29 0.45 -0.16 0.27 -1.23 0.00 0.00 174.94 174.55 2kmn s ILE 58 N 1.22 1.31 -0.04 2.92 -5.25 -0.32 0.71 121.20 121.74 2kmn s ILE 58 Ca 0.03 -0.94 0.03 0.00 -0.99 0.00 0.00 60.65 58.78 2kmn s ILE 58 Cb -0.14 -1.14 0.00 0.00 2.95 0.00 0.00 42.46 44.13 2kmn s ILE 58 CO -0.02 0.18 -0.14 0.54 -1.79 0.00 0.00 174.94 173.71 2kmn s VAL 59 N -0.66 1.22 0.14 8.37 0.11 -0.48 -0.27 120.40 128.83 2kmn s VAL 59 Ca 0.05 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.60 2kmn s VAL 59 Cb -0.07 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2kmn s VAL 59 CO 0.01 0.36 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.38 2kmn s ILE 60 N 0.22 3.08 -0.09 7.04 1.01 0.34 -0.25 121.20 132.55 2kmn s ILE 60 Ca -0.06 -1.54 0.15 0.00 0.00 0.00 0.00 60.65 59.20 2kmn s ILE 60 Cb -0.12 -2.47 0.31 0.00 0.01 0.00 0.00 42.46 40.19 2kmn s ILE 60 CO 0.02 0.01 1.15 -0.67 0.00 0.00 0.00 174.94 175.45 2kmn n ASP 61 N 0.45 1.30 -2.89 3.58 -0.08 0.47 0.49 116.55 119.86 2kmn n ASP 61 Ca -0.13 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 2kmn n ASP 61 Cb 0.54 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.62 2kmn n ASP 61 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2kmn n VAL 62 N -0.51 0.00 -3.15 5.18 0.31 -1.10 -4.75 118.33 114.31 2kmn n VAL 62 Ca 0.11 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.99 2kmn n VAL 62 Cb 0.81 -1.95 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 2kmn n VAL 62 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2kmn s SER 63 N -1.03 6.92 0.11 4.52 0.01 -1.26 -3.93 113.70 119.04 2kmn s SER 63 Ca 0.00 -2.79 -0.20 0.00 1.31 0.00 0.00 55.95 54.27 2kmn s SER 63 Cb 0.00 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 2kmn s SER 63 CO 0.00 -0.67 1.71 -0.08 0.41 0.00 0.00 173.24 174.60 2kmn h GLU 64 N 7.68 0.29 0.00 12.44 4.81 -1.91 -3.48 114.58 134.40 2kmn h GLU 64 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2kmn h GLU 64 Cb 0.97 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2kmn h GLU 64 CO 1.00 0.27 0.00 -1.71 -0.73 0.00 0.00 179.01 177.84 2kmn n ASN 65 N -4.89 0.00 -0.06 1.04 5.15 -1.26 -5.01 115.26 110.24 2kmn n ASN 65 Ca -0.03 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.82 2kmn n ASN 65 Cb 0.07 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.26 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 0.35 -5.02 1.20 3.08 -2.00 -3.41 114.38 108.58 2kmn h ARG 66 Ca 0.00 -0.17 -0.64 0.00 0.07 0.00 0.00 59.98 59.24 2kmn h ARG 66 Cb 0.00 -0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.86 2kmn h ARG 66 CO 0.00 0.70 -0.57 -0.51 -1.07 0.00 0.00 179.97 178.53 2kmn s ASP 67 N -6.07 5.60 -1.17 7.04 1.01 -1.26 -5.03 116.67 116.79 2kmn s ASP 67 Ca -0.14 -0.05 -0.21 0.00 0.71 0.00 0.00 52.55 52.86 2kmn s ASP 67 Cb 0.05 -2.01 0.04 0.00 1.01 0.00 0.00 42.92 42.01 2kmn s ASP 67 CO 0.75 0.02 1.69 -1.61 0.21 0.00 0.00 175.17 176.22 2kmn s GLU 68 N 1.33 3.60 -0.29 8.23 2.02 -1.26 -4.12 118.70 128.22 2kmn s GLU 68 Ca 0.06 -1.52 0.03 0.00 0.02 0.00 0.00 54.97 53.55 2kmn s GLU 68 Cb -0.15 -5.42 0.17 0.00 0.10 0.00 0.00 34.13 28.83 2kmn s GLU 68 CO 0.05 -2.52 0.45 0.50 0.02 0.00 0.00 175.26 173.77 2kmn s ARG 69 N 4.90 0.44 -0.07 1.61 3.52 -1.25 -4.69 118.95 123.41 2kmn s ARG 69 Ca 0.54 0.24 0.02 0.00 -0.13 0.00 0.00 55.73 56.40 2kmn s ARG 69 Cb 0.02 -0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.20 2kmn s ARG 69 CO 0.02 -1.02 -0.10 -0.51 -0.81 0.00 0.00 175.30 172.88 2kmn s LEU 70 N 2.61 2.97 -0.04 -0.88 1.43 0.18 -4.90 118.68 120.04 2kmn s LEU 70 Ca 0.10 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2kmn s LEU 70 Cb -0.12 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2kmn s LEU 70 CO -0.29 0.33 -0.05 0.54 0.23 0.00 0.00 176.35 177.11 2kmn s VAL 71 N -0.65 0.58 -0.02 -1.59 0.11 -1.26 0.13 120.40 117.70 2kmn s VAL 71 Ca 0.10 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 2kmn s VAL 71 Cb -0.11 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2kmn s VAL 71 CO 0.01 0.22 0.08 -0.76 -3.33 0.00 0.00 175.10 171.32 2kmn s LEU 72 N 0.73 1.74 -0.06 2.54 1.43 0.63 -4.31 118.68 121.38 2kmn s LEU 72 Ca -0.10 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2kmn s LEU 72 Cb -0.13 0.33 -0.01 0.00 0.03 0.00 0.00 46.19 46.41 2kmn s LEU 72 CO 0.00 -0.13 -0.24 -0.63 0.23 0.00 0.00 176.35 175.59 2kmn s ILE 73 N -0.42 1.98 -1.37 -0.59 1.09 0.43 -1.18 121.20 121.13 2kmn s ILE 73 Ca -0.05 -1.02 -0.07 0.00 -1.10 0.00 0.00 60.65 58.42 2kmn s ILE 73 Cb -0.03 -1.69 0.04 0.00 -1.06 0.00 0.00 42.46 39.72 2kmn s ILE 73 CO 0.00 0.55 0.48 0.59 -0.10 0.00 0.00 174.94 176.46 2kmn n ASN 74 N 3.07 -4.68 -4.64 3.58 5.03 0.13 -1.84 115.26 115.92 2kmn n ASN 74 Ca -0.18 -0.29 -0.39 0.00 0.87 0.00 0.00 54.58 54.59 2kmn n ASN 74 Cb 0.52 -3.83 0.04 0.00 -1.02 0.00 0.00 39.78 35.48 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 -3.75 1.24 -4.07 3.52 -0.02 -1.25 -4.75 135.00 125.92 2kmn n PRO 75 Ca -0.07 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2kmn n PRO 75 Cb 0.58 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 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 -2.49 0.52 0.20 -0.52 -1.05 0.21 -4.94 118.70 110.63 2kmn s GLU 76 Ca 0.70 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 2kmn s GLU 76 Cb -0.46 -0.30 -0.08 0.00 -0.44 0.00 0.00 34.13 32.84 2kmn s GLU 76 CO 0.51 0.06 0.96 -1.17 0.95 0.00 0.00 175.26 176.57 2kmn s LEU 77 N -1.47 4.60 -0.08 1.83 2.96 -1.26 -0.95 118.68 124.31 2kmn s LEU 77 Ca -0.09 1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 55.72 2kmn s LEU 77 Cb -0.09 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2kmn s LEU 77 CO 0.00 0.07 -0.09 0.18 -1.32 0.00 0.00 176.35 175.20 2kmn n LEU 78 N 1.88 1.69 -3.59 -0.68 7.99 0.54 -4.91 117.00 119.93 2kmn n LEU 78 Ca -0.01 0.03 -0.16 0.00 -0.01 0.00 0.00 56.01 55.87 2kmn n LEU 78 Cb 0.48 -0.25 -0.07 0.00 -0.11 0.00 0.00 43.42 43.47 2kmn n LEU 78 CO 0.51 0.38 0.36 -0.70 -1.51 0.00 0.00 177.39 176.42 2kmn s GLU 79 N -2.15 0.91 -0.01 3.23 2.12 -0.86 -4.93 118.70 117.02 2kmn s GLU 79 Ca -0.11 0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.58 2kmn s GLU 79 Cb 0.04 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2kmn s GLU 79 CO 0.16 -0.24 0.11 -1.59 -0.54 0.00 0.00 175.26 173.16 2kmn s LYS 80 N -0.72 0.35 -0.03 4.30 -2.85 -1.26 0.41 119.74 119.95 2kmn s LYS 80 Ca -0.08 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.34 2kmn s LYS 80 Cb -0.02 0.15 0.07 0.00 -2.06 0.00 0.00 37.83 35.96 2kmn s LYS 80 CO 0.06 -0.07 0.66 -1.54 0.10 0.00 0.00 175.35 174.56 2kmn s SER 81 N -0.95 -0.64 0.01 0.03 1.04 0.11 -4.97 113.70 108.33 2kmn s SER 81 Ca -0.10 0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2kmn s SER 81 Cb -0.06 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2kmn s SER 81 CO 0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2kmn n GLY 82 N 0.79 -2.65 2.77 7.32 0.00 -1.26 0.12 105.19 112.28 2kmn n GLY 82 Ca -0.19 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 2kmn n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kmn s GLU 83 N -3.11 0.75 0.28 1.61 2.12 -1.26 -0.55 118.70 118.55 2kmn s GLU 83 Ca 0.00 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.11 2kmn s GLU 83 Cb 0.00 -1.80 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 2kmn s GLU 83 CO 0.00 -0.52 0.20 0.95 -0.54 0.00 0.00 175.26 175.34 2kmn s THR 84 N 1.86 4.04 -0.17 -1.70 -4.23 0.19 -4.85 115.64 110.78 2kmn s THR 84 Ca 0.01 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2kmn s THR 84 Cb -0.16 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.50 2kmn s THR 84 CO -0.07 -0.30 0.27 -0.83 -0.54 0.00 0.00 174.62 173.14 2kmn s GLY 85 N -3.86 -0.12 -0.11 3.99 0.00 -1.26 -0.89 107.32 105.07 2kmn s GLY 85 Ca 0.35 0.74 -0.10 0.00 0.00 0.00 0.00 44.72 45.71 2kmn s GLY 85 CO 0.25 2.11 0.29 -0.42 0.00 0.00 0.00 173.10 175.32 2kmn s ILE 86 N 2.41 -0.00 0.27 0.90 1.01 -1.20 -4.88 121.20 119.70 2kmn s ILE 86 Ca 0.04 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 2kmn s ILE 86 Cb -0.14 -0.41 -0.09 0.00 0.01 0.00 0.00 42.46 41.83 2kmn s ILE 86 CO -0.10 0.00 1.19 -1.61 0.00 0.00 0.00 174.94 174.42 2kmn s GLU 87 N 0.26 4.52 0.17 2.79 2.02 -1.26 -2.24 118.70 124.96 2kmn s GLU 87 Ca -0.01 1.95 -0.20 0.00 0.02 0.00 0.00 54.97 56.73 2kmn s GLU 87 Cb -0.03 -3.17 0.05 0.00 0.10 0.00 0.00 34.13 31.08 2kmn s GLU 87 CO -0.01 0.01 0.55 -1.21 0.02 0.00 0.00 175.26 174.62 2kmn s GLU 88 N -1.19 1.31 0.28 1.61 2.02 -0.30 -4.81 118.70 117.62 2kmn s GLU 88 Ca 0.48 -0.68 0.10 0.00 0.02 0.00 0.00 54.97 54.89 2kmn s GLU 88 Cb -0.35 0.55 -0.05 0.00 0.10 0.00 0.00 34.13 34.38 2kmn s GLU 88 CO 0.43 -0.56 -0.15 0.20 0.02 0.00 0.00 175.26 175.20 2kmn s GLY 89 N -2.81 1.85 -0.04 -1.39 0.00 -1.26 -0.17 107.32 103.49 2kmn s GLY 89 Ca 0.05 -1.88 0.04 0.00 0.00 0.00 0.00 44.72 42.93 2kmn s GLY 89 CO -0.08 -1.92 -0.15 0.00 0.00 0.00 0.00 173.10 170.94 2kmn h LEU 91 N 5.28 0.00 0.10 0.00 -0.00 -1.93 0.82 115.31 119.58 2kmn h LEU 91 Ca -0.46 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.13 2kmn h LEU 91 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 2kmn h LEU 91 CO 0.50 0.00 -1.43 0.28 -0.00 0.00 0.00 178.44 177.79 2kmn h SER 92 N 0.00 0.34 -3.73 -0.43 0.02 -1.92 -3.45 113.55 104.38 2kmn h SER 92 Ca 0.16 -0.44 -0.49 0.00 -0.84 0.00 0.00 61.79 60.17 2kmn h SER 92 Cb 1.49 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 2kmn h SER 92 CO -0.00 1.36 0.11 -0.63 -1.14 0.00 0.00 176.83 176.54 2kmn s ILE 93 N -2.63 4.65 -0.03 3.27 -1.09 0.28 -1.25 121.20 124.40 2kmn s ILE 93 Ca -0.07 1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 59.33 2kmn s ILE 93 Cb 0.07 -3.64 -0.17 0.00 -1.58 0.00 0.00 42.46 37.14 2kmn s ILE 93 CO 0.86 -0.15 2.54 -0.81 -1.23 0.00 0.00 174.94 176.15 2kmn n PRO 94 N -0.27 1.35 -1.06 2.79 -0.04 -1.26 -4.43 135.00 132.08 2kmn n PRO 94 Ca 0.03 -0.69 -0.02 0.00 -0.04 0.00 0.00 63.50 62.78 2kmn n PRO 94 Cb 0.53 -1.85 -0.01 0.00 -0.04 0.00 0.00 33.50 32.13 2kmn n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kmn n GLU 95 N 2.72 -0.39 -2.50 0.54 2.13 -1.26 -4.95 120.64 116.92 2kmn n GLU 95 Ca 0.29 0.35 -0.40 0.00 0.66 0.00 0.00 57.16 58.07 2kmn n GLU 95 Cb 0.59 -3.84 -0.03 0.00 0.27 0.00 0.00 31.44 28.43 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2kmn s GLN 96 N -1.30 3.51 -0.00 5.31 -1.52 -1.26 -4.84 119.66 119.56 2kmn s GLN 96 Ca 0.00 -1.12 -0.24 0.00 -1.95 0.00 0.00 55.36 52.04 2kmn s GLN 96 Cb 0.00 -5.35 -0.05 0.00 -0.22 0.00 0.00 33.01 27.40 2kmn s GLN 96 CO 0.00 -2.35 0.75 1.03 -0.25 0.00 0.00 175.29 174.46 2kmn s ARG 97 N 5.13 4.47 0.08 2.91 0.52 -1.25 -4.56 118.95 126.25 2kmn s ARG 97 Ca 0.49 1.00 0.02 0.00 -0.52 0.00 0.00 55.73 56.73 2kmn s ARG 97 Cb -0.00 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 2kmn s ARG 97 CO -0.07 0.19 -0.08 0.00 0.02 0.00 0.00 175.30 175.36 2kmn s ALA 98 N 0.32 0.89 -0.30 2.13 0.00 0.76 -4.61 121.76 120.95 2kmn s ALA 98 Ca 0.39 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 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 1.28 -1.17 0.00 0.00 0.00 175.76 175.96 2kmn s LEU 99 N -2.46 3.89 -0.15 0.00 0.20 -1.26 -1.14 118.68 117.76 2kmn s LEU 99 Ca 0.04 1.20 -0.04 0.00 0.69 0.00 0.00 54.13 56.02 2kmn s LEU 99 Cb -0.01 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.17 2kmn s LEU 99 CO -0.02 -1.05 0.00 -0.69 -0.29 0.00 0.00 176.35 174.30 2kmn s VAL 100 N 4.28 4.25 -0.08 1.68 1.01 -0.95 -4.77 120.40 125.82 2kmn s VAL 100 Ca 0.55 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 2kmn s VAL 100 Cb -0.16 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2kmn s VAL 100 CO 0.22 0.51 0.87 -2.16 0.00 0.00 0.00 175.10 174.54 2kmn s PRO 101 N 0.11 4.43 0.18 2.72 0.04 -1.25 -3.24 135.00 137.99 2kmn s PRO 101 Ca 0.01 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 2kmn s PRO 101 Cb -0.13 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2kmn s PRO 101 CO 0.02 -0.14 0.23 -0.98 0.04 0.00 0.00 177.00 176.16 2kmn s ARG 102 N 1.44 1.18 0.68 4.56 3.03 -0.07 -4.97 118.95 124.81 2kmn s ARG 102 Ca 0.44 -1.36 -0.14 0.00 2.03 0.00 0.00 55.73 56.69 2kmn s ARG 102 Cb -0.18 0.34 0.01 0.00 -1.03 0.00 0.00 34.95 34.08 2kmn s ARG 102 CO 0.19 -0.42 1.12 0.00 -1.13 0.00 0.00 175.30 175.07 2kmn s ALA 103 N -4.04 2.39 0.08 7.88 0.00 -1.25 0.53 121.76 127.35 2kmn s ALA 103 Ca 0.25 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 2kmn s ALA 103 Cb 0.04 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.67 2kmn s ALA 103 CO 0.05 -1.41 1.28 1.49 0.00 0.00 0.00 175.76 177.17 2kmn h GLU 104 N -0.15 0.71 -3.79 0.00 4.81 0.34 -3.41 114.58 113.09 2kmn h GLU 104 Ca -0.46 -0.58 -0.24 0.00 -0.13 0.00 0.00 59.36 57.95 2kmn h GLU 104 Cb 1.25 0.12 -0.28 0.00 0.63 0.00 0.00 28.75 30.47 2kmn h GLU 104 CO 0.53 1.19 -0.72 0.15 -0.73 0.00 0.00 179.01 179.43 2kmn s LYS 105 N -3.74 0.04 -0.09 1.92 1.02 0.42 -1.25 119.74 118.06 2kmn s LYS 105 Ca -0.11 -0.03 -0.08 0.00 0.02 0.00 0.00 55.97 55.76 2kmn s LYS 105 Cb 0.08 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2kmn s LYS 105 CO 0.88 0.01 0.24 0.14 -0.92 0.00 0.00 175.35 175.70 2kmn s VAL 106 N -0.04 -0.00 -0.19 3.17 -7.23 0.32 0.05 120.40 116.47 2kmn s VAL 106 Ca -0.00 0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 2kmn s VAL 106 Cb -0.00 -0.35 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 2kmn s VAL 106 CO -0.00 0.00 0.02 -0.54 -0.31 0.00 0.00 175.10 174.28 2kmn s LYS 107 N 0.19 3.76 0.03 4.82 -0.14 0.17 0.81 119.74 129.38 2kmn s LYS 107 Ca -0.01 -0.45 0.03 0.00 -1.36 0.00 0.00 55.97 54.18 2kmn s LYS 107 Cb -0.02 -3.12 -0.02 0.00 -1.68 0.00 0.00 37.83 32.98 2kmn s LYS 107 CO -0.00 0.13 -0.10 0.96 -0.76 0.00 0.00 175.35 175.58 2kmn s ILE 108 N 0.72 0.73 -0.11 2.17 -5.25 0.14 -0.34 121.20 119.26 2kmn s ILE 108 Ca 0.01 -0.91 -0.05 0.00 -0.99 0.00 0.00 60.65 58.72 2kmn s ILE 108 Cb -0.14 -0.71 -0.04 0.00 2.95 0.00 0.00 42.46 44.52 2kmn s ILE 108 CO 0.02 -0.16 0.07 -0.13 -1.79 0.00 0.00 174.94 172.95 2kmn s ARG 109 N -1.18 3.25 0.25 0.37 0.52 -0.12 0.24 118.95 122.28 2kmn s ARG 109 Ca -0.04 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.68 2kmn s ARG 109 Cb -0.08 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.42 2kmn s ARG 109 CO 0.01 0.71 0.75 0.00 0.02 0.00 0.00 175.30 176.79 2kmn s ALA 110 N -0.87 -1.31 0.15 2.13 0.00 0.91 0.68 121.76 123.45 2kmn s ALA 110 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 51.99 2kmn s ALA 110 Cb -0.12 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2kmn s ALA 110 CO 0.03 -1.02 -0.17 -0.48 0.00 0.00 0.00 175.76 174.11 2kmn s LEU 111 N -2.91 2.72 0.59 0.00 0.05 -0.77 0.17 118.68 118.53 2kmn s LEU 111 Ca 0.11 -0.62 -0.07 0.00 0.05 0.00 0.00 54.13 53.60 2kmn s LEU 111 Cb -0.05 -1.51 -0.00 0.00 -2.05 0.00 0.00 46.19 42.58 2kmn s LEU 111 CO 0.05 0.15 0.91 -0.62 -0.55 0.00 0.00 176.35 176.30 2kmn s ASP 112 N -2.40 5.73 0.66 1.48 2.15 -0.97 0.16 116.67 123.48 2kmn s ASP 112 Ca 0.20 0.85 0.27 0.00 0.43 0.00 0.00 52.55 54.30 2kmn s ASP 112 Cb -0.10 -1.88 1.46 0.00 -0.30 0.00 0.00 42.92 42.11 2kmn s ASP 112 CO 0.11 -1.00 1.82 -0.09 -0.17 0.00 0.00 175.17 175.84 2kmn h ARG 113 N -0.18 0.00 0.00 4.34 2.43 -1.93 0.49 114.38 119.53 2kmn h ARG 113 Ca -0.45 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 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 0.61 0.00 -0.62 -0.44 -1.51 0.00 0.00 179.97 178.01 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.96 -3.46 116.42 110.53 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 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2kmn n GLY 115 N 1.18 1.40 2.83 2.75 0.00 0.17 -5.09 105.19 108.44 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 -0.26 1.04 -0.22 1.61 -0.14 -1.25 -4.91 119.74 115.61 2kmn s LYS 116 Ca 0.00 -1.18 -0.29 0.00 -1.36 0.00 0.00 55.97 53.14 2kmn s LYS 116 Cb 0.00 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 2kmn s LYS 116 CO 0.00 -0.88 1.45 -2.14 -0.76 0.00 0.00 175.35 173.02 2kmn s PRO 117 N 1.44 3.95 0.27 -1.68 0.02 -1.26 -2.30 135.00 135.43 2kmn s PRO 117 Ca 0.06 1.56 0.06 0.00 0.02 0.00 0.00 61.00 62.70 2kmn s PRO 117 Cb -0.18 -3.93 -0.06 0.00 0.02 0.00 0.00 34.50 30.36 2kmn s PRO 117 CO -0.17 -1.09 -0.04 -0.59 -0.33 0.00 0.00 177.00 174.78 2kmn s PHE 118 N 4.51 1.86 -0.16 6.54 -0.12 0.45 -4.88 117.98 126.19 2kmn s PHE 118 Ca 0.63 -0.76 -0.05 0.00 -0.05 0.00 0.00 56.93 56.71 2kmn s PHE 118 Cb -0.22 -1.08 -0.03 0.00 -0.63 0.00 0.00 43.02 41.06 2kmn s PHE 118 CO 0.24 0.20 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.40 2kmn s GLU 119 N -3.76 3.72 -0.08 1.99 8.01 -1.26 -0.06 118.70 127.25 2kmn s GLU 119 Ca 0.29 -0.46 0.03 0.00 0.01 0.00 0.00 54.97 54.85 2kmn s GLU 119 Cb 0.04 -2.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.88 2kmn s GLU 119 CO 0.11 0.29 -0.18 -0.48 0.01 0.00 0.00 175.26 175.01 2kmn s LEU 120 N 0.27 1.88 -0.20 1.80 0.05 0.14 -4.96 118.68 117.65 2kmn s LEU 120 Ca -0.01 -0.42 -0.19 0.00 0.05 0.00 0.00 54.13 53.57 2kmn s LEU 120 Cb -0.13 -1.10 -0.03 0.00 -2.05 0.00 0.00 46.19 42.88 2kmn s LEU 120 CO 0.02 0.11 0.53 -1.83 -0.55 0.00 0.00 176.35 174.63 2kmn s GLU 121 N 0.42 4.18 -0.07 1.48 -1.05 -1.26 0.26 118.70 122.65 2kmn s GLU 121 Ca -0.14 0.43 0.04 0.00 -0.15 0.00 0.00 54.97 55.14 2kmn s GLU 121 Cb -0.16 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 29.94 2kmn s GLU 121 CO 0.06 -0.17 -0.18 0.00 0.95 0.00 0.00 175.26 175.91 2kmn s ALA 122 N 1.71 2.47 0.22 -0.84 0.00 0.24 -4.94 121.76 120.63 2kmn s ALA 122 Ca 0.24 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.29 2kmn s ALA 122 Cb -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 2kmn s ALA 122 CO 0.10 0.42 -0.11 -0.51 0.00 0.00 0.00 175.76 175.66 2kmn s ASP 123 N -0.24 2.50 0.71 0.00 1.01 -1.26 0.12 116.67 119.50 2kmn s ASP 123 Ca 0.00 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.19 2kmn s ASP 123 Cb -0.13 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2kmn s ASP 123 CO 0.03 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.78 2kmn n GLY 124 N -0.41 2.46 0.39 0.21 0.00 -0.38 -1.57 105.19 105.89 2kmn n GLY 124 Ca -0.07 -0.27 0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 0.21 0.12 0.99 3.38 -1.98 0.36 115.31 118.38 2kmn h LEU 125 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kmn h LEU 125 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kmn h LEU 125 CO 0.00 0.10 -0.06 0.25 0.09 0.00 0.00 178.44 178.83 2kmn h LEU 126 N 0.22 -0.13 -0.92 1.67 7.12 -1.66 -2.19 115.31 119.42 2kmn h LEU 126 Ca 0.33 -0.41 0.01 0.00 0.13 0.00 0.00 57.88 57.95 2kmn h LEU 126 Cb 1.00 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 41.12 2kmn h LEU 126 CO -0.07 0.39 0.61 0.00 -0.13 0.00 0.00 178.44 179.24 2kmn h ALA 127 N 0.03 1.17 0.31 1.25 0.00 -0.55 -0.96 119.26 120.51 2kmn h ALA 127 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kmn h ALA 127 Cb 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kmn h ALA 127 CO 0.03 0.55 -0.15 0.82 0.00 0.00 0.00 179.25 180.50 2kmn h ILE 128 N 1.24 0.71 -0.06 0.00 1.08 -0.37 -1.33 117.51 118.78 2kmn h ILE 128 Ca 0.34 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2kmn h ILE 128 Cb -0.13 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2kmn h ILE 128 CO -0.08 0.10 0.04 0.00 -0.69 0.00 0.00 178.15 177.52 2kmn h ILE 130 N 0.06 1.09 -0.48 0.00 -0.00 -1.24 0.15 117.51 117.09 2kmn h ILE 130 Ca 0.02 -0.24 -0.12 0.00 -0.00 0.00 0.00 64.86 64.52 2kmn h ILE 130 Cb 0.01 0.34 -0.02 0.00 -0.00 0.00 0.00 36.82 37.16 2kmn h ILE 130 CO -0.00 0.13 -0.18 0.06 -0.00 0.00 0.00 178.15 178.15 2kmn h GLN 131 N 0.69 0.94 -0.40 2.19 3.07 -1.01 -2.28 115.11 118.31 2kmn h GLN 131 Ca 0.21 -0.38 0.01 0.00 0.09 0.00 0.00 58.65 58.58 2kmn h GLN 131 Cb -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.47 2kmn h GLN 131 CO -0.08 1.04 0.26 1.25 0.09 0.00 0.00 178.83 181.40 2kmn h HIS 132 N 0.82 0.50 -0.92 0.06 2.76 0.47 -2.20 115.15 116.65 2kmn h HIS 132 Ca 0.12 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.74 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 2kmn h HIS 132 CO 0.05 0.31 0.59 0.93 -1.30 0.00 0.00 177.93 178.50 2kmn h GLU 133 N 0.54 1.22 -0.28 5.26 4.39 -0.56 0.23 114.58 125.38 2kmn h GLU 133 Ca 0.15 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.79 2kmn h GLU 133 Cb -0.05 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 2kmn h GLU 133 CO -0.04 0.82 0.10 0.52 -1.16 0.00 0.00 179.01 179.26 2kmn h MET 134 N 1.25 0.23 -0.27 2.33 2.86 -0.92 0.35 114.93 120.75 2kmn h MET 134 Ca 0.33 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2kmn h MET 134 Cb -0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2kmn h MET 134 CO -0.07 0.15 0.12 -0.44 1.06 0.00 0.00 176.91 177.73 2kmn h ASP 135 N 0.24 0.36 0.25 1.22 3.32 -0.89 -2.23 116.42 118.69 2kmn h ASP 135 Ca 0.12 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2kmn h ASP 135 Cb 0.09 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2kmn h ASP 135 CO -0.12 0.41 -0.14 -0.74 -1.72 0.00 0.00 179.24 176.93 2kmn h HIS 136 N 0.30 -0.36 -0.12 4.55 2.76 0.02 0.34 115.15 122.65 2kmn h HIS 136 Ca 0.09 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2kmn h HIS 136 Cb 0.15 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2kmn h HIS 136 CO -0.01 -0.22 0.08 1.37 -1.30 0.00 0.00 177.93 177.85 2kmn h LEU 137 N -0.36 0.04 -2.01 0.26 8.10 -0.30 0.44 115.31 121.48 2kmn h LEU 137 Ca -0.03 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2kmn h LEU 137 Cb 0.29 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.48 2kmn h LEU 137 CO 0.04 0.03 0.05 0.55 -4.11 0.00 0.00 178.44 175.00 2kmn n VAL 138 N -4.51 1.07 -3.62 0.15 3.14 -0.84 -1.14 118.33 112.58 2kmn n VAL 138 Ca -0.00 -0.47 -0.27 0.00 -2.96 0.00 0.00 64.34 60.64 2kmn n VAL 138 Cb 0.17 -0.54 0.04 0.00 -1.06 0.00 0.00 33.84 32.44 2kmn n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kmn n GLY 139 N 0.14 -0.52 2.66 7.55 0.00 0.15 -4.03 105.19 111.14 2kmn n GLY 139 Ca 0.11 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.33 0.32 0.02 1.61 -2.85 0.12 -4.34 119.74 108.29 2kmn s LYS 140 Ca 0.56 -0.28 0.04 0.00 -1.00 0.00 0.00 55.97 55.28 2kmn s LYS 140 Cb -0.27 -1.89 -0.02 0.00 -2.06 0.00 0.00 37.83 33.60 2kmn s LYS 140 CO 0.69 -0.70 -0.11 -0.51 0.10 0.00 0.00 175.35 174.82 2kmn s LEU 141 N 2.01 2.11 0.24 2.77 2.01 -1.26 -2.83 118.68 123.72 2kmn s LEU 141 Ca 0.02 -0.33 -0.07 0.00 0.01 0.00 0.00 54.13 53.75 2kmn s LEU 141 Cb -0.16 -0.49 0.22 0.00 0.01 0.00 0.00 46.19 45.77 2kmn s LEU 141 CO -0.12 0.04 1.90 -0.26 1.01 0.00 0.00 176.35 178.93 2kmn h PHE 142 N 5.34 1.18 0.00 0.29 -1.00 -1.97 -1.75 116.94 119.02 2kmn h PHE 142 Ca -0.34 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.45 2kmn h PHE 142 Cb 1.18 -0.40 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 2kmn h PHE 142 CO 0.49 0.76 -0.04 1.98 -1.61 0.00 0.00 178.31 179.89 2kmn h MET 143 N 1.26 0.00 -0.44 1.51 4.05 -1.96 -2.47 114.93 116.89 2kmn h MET 143 Ca 0.34 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.88 2kmn h MET 143 Cb -0.12 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2kmn h MET 143 CO -0.07 0.04 0.47 0.22 0.23 0.00 0.00 176.91 177.80 2kmn h ASP 144 N 0.00 0.00 -1.08 1.39 3.58 -1.73 -1.41 116.42 117.17 2kmn h ASP 144 Ca -0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 2kmn h ASP 144 Cb 0.08 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 40.72 2kmn h ASP 144 CO 0.00 0.00 -0.88 0.00 -2.88 0.00 0.00 179.24 175.49 2kmn n TYR 145 N -3.71 2.60 -3.48 0.28 9.36 -0.93 -5.06 117.16 116.22 2kmn n TYR 145 Ca 0.08 -2.69 -0.34 0.00 3.32 0.00 0.00 57.90 58.27 2kmn n TYR 145 Cb 0.66 -0.22 -0.05 0.00 -0.63 0.00 0.00 39.34 39.09 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 4.31 0.00 2.98 1.02 -0.53 -5.11 118.68 117.83 2kmn s LEU 146 Ca 0.43 0.89 0.00 0.00 0.02 0.00 0.00 54.13 55.48 2kmn s LEU 146 Cb 0.40 -3.22 0.00 0.00 0.02 0.00 0.00 46.19 43.40 2kmn s LEU 146 CO -0.07 0.10 0.00 -0.24 0.02 0.00 0.00 176.35 176.16