#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 4.46 0.71 2.46 -7.23 -1.26 -4.58 120.40 114.95 2kmn s VAL 2 Ca 0.00 1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 61.76 2kmn s VAL 2 Cb 0.00 -4.14 0.01 0.00 0.56 0.00 0.00 36.38 32.81 2kmn s VAL 2 CO 0.00 0.48 1.07 -0.22 -0.31 0.00 0.00 175.10 176.12 2kmn s LEU 3 N -0.84 2.96 -0.56 1.32 2.96 -1.25 -4.97 118.68 118.30 2kmn s LEU 3 Ca 0.37 1.37 -0.28 0.00 -0.22 0.00 0.00 54.13 55.36 2kmn s LEU 3 Cb -0.23 -4.20 0.02 0.00 0.50 0.00 0.00 46.19 42.29 2kmn s LEU 3 CO 0.26 -1.42 1.25 -1.58 -1.32 0.00 0.00 176.35 173.54 2kmn s GLN 4 N -5.19 3.49 -0.07 1.98 0.74 -1.26 -4.94 119.66 114.40 2kmn s GLN 4 Ca 0.58 0.37 -0.20 0.00 0.05 0.00 0.00 55.36 56.16 2kmn s GLN 4 Cb -0.13 -4.03 -0.04 0.00 1.10 0.00 0.00 33.01 29.91 2kmn s GLN 4 CO 0.54 -1.71 0.56 0.08 -0.55 0.00 0.00 175.29 174.20 2kmn s VAL 5 N 5.20 5.08 0.24 1.34 1.01 -1.26 -3.34 120.40 128.68 2kmn s VAL 5 Ca 0.47 1.14 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 2kmn s VAL 5 Cb -0.09 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 2kmn s VAL 5 CO 0.26 0.34 0.60 -0.76 0.00 0.00 0.00 175.10 175.54 2kmn s LEU 6 N 0.38 4.16 0.10 3.92 1.43 0.80 -4.91 118.68 124.58 2kmn s LEU 6 Ca 0.30 1.03 0.09 0.00 -1.03 0.00 0.00 54.13 54.51 2kmn s LEU 6 Cb -0.17 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 2kmn s LEU 6 CO 0.14 -0.08 -0.22 -1.00 0.23 0.00 0.00 176.35 175.42 2kmn s HIS 7 N -1.81 1.86 0.50 0.29 3.76 -1.26 -3.74 115.29 114.88 2kmn s HIS 7 Ca 0.48 -0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 54.75 2kmn s HIS 7 Cb -0.11 -1.02 -0.08 0.00 1.11 0.00 0.00 32.58 32.48 2kmn s HIS 7 CO 0.20 0.22 1.13 -0.89 -0.85 0.00 0.00 174.74 174.55 2kmn n ILE 8 N 1.09 3.08 -1.64 0.60 -0.00 -0.74 -0.91 119.36 120.85 2kmn n ILE 8 Ca -0.19 -0.50 -0.31 0.00 -0.00 0.00 0.00 62.75 61.75 2kmn n ILE 8 Cb 0.53 -1.36 -0.04 0.00 -0.00 0.00 0.00 39.64 38.78 2kmn n ILE 8 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2kmn n PRO 9 N -0.42 2.74 -1.67 0.38 -0.04 -1.26 -4.98 135.00 129.75 2kmn n PRO 9 Ca 0.10 -2.70 -0.45 0.00 -0.04 0.00 0.00 63.50 60.41 2kmn n PRO 9 Cb 0.43 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.71 3.12 -0.37 3.54 -0.08 -0.09 -4.88 116.55 118.50 2kmn n ASP 10 Ca 0.51 1.09 -0.01 0.00 -1.51 0.00 0.00 54.79 54.87 2kmn n ASP 10 Cb 0.46 -1.44 0.13 0.00 2.34 0.00 0.00 41.12 42.61 2kmn n ASP 10 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2kmn h GLU 11 N 5.68 1.26 -0.14 -0.67 4.11 -1.97 -2.30 114.58 120.55 2kmn h GLU 11 Ca -0.45 -0.08 0.04 0.00 0.07 0.00 0.00 59.36 58.95 2kmn h GLU 11 Cb 1.25 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kmn h GLU 11 CO 0.87 0.83 0.15 0.00 0.07 0.00 0.00 179.01 180.93 2kmn h ARG 12 N 1.30 0.00 0.01 1.06 2.47 -1.90 0.55 114.38 117.86 2kmn h ARG 12 Ca 0.39 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.90 2kmn h ARG 12 Cb -0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2kmn h ARG 12 CO -0.11 0.00 -0.90 -0.07 0.56 0.00 0.00 179.97 179.45 2kmn h LEU 13 N 0.00 0.30 -1.53 3.04 3.38 -1.58 -2.57 115.31 116.35 2kmn h LEU 13 Ca 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kmn h LEU 13 Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kmn h LEU 13 CO -0.00 1.05 0.00 0.54 0.09 0.00 0.00 178.44 180.12 2kmn n ARG 14 N -3.66 1.98 -3.27 1.13 5.12 0.20 -3.63 116.66 114.52 2kmn n ARG 14 Ca -0.04 -1.50 -0.33 0.00 -1.93 0.00 0.00 57.85 54.05 2kmn n ARG 14 Cb 0.82 -1.37 -0.06 0.00 -1.16 0.00 0.00 32.46 30.69 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 -1.53 3.96 -0.05 5.56 2.20 0.17 -4.29 119.74 125.76 2kmn s LYS 15 Ca 0.31 0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 56.17 2kmn s LYS 15 Cb 0.16 -2.65 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2kmn s LYS 15 CO 0.23 0.30 0.87 0.08 -0.36 0.00 0.00 175.35 176.47 2kmn s VAL 16 N -1.78 4.92 0.19 4.02 1.01 -1.26 -0.02 120.40 127.49 2kmn s VAL 16 Ca 0.47 1.81 -0.20 0.00 0.00 0.00 0.00 61.98 64.06 2kmn s VAL 16 Cb -0.12 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 2kmn s VAL 16 CO 0.19 0.16 0.70 0.00 0.00 0.00 0.00 175.10 176.15 2kmn s ALA 17 N 1.17 3.45 -0.17 5.51 0.00 0.25 -4.81 121.76 127.17 2kmn s ALA 17 Ca 0.45 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 2kmn s ALA 17 Cb -0.19 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2kmn s ALA 17 CO 0.22 0.34 0.01 0.21 0.00 0.00 0.00 175.76 176.54 2kmn s LYS 18 N -1.79 3.82 -0.29 0.00 2.36 -1.23 -4.37 119.74 118.22 2kmn s LYS 18 Ca 0.40 -0.43 -0.29 0.00 -2.55 0.00 0.00 55.97 53.10 2kmn s LYS 18 Cb -0.18 -3.06 0.01 0.00 -1.05 0.00 0.00 37.83 33.55 2kmn s LYS 18 CO 0.21 0.27 1.17 -1.25 1.55 0.00 0.00 175.35 177.30 2kmn s PRO 19 N 0.33 4.04 0.44 4.03 0.04 -1.26 -1.77 135.00 140.86 2kmn s PRO 19 Ca -0.00 1.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 2kmn s PRO 19 Cb -0.13 -3.78 -0.08 0.00 0.04 0.00 0.00 34.50 30.55 2kmn s PRO 19 CO 0.01 -0.94 1.24 0.08 0.04 0.00 0.00 177.00 177.43 2kmn s VAL 20 N 3.85 2.79 0.49 -0.36 1.01 -1.26 -4.92 120.40 122.00 2kmn s VAL 20 Ca 0.50 0.64 0.30 0.00 0.00 0.00 0.00 61.98 63.41 2kmn s VAL 20 Cb -0.15 -3.35 0.33 0.00 0.00 0.00 0.00 36.38 33.21 2kmn s VAL 20 CO 0.17 0.04 2.16 -0.33 0.00 0.00 0.00 175.10 177.14 2kmn h GLU 21 N 2.27 0.00 -1.95 2.72 5.08 -2.03 -3.44 114.58 117.23 2kmn h GLU 21 Ca -0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 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 0.19 -2.00 -1.00 0.00 0.00 179.01 176.88 2kmn s GLU 22 N -4.33 0.87 -0.53 2.33 2.12 -1.26 -5.12 118.70 112.77 2kmn s GLU 22 Ca -0.04 0.70 -0.29 0.00 0.36 0.00 0.00 54.97 55.71 2kmn s GLU 22 Cb 0.14 0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.97 2kmn s GLU 22 CO 0.56 -0.17 1.20 0.08 -0.54 0.00 0.00 175.26 176.38 2kmn s VAL 23 N -0.18 4.06 0.25 3.70 1.01 -1.26 -5.00 120.40 122.98 2kmn s VAL 23 Ca -0.03 1.01 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2kmn s VAL 23 Cb -0.03 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 2kmn s VAL 23 CO 0.03 -1.19 0.40 0.20 0.00 0.00 0.00 175.10 174.55 2kmn s ASN 24 N 2.91 6.33 0.61 3.32 0.01 -1.26 -4.91 114.94 121.96 2kmn s ASN 24 Ca 0.46 0.23 0.31 0.00 -0.71 0.00 0.00 52.86 53.15 2kmn s ASN 24 Cb -0.08 -1.93 1.71 0.00 0.41 0.00 0.00 41.25 41.36 2kmn s ASN 24 CO 0.28 -0.11 2.06 0.00 -1.51 0.00 0.00 177.10 177.83 2kmn h ALA 25 N 1.31 1.67 -0.10 0.60 0.00 -1.98 0.91 119.26 121.67 2kmn h ALA 25 Ca -0.50 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 2kmn h ALA 25 Cb 1.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2kmn h ALA 25 CO 0.63 -0.33 -0.69 0.93 0.00 0.00 0.00 179.25 179.78 2kmn h GLU 26 N 0.00 0.64 -0.13 0.00 4.39 -2.00 -2.26 114.58 115.22 2kmn h GLU 26 Ca 0.08 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 2kmn h GLU 26 Cb 0.58 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2kmn h GLU 26 CO -0.00 1.17 0.04 0.82 -1.16 0.00 0.00 179.01 179.89 2kmn h ILE 27 N 0.29 1.18 -1.00 3.13 2.04 0.22 -2.31 117.51 121.05 2kmn h ILE 27 Ca -0.06 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.32 2kmn h ILE 27 Cb 1.34 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 2kmn h ILE 27 CO 0.14 0.16 0.65 1.56 0.00 0.00 0.00 178.15 180.66 2kmn h GLN 28 N 0.03 1.13 -0.88 2.37 4.20 -0.27 -0.37 115.11 121.33 2kmn h GLN 28 Ca 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2kmn h GLN 28 Cb 0.22 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2kmn h GLN 28 CO -0.00 0.75 0.47 0.00 -0.67 0.00 0.00 178.83 179.38 2kmn h ARG 29 N 1.17 1.24 -0.15 1.46 3.08 -1.21 -0.66 114.38 119.30 2kmn h ARG 29 Ca 0.44 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.36 2kmn h ARG 29 Cb 0.18 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2kmn h ARG 29 CO -0.18 0.91 -0.04 0.82 -1.07 0.00 0.00 179.97 180.42 2kmn h ILE 30 N 1.24 0.84 -0.36 2.04 2.04 -0.52 -1.71 117.51 121.09 2kmn h ILE 30 Ca 0.31 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.06 2kmn h ILE 30 Cb 0.05 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2kmn h ILE 30 CO -0.05 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.48 2kmn h VAL 31 N -0.00 1.28 -0.98 1.67 2.07 -1.10 -0.91 116.25 118.28 2kmn h VAL 31 Ca 0.07 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.36 2kmn h VAL 31 Cb 0.11 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 2kmn h VAL 31 CO -0.16 0.44 0.63 0.44 0.02 0.00 0.00 177.57 178.94 2kmn h ASP 32 N 0.57 0.93 0.77 0.57 5.19 -0.95 0.25 116.42 123.75 2kmn h ASP 32 Ca 0.08 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.34 2kmn h ASP 32 Cb 0.75 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 2kmn h ASP 32 CO 0.06 0.54 -0.82 0.44 -3.12 0.00 0.00 179.24 176.34 2kmn h ASP 33 N 1.02 0.04 -0.33 6.45 5.19 -1.22 -2.51 116.42 125.08 2kmn h ASP 33 Ca 0.46 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.83 2kmn h ASP 33 Cb 0.37 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2kmn h ASP 33 CO -0.21 0.84 0.20 0.24 -3.12 0.00 0.00 179.24 177.19 2kmn h MET 34 N 0.02 0.44 -0.16 3.56 2.86 0.91 0.98 114.93 123.54 2kmn h MET 34 Ca -0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2kmn h MET 34 Cb 1.44 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 2kmn h MET 34 CO 0.11 0.32 -0.11 0.27 1.06 0.00 0.00 176.91 178.56 2kmn h PHE 35 N 0.43 0.41 -0.99 -0.22 -5.15 -1.33 0.14 116.94 110.23 2kmn h PHE 35 Ca 0.12 -0.11 0.20 0.00 -0.20 0.00 0.00 57.97 57.98 2kmn h PHE 35 Cb -0.01 -0.09 -0.10 0.00 0.22 0.00 0.00 35.95 35.97 2kmn h PHE 35 CO -0.04 0.70 0.62 0.93 -2.00 0.00 0.00 178.31 178.51 2kmn h GLU 36 N 0.00 0.63 0.40 6.09 4.39 -1.09 0.31 114.58 125.31 2kmn h GLU 36 Ca 0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2kmn h GLU 36 Cb 0.61 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2kmn h GLU 36 CO 0.03 0.42 -0.19 1.15 -1.16 0.00 0.00 179.01 179.25 2kmn h THR 37 N 0.65 0.00 -0.86 1.13 2.02 0.13 -2.35 112.91 113.63 2kmn h THR 37 Ca 0.56 -0.38 0.22 0.00 0.77 0.00 0.00 66.41 67.58 2kmn h THR 37 Cb 1.03 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.31 2kmn h THR 37 CO -0.33 0.00 0.26 -0.03 0.37 0.00 0.00 175.52 175.79 2kmn h MET 38 N -0.91 0.25 -0.43 6.66 1.85 0.85 0.94 114.93 124.14 2kmn h MET 38 Ca -0.05 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 58.92 2kmn h MET 38 Cb 0.41 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 2kmn h MET 38 CO 0.09 0.17 -0.13 1.88 -0.40 0.00 0.00 176.91 178.52 2kmn h TYR 39 N 0.26 0.96 0.00 1.39 -1.99 -0.57 0.50 116.97 117.52 2kmn h TYR 39 Ca 0.53 -0.22 -0.00 0.00 2.00 0.00 0.00 58.73 61.05 2kmn h TYR 39 Cb 1.05 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 39.54 2kmn h TYR 39 CO -0.23 0.97 -0.01 0.00 -0.00 0.00 0.00 178.16 178.88 2kmn h ALA 40 N 0.85 1.65 0.00 3.88 0.00 0.12 1.07 119.26 126.83 2kmn h ALA 40 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kmn h ALA 40 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kmn h ALA 40 CO 0.05 0.02 -0.37 -1.91 0.00 0.00 0.00 179.25 177.04 2kmn n GLU 41 N -4.04 0.05 -2.04 0.00 4.07 0.14 -4.91 120.64 113.91 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 0.10 -1.54 -0.03 0.00 -0.06 0.00 0.00 31.44 29.91 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.62 -1.29 -2.81 5.31 -0.58 0.37 -4.98 120.64 115.04 2kmn n GLU 42 Ca 0.06 0.91 -0.37 0.00 -0.42 0.00 0.00 57.16 57.34 2kmn n GLU 42 Cb 0.36 -5.28 -0.06 0.00 -0.57 0.00 0.00 31.44 25.89 2kmn n GLU 42 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2kmn s GLY 43 N -2.44 2.77 0.00 0.62 0.00 0.15 -4.95 107.32 103.48 2kmn s GLY 43 Ca 0.00 0.49 0.30 0.00 0.00 0.00 0.00 44.72 45.50 2kmn s GLY 43 CO 0.00 0.92 2.06 1.39 0.00 0.00 0.00 173.10 177.47 2kmn n ILE 44 N 0.55 0.03 0.00 0.90 2.08 -1.26 -4.43 119.36 117.23 2kmn n ILE 44 Ca 0.02 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2kmn n ILE 44 Cb 0.50 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 38.87 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 1.11 1.29 3.17 7.39 0.00 -1.26 0.20 105.19 117.08 2kmn n GLY 45 Ca 0.17 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 1.96 -0.18 0.99 2.96 0.41 -4.92 118.68 119.90 2kmn s LEU 46 Ca 0.00 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2kmn s LEU 46 Cb 0.00 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2kmn s LEU 46 CO 0.00 0.18 0.06 0.00 -1.32 0.00 0.00 176.35 175.27 2kmn s ALA 47 N -0.01 3.42 0.08 5.97 0.00 -1.26 -1.29 121.76 128.66 2kmn s ALA 47 Ca -0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 2kmn s ALA 47 Cb -0.12 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.11 2kmn s ALA 47 CO 0.03 0.21 0.66 0.00 0.00 0.00 0.00 175.76 176.65 2kmn n ALA 48 N 3.43 -0.20 -0.20 0.00 0.00 0.21 0.78 120.51 124.53 2kmn n ALA 48 Ca -0.17 0.38 0.17 0.00 0.00 0.00 0.00 53.44 53.82 2kmn n ALA 48 Cb 0.52 -0.10 0.50 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 0.21 112.91 112.80 2kmn h THR 49 Ca 0.10 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.76 2kmn h THR 49 Cb 0.20 0.28 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 2kmn h THR 49 CO -0.41 0.08 0.21 1.56 -0.25 0.00 0.00 175.52 176.72 2kmn h GLN 50 N 0.43 1.01 -0.72 4.72 4.20 0.08 -2.25 115.11 122.57 2kmn h GLN 50 Ca 0.41 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2kmn h GLN 50 Cb 0.96 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2kmn h GLN 50 CO -0.15 0.86 0.00 1.33 -0.67 0.00 0.00 178.83 180.20 2kmn n VAL 51 N -4.27 1.68 -1.64 -0.54 0.24 0.61 -0.14 118.33 114.27 2kmn n VAL 51 Ca 0.05 -0.87 -0.02 0.00 -2.04 0.00 0.00 64.34 61.47 2kmn n VAL 51 Cb 0.21 -0.32 -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 0.42 -2.15 -4.05 -1.34 2.03 -0.85 -4.26 116.55 106.35 2kmn n ASP 52 Ca 0.17 0.02 -0.32 0.00 0.52 0.00 0.00 54.79 55.18 2kmn n ASP 52 Cb 0.83 -0.89 -0.15 0.00 -0.72 0.00 0.00 41.12 40.19 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 -2.08 2.15 -0.15 5.18 -4.36 -0.44 -4.98 121.20 116.51 2kmn s ILE 53 Ca 0.00 -1.72 -0.05 0.00 -0.26 0.00 0.00 60.65 58.62 2kmn s ILE 53 Cb 0.00 -2.31 -0.19 0.00 1.25 0.00 0.00 42.46 41.21 2kmn s ILE 53 CO 0.00 -0.12 2.86 0.00 0.24 0.00 0.00 174.94 177.93 2kmn n HIS 54 N 4.42 0.22 -3.87 1.37 1.44 -1.26 -2.80 115.22 114.74 2kmn n HIS 54 Ca -0.11 -1.32 -0.15 0.00 -2.01 0.00 0.00 57.72 54.13 2kmn n HIS 54 Cb 0.42 -1.41 -0.16 0.00 0.12 0.00 0.00 29.99 28.96 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 1.62 0.11 -0.38 -1.40 -0.21 -1.26 -3.58 119.66 114.56 2kmn s GLN 55 Ca 0.52 0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.70 2kmn s GLN 55 Cb 0.23 -0.29 -0.31 0.00 1.00 0.00 0.00 33.01 33.65 2kmn s GLN 55 CO -0.01 -0.11 1.76 0.54 -2.12 0.00 0.00 175.29 175.36 2kmn n ARG 56 N 3.88 0.28 -4.28 2.91 1.74 -0.73 -4.52 116.66 115.94 2kmn n ARG 56 Ca -0.24 -1.32 -0.34 0.00 -0.77 0.00 0.00 57.85 55.19 2kmn n ARG 56 Cb 0.53 -2.91 -0.15 0.00 -1.02 0.00 0.00 32.46 28.90 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 9.11 2.66 0.04 0.55 -1.09 -1.26 0.10 121.20 131.32 2kmn s ILE 57 Ca 0.70 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 2kmn s ILE 57 Cb 0.10 -2.14 -0.02 0.00 -1.58 0.00 0.00 42.46 38.81 2kmn s ILE 57 CO 0.28 0.50 -0.18 0.27 -1.23 0.00 0.00 174.94 174.58 2kmn s ILE 58 N 1.09 1.43 -0.04 2.92 -5.25 -0.21 0.65 121.20 121.79 2kmn s ILE 58 Ca 0.00 -1.12 0.03 0.00 -0.99 0.00 0.00 60.65 58.57 2kmn s ILE 58 Cb -0.14 -1.26 0.00 0.00 2.95 0.00 0.00 42.46 44.01 2kmn s ILE 58 CO -0.04 0.11 -0.13 0.68 -1.79 0.00 0.00 174.94 173.76 2kmn s VAL 59 N -0.83 1.15 0.05 8.37 -7.23 -0.41 -0.53 120.40 120.96 2kmn s VAL 59 Ca 0.05 -0.55 0.07 0.00 -1.81 0.00 0.00 61.98 59.74 2kmn s VAL 59 Cb -0.08 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 2kmn s VAL 59 CO 0.02 0.34 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.33 2kmn s ILE 60 N 0.16 2.73 -0.06 -0.62 1.01 0.28 -0.44 121.20 124.26 2kmn s ILE 60 Ca -0.05 -1.23 0.09 0.00 0.00 0.00 0.00 60.65 59.46 2kmn s ILE 60 Cb -0.11 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.35 2kmn s ILE 60 CO 0.02 0.32 1.03 -0.67 0.00 0.00 0.00 174.94 175.64 2kmn n ASP 61 N 1.51 1.70 -4.58 3.58 2.03 0.53 0.89 116.55 122.21 2kmn n ASP 61 Ca -0.16 -2.44 -0.42 0.00 0.52 0.00 0.00 54.79 52.29 2kmn n ASP 61 Cb 0.52 -0.24 -0.05 0.00 -0.72 0.00 0.00 41.12 40.63 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 -1.67 4.75 -0.26 5.18 1.01 -0.94 -4.58 120.40 123.89 2kmn s VAL 62 Ca 0.15 0.79 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 2kmn s VAL 62 Cb 0.13 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2kmn s VAL 62 CO 0.01 -0.44 1.29 -1.54 0.00 0.00 0.00 175.10 174.43 2kmn n SER 63 N 6.38 -1.52 0.00 3.32 3.41 -1.26 -4.38 113.62 119.58 2kmn n SER 63 Ca 0.02 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 2kmn n SER 63 Cb 0.48 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2kmn n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kmn n GLU 64 N 5.09 2.98 -0.09 4.33 -0.58 -1.26 -4.80 120.64 126.30 2kmn n GLU 64 Ca 0.14 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2kmn n GLU 64 Cb 0.45 -0.65 -0.10 0.00 -0.57 0.00 0.00 31.44 30.57 2kmn n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kmn n ASN 65 N -0.76 1.90 0.00 1.62 5.15 -1.26 -5.04 115.26 116.86 2kmn n ASN 65 Ca 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 2kmn n ASN 65 Cb 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 -2.82 0.00 -2.85 1.20 5.12 -1.26 -5.02 116.66 111.03 2kmn n ARG 66 Ca -0.30 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.42 2kmn n ARG 66 Cb 0.93 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 32.21 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2kmn n ASP 67 N 0.00 2.81 -1.90 0.55 9.92 -1.26 -4.91 116.55 121.76 2kmn n ASP 67 Ca 0.00 -3.28 -0.02 0.00 -0.53 0.00 0.00 54.79 50.96 2kmn n ASP 67 Cb 0.00 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 39.91 2kmn n ASP 67 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kmn n GLU 68 N -0.11 -1.96 0.00 -1.24 1.02 -1.26 -4.88 120.64 112.21 2kmn n GLU 68 Ca 0.26 1.76 0.00 0.00 -0.02 0.00 0.00 57.16 59.16 2kmn n GLU 68 Cb 0.62 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 2kmn n GLU 68 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2kmn n ARG 69 N 0.72 0.00 -4.00 3.49 0.63 -1.26 -4.94 116.66 111.30 2kmn n ARG 69 Ca -0.16 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.42 2kmn n ARG 69 Cb 0.24 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.07 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 4.00 -0.04 6.15 1.43 0.26 -4.89 118.68 125.59 2kmn s LEU 70 Ca 0.00 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2kmn s LEU 70 Cb 0.00 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2kmn s LEU 70 CO 0.00 0.29 -0.04 0.54 0.23 0.00 0.00 176.35 177.37 2kmn s VAL 71 N -0.33 0.50 -0.01 -1.59 0.11 -1.26 0.10 120.40 117.92 2kmn s VAL 71 Ca 0.10 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 2kmn s VAL 71 Cb -0.12 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2kmn s VAL 71 CO 0.01 0.21 0.04 -0.76 -3.33 0.00 0.00 175.10 171.28 2kmn s LEU 72 N 0.83 1.86 -0.06 2.54 1.43 0.31 -4.27 118.68 121.33 2kmn s LEU 72 Ca -0.11 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2kmn s LEU 72 Cb -0.14 0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.27 2kmn s LEU 72 CO 0.00 -0.08 -0.23 -0.63 0.23 0.00 0.00 176.35 175.63 2kmn s ILE 73 N -0.30 1.92 -1.46 -0.59 1.09 0.42 -1.05 121.20 121.24 2kmn s ILE 73 Ca -0.03 -0.99 -0.08 0.00 -1.10 0.00 0.00 60.65 58.44 2kmn s ILE 73 Cb -0.02 -1.63 0.03 0.00 -1.06 0.00 0.00 42.46 39.78 2kmn s ILE 73 CO -0.00 0.54 0.83 0.59 -0.10 0.00 0.00 174.94 176.80 2kmn n ASN 74 N 3.04 -5.60 -4.68 3.58 5.03 0.29 -1.63 115.26 115.28 2kmn n ASN 74 Ca -0.18 -0.47 -0.39 0.00 0.87 0.00 0.00 54.58 54.40 2kmn n ASN 74 Cb 0.52 -4.49 0.03 0.00 -1.02 0.00 0.00 39.78 34.82 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 -4.40 1.49 -4.08 3.52 -0.02 -1.25 -4.70 135.00 125.56 2kmn n PRO 75 Ca -0.03 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 2kmn n PRO 75 Cb 0.57 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.53 0.36 0.06 -0.52 -1.05 0.28 -4.94 118.70 110.36 2kmn s GLU 76 Ca 0.68 -0.27 -0.28 0.00 -0.15 0.00 0.00 54.97 54.95 2kmn s GLU 76 Cb -0.46 -0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 32.89 2kmn s GLU 76 CO 0.52 0.07 0.89 -1.17 0.95 0.00 0.00 175.26 176.53 2kmn s LEU 77 N -0.42 4.44 -0.14 1.83 0.20 -1.26 -0.06 118.68 123.27 2kmn s LEU 77 Ca -0.01 1.62 0.02 0.00 0.69 0.00 0.00 54.13 56.45 2kmn s LEU 77 Cb -0.03 -3.45 -0.10 0.00 -0.43 0.00 0.00 46.19 42.18 2kmn s LEU 77 CO -0.00 -0.09 -0.11 0.18 -0.29 0.00 0.00 176.35 176.04 2kmn n LEU 78 N 3.10 2.73 -3.59 -0.68 4.32 0.63 -4.92 117.00 118.60 2kmn n LEU 78 Ca 0.01 -0.07 -0.15 0.00 -0.02 0.00 0.00 56.01 55.78 2kmn n LEU 78 Cb 0.50 -0.44 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 2kmn n LEU 78 CO 0.50 0.71 0.29 -0.70 -1.22 0.00 0.00 177.39 176.96 2kmn s GLU 79 N -2.29 0.99 -0.01 3.23 2.12 -0.72 -4.93 118.70 117.09 2kmn s GLU 79 Ca -0.18 -0.10 -0.11 0.00 0.36 0.00 0.00 54.97 54.94 2kmn s GLU 79 Cb 0.05 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.91 2kmn s GLU 79 CO 0.35 -0.34 0.23 -1.59 -0.54 0.00 0.00 175.26 173.37 2kmn s LYS 80 N -1.96 0.58 0.01 4.30 0.00 -1.26 -0.83 119.74 120.58 2kmn s LYS 80 Ca -0.08 -0.28 -0.29 0.00 0.00 0.00 0.00 55.97 55.32 2kmn s LYS 80 Cb -0.01 0.25 0.07 0.00 0.00 0.00 0.00 37.83 38.14 2kmn s LYS 80 CO 0.02 -0.15 0.66 -1.54 0.00 0.00 0.00 175.35 174.34 2kmn s SER 81 N -1.33 -0.63 0.19 0.03 1.04 0.15 -4.95 113.70 108.20 2kmn s SER 81 Ca -0.14 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2kmn s SER 81 Cb -0.06 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2kmn s SER 81 CO 0.03 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2kmn n GLY 82 N 0.53 -3.34 3.27 7.32 0.00 -1.26 0.11 105.19 111.81 2kmn n GLY 82 Ca -0.18 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.75 2.79 0.28 1.61 -6.30 -1.26 0.06 118.70 111.13 2kmn s GLU 83 Ca 0.00 -1.04 0.10 0.00 -2.50 0.00 0.00 54.97 51.53 2kmn s GLU 83 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 34.13 30.79 2kmn s GLU 83 CO 0.00 -0.53 -0.04 0.95 0.02 0.00 0.00 175.26 175.66 2kmn s THR 84 N 1.40 3.11 -0.24 -1.70 -4.23 0.20 -4.83 115.64 109.35 2kmn s THR 84 Ca -0.00 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 2kmn s THR 84 Cb -0.18 -2.73 0.10 0.00 1.34 0.00 0.00 72.50 71.02 2kmn s THR 84 CO 0.01 -0.35 0.54 -0.83 -0.54 0.00 0.00 174.62 173.45 2kmn s GLY 85 N -3.65 -0.52 -0.10 3.99 0.00 -1.26 0.54 107.32 106.32 2kmn s GLY 85 Ca 0.32 1.93 -0.09 0.00 0.00 0.00 0.00 44.72 46.88 2kmn s GLY 85 CO 0.19 2.50 0.26 -0.42 0.00 0.00 0.00 173.10 175.64 2kmn s ILE 86 N 2.35 -0.00 0.20 0.90 1.01 -1.13 -4.86 121.20 119.66 2kmn s ILE 86 Ca -0.06 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 2kmn s ILE 86 Cb -0.10 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 41.91 2kmn s ILE 86 CO -0.16 0.00 1.25 -1.61 0.00 0.00 0.00 174.94 174.42 2kmn s GLU 87 N 0.23 4.45 0.21 2.79 2.02 -1.26 -2.16 118.70 124.99 2kmn s GLU 87 Ca -0.01 1.96 -0.16 0.00 0.02 0.00 0.00 54.97 56.79 2kmn s GLU 87 Cb -0.03 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 31.01 2kmn s GLU 87 CO -0.00 -0.15 0.51 -1.21 0.02 0.00 0.00 175.26 174.42 2kmn s GLU 88 N -0.29 1.44 0.31 1.61 2.02 -0.60 -4.83 118.70 118.36 2kmn s GLU 88 Ca 0.54 -1.01 0.10 0.00 0.02 0.00 0.00 54.97 54.62 2kmn s GLU 88 Cb -0.34 0.50 -0.06 0.00 0.10 0.00 0.00 34.13 34.33 2kmn s GLU 88 CO 0.38 -0.61 -0.13 0.20 0.02 0.00 0.00 175.26 175.13 2kmn s GLY 89 N -2.92 2.05 -0.09 -1.39 0.00 -1.26 -0.65 107.32 103.04 2kmn s GLY 89 Ca 0.14 -2.00 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 2kmn s GLY 89 CO 0.01 -1.99 -0.05 0.00 0.00 0.00 0.00 173.10 171.07 2kmn h LEU 91 N 5.60 0.70 -0.34 0.00 -0.00 -1.93 0.47 115.31 119.82 2kmn h LEU 91 Ca -0.44 0.08 -0.12 0.00 -0.00 0.00 0.00 57.88 57.40 2kmn h LEU 91 Cb 1.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 2kmn h LEU 91 CO 0.55 0.26 -0.57 0.28 -0.00 0.00 0.00 178.44 178.96 2kmn h SER 92 N 0.68 0.00 -3.74 -0.43 0.02 -1.84 -3.45 113.55 104.80 2kmn h SER 92 Ca 0.55 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 61.01 2kmn h SER 92 Cb 0.96 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2kmn h SER 92 CO -0.32 0.57 0.12 -0.63 -1.14 0.00 0.00 176.83 175.42 2kmn s ILE 93 N -3.15 4.65 0.00 3.27 1.01 0.17 -1.79 121.20 125.35 2kmn s ILE 93 Ca 0.02 1.02 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 2kmn s ILE 93 Cb 0.09 -3.63 -0.15 0.00 0.01 0.00 0.00 42.46 38.78 2kmn s ILE 93 CO 0.74 -0.16 2.55 -0.81 0.00 0.00 0.00 174.94 177.26 2kmn n PRO 94 N -0.30 1.34 -1.01 2.79 -0.04 -1.26 -4.49 135.00 132.03 2kmn n PRO 94 Ca 0.03 -0.56 -0.00 0.00 -0.04 0.00 0.00 63.50 62.93 2kmn n PRO 94 Cb 0.53 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.32 -0.26 -2.50 0.54 4.71 -1.26 -4.96 120.64 119.23 2kmn n GLU 95 Ca 0.24 0.15 -0.39 0.00 -0.01 0.00 0.00 57.16 57.15 2kmn n GLU 95 Cb 0.63 -3.42 -0.03 0.00 -1.01 0.00 0.00 31.44 27.60 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 -0.58 3.49 -0.01 3.49 -1.52 -1.26 -4.85 119.66 118.42 2kmn s GLN 96 Ca 0.00 -1.10 -0.25 0.00 -1.95 0.00 0.00 55.36 52.06 2kmn s GLN 96 Cb 0.00 -5.34 -0.04 0.00 -0.22 0.00 0.00 33.01 27.41 2kmn s GLN 96 CO 0.00 -2.37 0.77 1.03 -0.25 0.00 0.00 175.29 174.47 2kmn s ARG 97 N 5.17 4.48 0.08 2.91 0.52 -1.25 -4.57 118.95 126.28 2kmn s ARG 97 Ca 0.50 1.04 0.02 0.00 -0.52 0.00 0.00 55.73 56.77 2kmn s ARG 97 Cb -0.00 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2kmn s ARG 97 CO -0.07 0.15 -0.08 0.00 0.02 0.00 0.00 175.30 175.32 2kmn s ALA 98 N 0.43 0.88 -0.41 2.13 0.00 0.17 -4.67 121.76 120.29 2kmn s ALA 98 Ca 0.40 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 2kmn s ALA 98 Cb -0.19 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2kmn s ALA 98 CO 0.22 -0.11 1.32 -1.17 0.00 0.00 0.00 175.76 176.01 2kmn s LEU 99 N -2.41 3.64 -0.22 0.00 0.20 -1.26 -1.56 118.68 117.07 2kmn s LEU 99 Ca 0.03 0.79 -0.12 0.00 0.69 0.00 0.00 54.13 55.52 2kmn s LEU 99 Cb -0.02 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.15 2kmn s LEU 99 CO -0.02 -1.33 0.22 -0.69 -0.29 0.00 0.00 176.35 174.24 2kmn s VAL 100 N 5.00 5.33 -0.07 1.68 1.01 -0.92 -4.73 120.40 127.71 2kmn s VAL 100 Ca 0.57 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2kmn s VAL 100 Cb -0.12 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2kmn s VAL 100 CO 0.31 0.34 1.05 -2.16 0.00 0.00 0.00 175.10 174.64 2kmn s PRO 101 N 0.97 4.44 0.17 2.72 0.04 -1.26 -2.84 135.00 139.25 2kmn s PRO 101 Ca 0.11 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 2kmn s PRO 101 Cb -0.13 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 2kmn s PRO 101 CO 0.04 -0.28 0.23 -0.98 0.04 0.00 0.00 177.00 176.05 2kmn s ARG 102 N 1.80 1.16 0.67 4.56 3.03 0.19 -4.96 118.95 125.41 2kmn s ARG 102 Ca 0.51 -1.33 -0.15 0.00 2.03 0.00 0.00 55.73 56.79 2kmn s ARG 102 Cb -0.21 0.34 0.01 0.00 -1.03 0.00 0.00 34.95 34.06 2kmn s ARG 102 CO 0.21 -0.41 1.12 0.00 -1.13 0.00 0.00 175.30 175.10 2kmn s ALA 103 N -4.03 2.41 0.06 7.88 0.00 -1.26 0.59 121.76 127.41 2kmn s ALA 103 Ca 0.23 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 2kmn s ALA 103 Cb 0.04 -3.34 -0.18 0.00 0.00 0.00 0.00 23.12 19.65 2kmn s ALA 103 CO 0.04 -1.38 1.25 0.93 0.00 0.00 0.00 175.76 176.60 2kmn h GLU 104 N -0.04 0.62 -3.69 0.00 5.08 0.47 -3.41 114.58 113.62 2kmn h GLU 104 Ca -0.47 -0.52 -0.23 0.00 -1.00 0.00 0.00 59.36 57.14 2kmn h GLU 104 Cb 1.25 0.11 -0.28 0.00 0.50 0.00 0.00 28.75 30.33 2kmn h GLU 104 CO 0.53 1.14 -0.70 0.15 -1.00 0.00 0.00 179.01 179.13 2kmn s LYS 105 N -3.67 0.02 -0.12 2.33 1.02 0.11 -0.89 119.74 118.55 2kmn s LYS 105 Ca -0.12 0.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.77 2kmn s LYS 105 Cb 0.07 -0.00 0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2kmn s LYS 105 CO 0.86 -0.01 0.35 0.14 -0.92 0.00 0.00 175.35 175.77 2kmn s VAL 106 N 0.05 0.01 -0.20 3.17 -7.23 0.27 0.35 120.40 116.82 2kmn s VAL 106 Ca -0.00 -0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.04 2kmn s VAL 106 Cb -0.01 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 2kmn s VAL 106 CO -0.00 -0.04 0.01 -0.54 -0.31 0.00 0.00 175.10 174.22 2kmn s LYS 107 N -0.06 3.67 0.06 4.82 -0.14 -0.01 0.51 119.74 128.58 2kmn s LYS 107 Ca -0.02 -0.49 0.02 0.00 -1.36 0.00 0.00 55.97 54.12 2kmn s LYS 107 Cb -0.03 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2kmn s LYS 107 CO 0.01 0.04 -0.08 0.96 -0.76 0.00 0.00 175.35 175.52 2kmn s ILE 108 N 0.95 0.63 -0.13 2.17 -5.25 0.53 -0.27 121.20 119.83 2kmn s ILE 108 Ca 0.02 -1.26 -0.07 0.00 -0.99 0.00 0.00 60.65 58.35 2kmn s ILE 108 Cb -0.14 -0.85 -0.04 0.00 2.95 0.00 0.00 42.46 44.38 2kmn s ILE 108 CO 0.02 -0.45 0.12 -0.13 -1.79 0.00 0.00 174.94 172.71 2kmn s ARG 109 N -2.00 3.50 0.27 0.37 0.52 0.91 -0.56 118.95 121.96 2kmn s ARG 109 Ca -0.05 -0.17 -0.20 0.00 -0.52 0.00 0.00 55.73 54.78 2kmn s ARG 109 Cb -0.07 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.24 2kmn s ARG 109 CO -0.00 0.70 0.68 0.00 0.02 0.00 0.00 175.30 176.70 2kmn s ALA 110 N -0.81 -1.10 0.20 2.13 0.00 0.71 0.99 121.76 123.88 2kmn s ALA 110 Ca 0.14 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.87 2kmn s ALA 110 Cb -0.12 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2kmn s ALA 110 CO 0.03 -1.00 -0.23 -0.48 0.00 0.00 0.00 175.76 174.08 2kmn s LEU 111 N -2.92 2.45 0.55 0.00 0.05 -0.65 0.18 118.68 118.34 2kmn s LEU 111 Ca 0.12 -0.88 -0.04 0.00 0.05 0.00 0.00 54.13 53.38 2kmn s LEU 111 Cb -0.05 -1.14 0.00 0.00 -2.05 0.00 0.00 46.19 42.95 2kmn s LEU 111 CO 0.06 0.11 0.83 -0.62 -0.55 0.00 0.00 176.35 176.18 2kmn s ASP 112 N -2.75 5.69 0.66 1.48 2.15 -0.95 0.16 116.67 123.12 2kmn s ASP 112 Ca 0.21 0.61 0.28 0.00 0.43 0.00 0.00 52.55 54.09 2kmn s ASP 112 Cb -0.08 -1.69 1.54 0.00 -0.30 0.00 0.00 42.92 42.40 2kmn s ASP 112 CO 0.10 -0.94 1.87 -0.09 -0.17 0.00 0.00 175.17 175.94 2kmn h ARG 113 N -0.00 0.00 0.00 4.34 2.43 -1.93 0.40 114.38 119.61 2kmn h ARG 113 Ca -0.46 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 2kmn h ARG 113 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2kmn h ARG 113 CO 0.60 0.00 -0.40 -0.44 -1.51 0.00 0.00 179.97 178.22 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 5.19 -1.95 -3.46 116.42 112.40 2kmn h ASP 114 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2kmn h ASP 114 Cb 0.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2kmn h ASP 114 CO -0.00 0.22 0.00 0.61 -3.12 0.00 0.00 179.24 176.95 2kmn n GLY 115 N 1.18 1.41 2.83 2.75 0.00 0.14 -5.10 105.19 108.40 2kmn n GLY 115 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 1.01 -0.23 1.61 -0.14 -1.25 -4.90 119.74 115.53 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 -2.35 -0.01 0.00 -1.68 0.00 0.00 37.83 33.79 2kmn s LYS 116 CO 0.00 -0.89 1.37 -2.14 -0.76 0.00 0.00 175.35 172.93 2kmn s PRO 117 N 1.45 4.00 0.26 -1.68 0.02 -1.26 -2.25 135.00 135.53 2kmn s PRO 117 Ca 0.07 1.50 0.05 0.00 0.02 0.00 0.00 61.00 62.63 2kmn s PRO 117 Cb -0.18 -3.88 -0.05 0.00 0.02 0.00 0.00 34.50 30.41 2kmn s PRO 117 CO -0.17 -1.02 -0.01 -0.59 -0.33 0.00 0.00 177.00 174.88 2kmn s PHE 118 N 4.26 1.73 -0.12 6.54 -0.12 0.48 -4.89 117.98 125.86 2kmn s PHE 118 Ca 0.60 -0.85 -0.03 0.00 -0.05 0.00 0.00 56.93 56.59 2kmn s PHE 118 Cb -0.21 -1.01 -0.03 0.00 -0.63 0.00 0.00 43.02 41.14 2kmn s PHE 118 CO 0.22 0.07 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.24 2kmn s GLU 119 N -3.82 3.32 0.01 1.99 8.01 -1.26 -0.21 118.70 126.74 2kmn s GLU 119 Ca 0.30 -0.46 0.03 0.00 0.01 0.00 0.00 54.97 54.85 2kmn s GLU 119 Cb 0.05 -2.86 -0.01 0.00 -4.31 0.00 0.00 34.13 27.00 2kmn s GLU 119 CO 0.10 0.48 -0.10 -0.48 0.01 0.00 0.00 175.26 175.27 2kmn s LEU 120 N -0.28 2.08 -0.22 1.80 2.34 0.28 -4.97 118.68 119.70 2kmn s LEU 120 Ca 0.06 -0.27 -0.16 0.00 0.06 0.00 0.00 54.13 53.81 2kmn s LEU 120 Cb -0.12 -0.49 -0.04 0.00 -0.56 0.00 0.00 46.19 44.98 2kmn s LEU 120 CO 0.02 0.07 0.42 -1.83 -1.06 0.00 0.00 176.35 173.97 2kmn s GLU 121 N -0.56 4.13 -0.08 1.48 -1.05 -1.26 -0.35 118.70 121.00 2kmn s GLU 121 Ca 0.02 0.20 0.03 0.00 -0.15 0.00 0.00 54.97 55.07 2kmn s GLU 121 Cb -0.05 -3.58 -0.02 0.00 -0.44 0.00 0.00 34.13 30.04 2kmn s GLU 121 CO 0.00 -0.14 -0.17 0.00 0.95 0.00 0.00 175.26 175.90 2kmn s ALA 122 N 1.62 2.50 0.23 -0.84 0.00 0.18 -4.95 121.76 120.50 2kmn s ALA 122 Ca 0.19 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2kmn s ALA 122 Cb -0.15 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 2kmn s ALA 122 CO 0.09 0.39 -0.10 -0.51 0.00 0.00 0.00 175.76 175.63 2kmn s ASP 123 N -0.12 2.51 0.64 0.00 1.01 -1.26 0.97 116.67 120.42 2kmn s ASP 123 Ca -0.02 -1.10 0.00 0.00 0.71 0.00 0.00 52.55 52.14 2kmn s ASP 123 Cb -0.14 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.67 2kmn s ASP 123 CO 0.04 -0.27 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2kmn n GLY 124 N -0.44 2.51 0.38 0.21 0.00 -0.06 -1.24 105.19 106.55 2kmn n GLY 124 Ca -0.07 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2kmn n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kmn h LEU 125 N 0.00 0.47 0.12 0.99 -0.00 -1.98 0.37 115.31 115.28 2kmn h LEU 125 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2kmn h LEU 125 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2kmn h LEU 125 CO 0.00 0.23 -0.06 0.25 -0.00 0.00 0.00 178.44 178.86 2kmn h LEU 126 N 0.49 -0.13 -0.73 1.67 5.85 -1.54 -1.84 115.31 119.08 2kmn h LEU 126 Ca 0.41 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2kmn h LEU 126 Cb 0.87 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2kmn h LEU 126 CO -0.15 0.36 0.46 0.00 -0.34 0.00 0.00 178.44 178.77 2kmn h ALA 127 N 0.10 0.95 0.40 1.25 0.00 -0.38 -1.70 119.26 119.87 2kmn h ALA 127 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2kmn h ALA 127 Cb 0.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kmn h ALA 127 CO 0.03 0.27 -0.19 0.82 0.00 0.00 0.00 179.25 180.17 2kmn h ILE 128 N 0.92 0.50 -0.16 0.00 1.08 -0.32 -2.28 117.51 117.24 2kmn h ILE 128 Ca 0.29 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 2kmn h ILE 128 Cb -0.01 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 2kmn h ILE 128 CO -0.10 0.09 -0.05 0.00 -0.69 0.00 0.00 178.15 177.39 2kmn h ILE 130 N -0.02 1.09 -0.38 0.00 2.10 -1.40 -1.72 117.51 117.17 2kmn h ILE 130 Ca 0.08 -0.26 -0.12 0.00 1.08 0.00 0.00 64.86 65.64 2kmn h ILE 130 Cb 0.15 0.28 -0.01 0.00 -1.09 0.00 0.00 36.82 36.14 2kmn h ILE 130 CO -0.18 0.14 -0.26 0.06 -1.08 0.00 0.00 178.15 176.83 2kmn h GLN 131 N 0.75 0.79 -0.17 2.19 3.07 -1.07 -2.43 115.11 118.23 2kmn h GLN 131 Ca 0.24 -0.33 0.03 0.00 0.09 0.00 0.00 58.65 58.68 2kmn h GLN 131 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.50 2kmn h GLN 131 CO -0.09 0.96 -0.04 1.25 0.09 0.00 0.00 178.83 180.99 2kmn h HIS 132 N 0.68 -0.09 -0.78 0.06 2.76 -0.07 -1.22 115.15 116.49 2kmn h HIS 132 Ca 0.09 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2kmn h HIS 132 Cb 0.78 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.77 2kmn h HIS 132 CO 0.04 -0.07 0.51 0.93 -1.30 0.00 0.00 177.93 178.04 2kmn h GLU 133 N -0.00 1.03 -0.25 5.26 4.39 -1.27 0.15 114.58 123.89 2kmn h GLU 133 Ca 0.08 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2kmn h GLU 133 Cb 0.12 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2kmn h GLU 133 CO -0.18 0.69 0.05 0.52 -1.16 0.00 0.00 179.01 178.93 2kmn h MET 134 N 1.06 0.14 -0.21 2.33 2.86 -0.89 0.20 114.93 120.43 2kmn h MET 134 Ca 0.28 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 2kmn h MET 134 Cb -0.11 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2kmn h MET 134 CO -0.06 0.10 -0.01 0.38 1.06 0.00 0.00 176.91 178.38 2kmn h ASP 135 N 0.15 0.37 -0.07 1.22 3.04 -0.86 -2.07 116.42 118.20 2kmn h ASP 135 Ca 0.11 -0.32 0.03 0.00 -3.24 0.00 0.00 57.03 53.62 2kmn h ASP 135 Cb 0.11 -0.10 -0.03 0.00 -1.04 0.00 0.00 39.33 38.27 2kmn h ASP 135 CO -0.15 0.60 -0.12 -0.74 -2.04 0.00 0.00 179.24 176.79 2kmn h HIS 136 N 0.13 -0.29 -0.02 4.15 2.76 -0.18 0.23 115.15 121.93 2kmn h HIS 136 Ca 0.06 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2kmn h HIS 136 Cb 0.41 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 2kmn h HIS 136 CO 0.04 -0.17 -0.06 1.37 -1.30 0.00 0.00 177.93 177.80 2kmn h LEU 137 N -0.16 0.02 -2.33 0.26 8.10 -0.58 0.51 115.31 121.13 2kmn h LEU 137 Ca 0.07 -0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.95 2kmn h LEU 137 Cb 0.26 -0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.41 2kmn h LEU 137 CO -0.17 0.08 0.13 0.55 -4.11 0.00 0.00 178.44 174.92 2kmn n VAL 138 N -4.46 1.40 -1.30 0.15 3.14 -0.71 -0.58 118.33 115.97 2kmn n VAL 138 Ca -0.03 -0.56 -0.11 0.00 -2.96 0.00 0.00 64.34 60.68 2kmn n VAL 138 Cb 0.15 -0.66 -0.05 0.00 -1.06 0.00 0.00 33.84 32.22 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 1.03 3.35 7.55 0.00 0.97 -4.18 105.19 113.96 2kmn n GLY 139 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.88 3.44 -0.01 1.61 -2.85 0.72 -4.32 119.74 115.45 2kmn s LYS 140 Ca 0.00 -0.60 0.02 0.00 -1.00 0.00 0.00 55.97 54.40 2kmn s LYS 140 Cb 0.00 -3.12 -0.00 0.00 -2.06 0.00 0.00 37.83 32.65 2kmn s LYS 140 CO 0.00 -0.21 -0.08 -0.51 0.10 0.00 0.00 175.35 174.65 2kmn s LEU 141 N 1.52 1.94 0.37 2.77 1.02 -1.26 -2.15 118.68 122.88 2kmn s LEU 141 Ca 0.06 -0.15 0.07 0.00 0.02 0.00 0.00 54.13 54.13 2kmn s LEU 141 Cb -0.15 -0.44 0.71 0.00 0.02 0.00 0.00 46.19 46.34 2kmn s LEU 141 CO -0.01 0.09 1.91 -0.26 0.02 0.00 0.00 176.35 178.09 2kmn h PHE 142 N 6.08 0.40 -0.31 0.29 -1.00 -1.97 -2.14 116.94 118.29 2kmn h PHE 142 Ca -0.31 -0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.52 2kmn h PHE 142 Cb 1.18 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 2kmn h PHE 142 CO 0.41 0.44 0.47 1.98 -1.61 0.00 0.00 178.31 180.00 2kmn h MET 143 N 0.37 0.00 -0.54 1.51 4.05 -1.96 -2.18 114.93 116.18 2kmn h MET 143 Ca 0.08 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.66 2kmn h MET 143 Cb 0.32 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2kmn h MET 143 CO 0.01 0.00 0.66 0.22 0.23 0.00 0.00 176.91 178.03 2kmn h ASP 144 N 0.00 0.00 -1.00 1.39 3.58 -1.82 -1.59 116.42 116.98 2kmn h ASP 144 Ca 0.15 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.15 2kmn h ASP 144 Cb 1.08 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.72 2kmn h ASP 144 CO -0.00 0.00 -0.97 0.00 -2.88 0.00 0.00 179.24 175.39 2kmn n TYR 145 N -3.50 2.17 -3.39 0.28 9.36 -0.82 -5.08 117.16 116.19 2kmn n TYR 145 Ca 0.11 -2.66 -0.38 0.00 3.32 0.00 0.00 57.90 58.29 2kmn n TYR 145 Cb 0.86 -0.25 -0.06 0.00 -0.63 0.00 0.00 39.34 39.26 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 -3.47 4.48 0.00 2.98 2.01 -0.60 -5.15 118.68 118.92 2kmn s LEU 146 Ca 0.38 1.10 0.16 0.00 0.01 0.00 0.00 54.13 55.78 2kmn s LEU 146 Cb 0.41 -2.81 0.95 0.00 0.01 0.00 0.00 46.19 44.74 2kmn s LEU 146 CO -0.05 0.27 1.36 -0.24 1.01 0.00 0.00 176.35 178.71