#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 4.92 0.00 2.46 1.01 -1.26 -4.20 120.40 123.33 2kmn s VAL 2 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2kmn s VAL 2 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2kmn s VAL 2 CO 0.00 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.49 2kmn n LEU 3 N 2.92 0.00 -4.25 3.92 -0.00 -1.26 -4.98 117.00 113.34 2kmn n LEU 3 Ca -0.06 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.56 2kmn n LEU 3 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 2kmn n LEU 3 CO 0.44 0.00 -0.11 -1.58 -0.00 0.00 0.00 177.39 176.14 2kmn s GLN 4 N 0.00 2.56 -0.16 1.47 0.74 -1.26 -5.06 119.66 117.94 2kmn s GLN 4 Ca 0.00 -1.49 -0.22 0.00 0.05 0.00 0.00 55.36 53.70 2kmn s GLN 4 Cb 0.00 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 2kmn s GLN 4 CO 0.00 -0.96 0.68 0.08 -0.55 0.00 0.00 175.29 174.54 2kmn s VAL 5 N 1.40 5.00 0.08 1.34 1.01 -1.26 -2.89 120.40 125.08 2kmn s VAL 5 Ca 0.03 1.32 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 2kmn s VAL 5 Cb -0.23 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2kmn s VAL 5 CO 0.01 0.13 0.64 -0.76 0.00 0.00 0.00 175.10 175.12 2kmn s LEU 6 N 1.68 4.52 0.09 3.92 1.43 0.14 -4.93 118.68 125.53 2kmn s LEU 6 Ca 0.32 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 2kmn s LEU 6 Cb -0.16 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2kmn s LEU 6 CO 0.12 0.21 -0.07 -1.00 0.23 0.00 0.00 176.35 175.84 2kmn s HIS 7 N -0.87 2.82 0.50 0.29 3.76 -1.26 -4.07 115.29 116.45 2kmn s HIS 7 Ca 0.32 -0.11 -0.23 0.00 -0.15 0.00 0.00 55.06 54.89 2kmn s HIS 7 Cb -0.20 -1.48 -0.07 0.00 1.11 0.00 0.00 32.58 31.94 2kmn s HIS 7 CO 0.21 0.43 1.22 -0.89 -0.85 0.00 0.00 174.74 174.86 2kmn n ILE 8 N 0.75 3.25 -1.72 0.60 2.08 -0.11 -0.74 119.36 123.46 2kmn n ILE 8 Ca -0.13 -0.50 -0.32 0.00 0.56 0.00 0.00 62.75 62.36 2kmn n ILE 8 Cb 0.52 -1.49 -0.03 0.00 -0.75 0.00 0.00 39.64 37.90 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 -0.55 3.06 -1.66 0.38 -0.04 -1.26 -4.91 135.00 130.02 2kmn n PRO 9 Ca 0.10 -2.89 -0.45 0.00 -0.04 0.00 0.00 63.50 60.21 2kmn n PRO 9 Cb 0.43 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 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 0.75 2.56 -0.17 3.54 -0.08 0.08 -4.89 116.55 118.34 2kmn n ASP 10 Ca 0.52 1.14 -0.06 0.00 -1.51 0.00 0.00 54.79 54.88 2kmn n ASP 10 Cb 0.42 -1.40 0.03 0.00 2.34 0.00 0.00 41.12 42.52 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 4.17 0.61 -0.03 -0.67 4.11 -1.96 -2.15 114.58 118.66 2kmn h GLU 11 Ca -0.45 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 58.95 2kmn h GLU 11 Cb 1.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2kmn h GLU 11 CO 0.75 0.40 0.04 0.00 0.07 0.00 0.00 179.01 180.28 2kmn h ARG 12 N 0.63 0.00 -0.05 1.06 3.08 -1.90 0.54 114.38 117.75 2kmn h ARG 12 Ca 0.20 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 2kmn h ARG 12 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2kmn h ARG 12 CO -0.07 0.00 -0.71 -0.07 -1.07 0.00 0.00 179.97 178.05 2kmn h LEU 13 N 0.00 0.29 -2.62 3.04 3.38 -1.56 -2.47 115.31 115.38 2kmn h LEU 13 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kmn h LEU 13 Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kmn h LEU 13 CO -0.00 0.91 0.00 0.54 0.09 0.00 0.00 178.44 179.98 2kmn n ARG 14 N -3.80 2.83 -3.20 1.13 5.12 0.20 -3.60 116.66 115.35 2kmn n ARG 14 Ca -0.03 -2.52 -0.34 0.00 -1.93 0.00 0.00 57.85 53.03 2kmn n ARG 14 Cb 0.69 -1.61 -0.06 0.00 -1.16 0.00 0.00 32.46 30.32 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 -1.27 4.03 -0.27 5.56 2.20 0.17 -4.22 119.74 125.94 2kmn s LYS 15 Ca 0.46 0.64 -0.27 0.00 -0.36 0.00 0.00 55.97 56.44 2kmn s LYS 15 Cb 0.26 -2.63 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 2kmn s LYS 15 CO 0.29 0.28 0.95 0.08 -0.36 0.00 0.00 175.35 176.59 2kmn s VAL 16 N -1.78 4.70 0.38 4.02 1.01 -1.26 -0.82 120.40 126.64 2kmn s VAL 16 Ca 0.48 1.70 -0.24 0.00 0.00 0.00 0.00 61.98 63.92 2kmn s VAL 16 Cb -0.12 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 2kmn s VAL 16 CO 0.19 -0.24 0.99 0.00 0.00 0.00 0.00 175.10 176.04 2kmn s ALA 17 N 3.18 3.11 -0.20 5.51 0.00 -0.40 -4.83 121.76 128.12 2kmn s ALA 17 Ca 0.40 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 2kmn s ALA 17 Cb -0.14 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2kmn s ALA 17 CO 0.10 0.01 0.07 0.21 0.00 0.00 0.00 175.76 176.14 2kmn s LYS 18 N -2.52 3.93 -0.32 0.00 2.20 -1.26 -4.35 119.74 117.42 2kmn s LYS 18 Ca 0.56 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2kmn s LYS 18 Cb -0.17 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2kmn s LYS 18 CO 0.22 0.18 1.17 -1.25 -0.36 0.00 0.00 175.35 175.32 2kmn s PRO 19 N 0.62 3.99 0.42 4.03 0.04 -1.26 -1.07 135.00 141.77 2kmn s PRO 19 Ca 0.04 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 2kmn s PRO 19 Cb -0.13 -3.81 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2kmn s PRO 19 CO 0.01 -1.02 1.22 0.08 0.04 0.00 0.00 177.00 177.34 2kmn s VAL 20 N 3.99 2.92 0.32 -0.36 1.01 -1.26 -4.93 120.40 122.08 2kmn s VAL 20 Ca 0.50 0.76 0.21 0.00 0.00 0.00 0.00 61.98 63.45 2kmn s VAL 20 Cb -0.14 -3.42 0.20 0.00 0.00 0.00 0.00 36.38 33.01 2kmn s VAL 20 CO 0.20 0.06 1.90 -0.33 0.00 0.00 0.00 175.10 176.93 2kmn h GLU 21 N 2.45 0.00 -2.51 2.72 5.08 -2.02 -3.45 114.58 116.85 2kmn h GLU 21 Ca -0.49 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 2kmn h GLU 21 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 2kmn h GLU 21 CO 0.62 0.25 -0.08 -2.00 -1.00 0.00 0.00 179.01 176.80 2kmn s GLU 22 N -4.02 0.73 -0.64 2.33 2.12 -1.26 -5.12 118.70 112.85 2kmn s GLU 22 Ca -0.02 0.36 -0.28 0.00 0.36 0.00 0.00 54.97 55.39 2kmn s GLU 22 Cb 0.13 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.89 2kmn s GLU 22 CO 0.65 -0.17 1.25 0.08 -0.54 0.00 0.00 175.26 176.54 2kmn s VAL 23 N -0.52 3.88 0.29 3.70 1.01 -1.26 -5.00 120.40 122.50 2kmn s VAL 23 Ca -0.06 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 2kmn s VAL 23 Cb -0.03 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 2kmn s VAL 23 CO 0.04 -1.51 0.53 0.20 0.00 0.00 0.00 175.10 174.36 2kmn s ASN 24 N 3.41 6.41 0.58 3.32 0.02 -1.26 -4.89 114.94 122.53 2kmn s ASN 24 Ca 0.41 0.63 0.28 0.00 -1.02 0.00 0.00 52.86 53.16 2kmn s ASN 24 Cb -0.08 -2.11 1.61 0.00 0.02 0.00 0.00 41.25 40.70 2kmn s ASN 24 CO 0.22 -0.20 2.07 0.00 0.02 0.00 0.00 177.10 179.21 2kmn h ALA 25 N 1.55 1.89 -0.04 0.60 0.00 -1.98 0.88 119.26 122.16 2kmn h ALA 25 Ca -0.48 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 2kmn h ALA 25 Cb 1.19 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.02 2kmn h ALA 25 CO 0.66 -0.36 -0.94 0.93 0.00 0.00 0.00 179.25 179.54 2kmn h GLU 26 N 0.00 0.70 -0.29 0.00 4.39 -1.99 -2.19 114.58 115.19 2kmn h GLU 26 Ca 0.11 -0.70 -0.09 0.00 0.34 0.00 0.00 59.36 59.01 2kmn h GLU 26 Cb 0.59 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2kmn h GLU 26 CO -0.00 1.29 -0.20 0.82 -1.16 0.00 0.00 179.01 179.76 2kmn h ILE 27 N 0.38 1.26 -0.31 3.13 5.03 -0.25 -2.15 117.51 124.59 2kmn h ILE 27 Ca -0.11 -1.19 -0.16 0.00 -0.12 0.00 0.00 64.86 63.28 2kmn h ILE 27 Cb 1.59 1.25 -0.00 0.00 -3.03 0.00 0.00 36.82 36.63 2kmn h ILE 27 CO 0.19 0.39 -0.46 1.56 -0.68 0.00 0.00 178.15 179.14 2kmn h GLN 28 N 0.48 0.82 -0.68 2.37 4.20 0.52 -2.54 115.11 120.28 2kmn h GLN 28 Ca 0.08 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 2kmn h GLN 28 Cb 0.61 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2kmn h GLN 28 CO 0.04 1.10 0.19 0.00 -0.67 0.00 0.00 178.83 179.49 2kmn h ARG 29 N 0.65 1.06 -0.23 1.46 3.08 -1.19 -0.01 114.38 119.20 2kmn h ARG 29 Ca 0.04 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.89 2kmn h ARG 29 Cb 1.04 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2kmn h ARG 29 CO 0.10 0.92 0.02 0.82 -1.07 0.00 0.00 179.97 180.76 2kmn h ILE 30 N 1.01 0.86 -0.48 2.04 2.04 -1.21 -1.48 117.51 120.30 2kmn h ILE 30 Ca 0.22 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.94 2kmn h ILE 30 Cb 0.32 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2kmn h ILE 30 CO -0.00 0.02 -0.11 0.58 0.00 0.00 0.00 178.15 178.63 2kmn h VAL 31 N 0.10 1.27 -0.74 1.67 2.07 -1.18 -1.08 116.25 118.36 2kmn h VAL 31 Ca 0.11 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.48 2kmn h VAL 31 Cb 0.12 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 2kmn h VAL 31 CO -0.16 0.43 0.39 0.44 0.02 0.00 0.00 177.57 178.68 2kmn h ASP 32 N 0.78 0.52 0.88 0.57 3.32 -0.58 0.18 116.42 122.08 2kmn h ASP 32 Ca 0.12 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 2kmn h ASP 32 Cb 0.66 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2kmn h ASP 32 CO 0.05 0.30 -0.76 0.44 -1.72 0.00 0.00 179.24 177.54 2kmn h ASP 33 N 0.65 0.00 -0.40 6.45 3.32 -1.22 -2.60 116.42 122.62 2kmn h ASP 33 Ca 0.37 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.42 2kmn h ASP 33 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2kmn h ASP 33 CO -0.26 0.76 0.26 0.24 -1.72 0.00 0.00 179.24 178.52 2kmn h MET 34 N 0.00 0.52 -0.18 3.56 2.86 0.36 0.91 114.93 122.96 2kmn h MET 34 Ca -0.01 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2kmn h MET 34 Cb 1.41 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 2kmn h MET 34 CO 0.10 0.34 -0.19 0.27 1.06 0.00 0.00 176.91 178.49 2kmn h PHE 35 N 0.53 0.54 -0.97 -0.22 -5.15 -1.40 0.55 116.94 110.83 2kmn h PHE 35 Ca 0.15 -0.16 0.17 0.00 -0.20 0.00 0.00 57.97 57.93 2kmn h PHE 35 Cb -0.05 -0.11 -0.09 0.00 0.22 0.00 0.00 35.95 35.91 2kmn h PHE 35 CO -0.05 0.82 0.61 0.93 -2.00 0.00 0.00 178.31 178.62 2kmn h GLU 36 N 0.11 0.70 0.41 6.09 5.08 -1.03 0.19 114.58 126.13 2kmn h GLU 36 Ca 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kmn h GLU 36 Cb 0.73 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2kmn h GLU 36 CO 0.05 0.46 -0.20 1.15 -1.00 0.00 0.00 179.01 179.47 2kmn h THR 37 N 0.72 0.00 -0.98 1.13 2.02 0.11 -2.26 112.91 113.64 2kmn h THR 37 Ca 0.52 -0.43 0.29 0.00 0.77 0.00 0.00 66.41 67.57 2kmn h THR 37 Cb 0.86 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.13 2kmn h THR 37 CO -0.29 0.00 0.52 -0.03 0.37 0.00 0.00 175.52 176.09 2kmn h MET 38 N -0.98 0.35 -0.25 6.66 -1.53 0.39 1.46 114.93 121.04 2kmn h MET 38 Ca -0.06 -0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.07 2kmn h MET 38 Cb 0.42 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.39 2kmn h MET 38 CO 0.09 0.23 -0.29 1.88 0.14 0.00 0.00 176.91 178.96 2kmn h TYR 39 N 0.36 0.78 0.00 1.39 -1.99 -0.77 0.68 116.97 117.42 2kmn h TYR 39 Ca 0.68 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 61.16 2kmn h TYR 39 Cb 1.47 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 40.04 2kmn h TYR 39 CO -0.05 0.98 -0.02 0.00 -0.00 0.00 0.00 178.16 179.06 2kmn h ALA 40 N 0.67 1.48 0.00 3.88 0.00 0.23 1.09 119.26 126.61 2kmn h ALA 40 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kmn h ALA 40 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kmn h ALA 40 CO 0.07 0.03 -0.50 -1.91 0.00 0.00 0.00 179.25 176.94 2kmn n GLU 41 N -3.81 0.09 -2.01 0.00 4.07 0.23 -4.91 120.64 114.29 2kmn n GLU 41 Ca -0.03 0.02 -0.16 0.00 -0.06 0.00 0.00 57.16 56.93 2kmn n GLU 41 Cb 0.11 -1.55 -0.03 0.00 -0.06 0.00 0.00 31.44 29.90 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 -1.68 -1.26 -2.84 5.31 1.02 0.38 -4.98 120.64 116.59 2kmn n GLU 42 Ca 0.05 0.90 -0.38 0.00 -0.02 0.00 0.00 57.16 57.71 2kmn n GLU 42 Cb 0.37 -5.24 -0.06 0.00 -0.02 0.00 0.00 31.44 26.49 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 2.88 0.00 0.62 0.00 0.22 -4.96 107.32 103.62 2kmn s GLY 43 Ca 0.00 0.48 0.31 0.00 0.00 0.00 0.00 44.72 45.51 2kmn s GLY 43 CO 0.00 0.95 2.15 1.39 0.00 0.00 0.00 173.10 177.59 2kmn n ILE 44 N 0.96 0.01 0.00 0.90 2.08 -1.26 -4.43 119.36 117.61 2kmn n ILE 44 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2kmn n ILE 44 Cb 0.49 -0.52 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 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 0.98 1.20 3.14 7.39 0.00 -1.26 0.19 105.19 116.83 2kmn n GLY 45 Ca 0.22 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.19 0.99 2.96 0.22 -4.91 118.68 119.66 2kmn s LEU 46 Ca 0.00 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 2kmn s LEU 46 Cb 0.00 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 2kmn s LEU 46 CO 0.00 0.15 0.14 0.00 -1.32 0.00 0.00 176.35 175.31 2kmn s ALA 47 N 0.14 3.71 0.11 5.97 0.00 -1.26 -1.31 121.76 129.13 2kmn s ALA 47 Ca -0.07 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2kmn s ALA 47 Cb -0.13 -2.15 0.10 0.00 0.00 0.00 0.00 23.12 20.94 2kmn s ALA 47 CO 0.03 0.22 0.80 0.00 0.00 0.00 0.00 175.76 176.82 2kmn n ALA 48 N 3.31 -0.10 -0.25 0.00 0.00 0.17 0.98 120.51 124.62 2kmn n ALA 48 Ca -0.16 0.51 0.15 0.00 0.00 0.00 0.00 53.44 53.93 2kmn n ALA 48 Cb 0.52 -0.21 0.44 0.00 0.00 0.00 0.00 19.45 20.20 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 0.76 -0.59 0.00 1.35 -1.74 0.13 112.91 112.81 2kmn h THR 49 Ca 0.17 -0.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.79 2kmn h THR 49 Cb 0.30 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 66.85 2kmn h THR 49 CO -0.51 0.10 0.20 1.56 -0.25 0.00 0.00 175.52 176.62 2kmn h GLN 50 N 0.56 0.91 -0.66 4.72 4.20 0.34 -1.96 115.11 123.23 2kmn h GLN 50 Ca 0.46 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2kmn h GLN 50 Cb 0.92 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2kmn h GLN 50 CO -0.20 0.81 0.00 1.33 -0.67 0.00 0.00 178.83 180.10 2kmn n VAL 51 N -4.42 0.38 -2.11 -0.54 0.24 0.27 0.29 118.33 112.44 2kmn n VAL 51 Ca 0.03 -0.22 -0.07 0.00 -2.04 0.00 0.00 64.34 62.05 2kmn n VAL 51 Cb 0.20 -0.27 -0.00 0.00 -1.47 0.00 0.00 33.84 32.29 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 0.03 -2.56 -4.04 -1.34 2.03 -0.74 -4.07 116.55 105.87 2kmn n ASP 52 Ca 0.05 -0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 2kmn n ASP 52 Cb 0.31 -1.88 -0.15 0.00 -0.72 0.00 0.00 41.12 38.68 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 -2.32 2.03 -1.29 5.18 -5.25 -0.22 -4.98 121.20 114.35 2kmn s ILE 53 Ca 0.00 -1.58 -0.11 0.00 -0.99 0.00 0.00 60.65 57.96 2kmn s ILE 53 Cb 0.00 -2.19 -0.06 0.00 2.95 0.00 0.00 42.46 43.16 2kmn s ILE 53 CO 0.00 -0.07 2.44 0.00 -1.79 0.00 0.00 174.94 175.52 2kmn n HIS 54 N 4.47 2.32 -3.69 1.37 1.44 -1.26 -2.71 115.22 117.18 2kmn n HIS 54 Ca -0.13 -2.61 -0.10 0.00 -2.01 0.00 0.00 57.72 52.87 2kmn n HIS 54 Cb 0.42 -2.19 -0.10 0.00 0.12 0.00 0.00 29.99 28.25 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 3.10 0.51 -0.22 -1.40 -0.21 -1.26 -3.99 119.66 116.18 2kmn s GLN 55 Ca 0.55 0.86 -0.26 0.00 0.02 0.00 0.00 55.36 56.53 2kmn s GLN 55 Cb 0.15 0.09 -0.29 0.00 1.00 0.00 0.00 33.01 33.96 2kmn s GLN 55 CO -0.04 -0.13 1.65 0.54 -2.12 0.00 0.00 175.29 175.19 2kmn n ARG 56 N 3.92 0.44 -4.12 2.91 1.74 -0.23 -4.52 116.66 116.80 2kmn n ARG 56 Ca -0.20 -1.19 -0.34 0.00 -0.77 0.00 0.00 57.85 55.34 2kmn n ARG 56 Cb 0.56 -2.57 -0.14 0.00 -1.02 0.00 0.00 32.46 29.30 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 6.25 3.40 0.03 0.55 -1.09 -1.26 0.13 121.20 129.21 2kmn s ILE 57 Ca 0.60 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 2kmn s ILE 57 Cb 0.14 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 2kmn s ILE 57 CO 0.26 0.45 -0.16 0.27 -1.23 0.00 0.00 174.94 174.52 2kmn s ILE 58 N 1.14 1.28 -0.03 2.92 -5.25 -0.06 0.45 121.20 121.64 2kmn s ILE 58 Ca 0.02 -0.98 0.04 0.00 -0.99 0.00 0.00 60.65 58.74 2kmn s ILE 58 Cb -0.15 -1.13 -0.01 0.00 2.95 0.00 0.00 42.46 44.13 2kmn s ILE 58 CO -0.01 0.13 -0.16 0.68 -1.79 0.00 0.00 174.94 173.79 2kmn s VAL 59 N -0.74 1.28 0.13 8.37 -7.23 -0.42 -0.19 120.40 121.60 2kmn s VAL 59 Ca 0.04 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 59.64 2kmn s VAL 59 Cb -0.08 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 2kmn s VAL 59 CO 0.01 0.37 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.38 2kmn s ILE 60 N -0.15 2.97 -0.04 -0.62 1.01 0.23 -0.61 121.20 123.99 2kmn s ILE 60 Ca 0.01 -1.52 0.12 0.00 0.00 0.00 0.00 60.65 59.26 2kmn s ILE 60 Cb -0.09 -2.39 0.22 0.00 0.01 0.00 0.00 42.46 40.21 2kmn s ILE 60 CO 0.01 0.05 1.10 -0.67 0.00 0.00 0.00 174.94 175.42 2kmn n ASP 61 N 0.61 0.81 -4.54 3.58 2.03 0.52 0.23 116.55 119.80 2kmn n ASP 61 Ca -0.14 -2.34 -0.42 0.00 0.52 0.00 0.00 54.79 52.41 2kmn n ASP 61 Cb 0.53 -0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.73 5.04 -0.10 5.18 1.01 -1.01 -4.73 120.40 125.06 2kmn s VAL 62 Ca 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 2kmn s VAL 62 Cb 0.20 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2kmn s VAL 62 CO -0.06 -0.27 1.00 -1.20 0.00 0.00 0.00 175.10 174.57 2kmn n SER 63 N 5.69 -1.70 0.20 3.32 7.64 -1.26 -4.70 113.62 122.81 2kmn n SER 63 Ca -0.06 -1.15 0.07 0.00 1.01 0.00 0.00 58.87 58.74 2kmn n SER 63 Cb 0.49 -0.52 0.36 0.00 -1.01 0.00 0.00 64.21 63.52 2kmn n SER 63 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kmn h GLU 64 N 8.11 0.00 0.00 1.43 4.81 -1.93 -3.48 114.58 123.52 2kmn h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kmn h GLU 64 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2kmn h GLU 64 CO 0.94 0.33 0.00 -1.71 -0.73 0.00 0.00 179.01 177.84 2kmn n ASN 65 N -3.46 2.85 -1.58 1.04 2.85 -1.26 -4.97 115.26 110.73 2kmn n ASN 65 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 2kmn n ASN 65 Cb 0.50 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.53 2kmn n ASN 65 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kmn n ARG 66 N 0.00 1.29 -3.64 1.20 5.12 -1.26 -4.65 116.66 114.72 2kmn n ARG 66 Ca 0.00 -0.58 -0.05 0.00 -1.93 0.00 0.00 57.85 55.29 2kmn n ARG 66 Cb 0.00 -1.23 -0.06 0.00 -1.16 0.00 0.00 32.46 30.01 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kmn s ASP 67 N 1.21 -1.01 -0.79 0.55 1.01 -1.26 -5.08 116.67 111.29 2kmn s ASP 67 Ca 0.11 1.52 0.02 0.00 0.71 0.00 0.00 52.55 54.92 2kmn s ASP 67 Cb 0.09 1.73 0.32 0.00 1.01 0.00 0.00 42.92 46.07 2kmn s ASP 67 CO 0.00 -0.23 1.29 -0.62 0.21 0.00 0.00 175.17 175.82 2kmn n GLU 68 N 4.73 4.07 -3.31 8.23 1.02 -1.26 -3.69 120.64 130.43 2kmn n GLU 68 Ca -0.17 -4.76 -0.10 0.00 -0.02 0.00 0.00 57.16 52.11 2kmn n GLU 68 Cb 0.55 -2.35 -0.06 0.00 -0.02 0.00 0.00 31.44 29.57 2kmn n GLU 68 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2kmn s ARG 69 N -3.64 0.52 -0.08 3.49 3.00 -1.26 -4.75 118.95 116.23 2kmn s ARG 69 Ca 0.43 -0.19 0.01 0.00 -1.00 0.00 0.00 55.73 54.98 2kmn s ARG 69 Cb 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 34.95 34.76 2kmn s ARG 69 CO -0.10 -1.10 -0.09 -0.51 0.00 0.00 0.00 175.30 173.50 2kmn s LEU 70 N 2.16 3.03 -0.04 -0.88 1.02 0.14 -4.99 118.68 119.12 2kmn s LEU 70 Ca 0.12 -0.11 0.02 0.00 0.02 0.00 0.00 54.13 54.18 2kmn s LEU 70 Cb -0.12 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.44 2kmn s LEU 70 CO -0.21 0.31 -0.07 0.54 0.02 0.00 0.00 176.35 176.95 2kmn s VAL 71 N -0.52 0.68 -0.01 -1.59 0.11 -1.26 0.76 120.40 118.57 2kmn s VAL 71 Ca 0.07 -0.26 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2kmn s VAL 71 Cb -0.12 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2kmn s VAL 71 CO 0.02 0.24 0.06 -0.76 -3.33 0.00 0.00 175.10 171.32 2kmn s LEU 72 N 0.53 1.81 -0.05 2.54 2.01 0.73 -4.29 118.68 121.96 2kmn s LEU 72 Ca -0.08 -0.02 0.06 0.00 0.01 0.00 0.00 54.13 54.10 2kmn s LEU 72 Cb -0.11 0.26 -0.01 0.00 0.01 0.00 0.00 46.19 46.33 2kmn s LEU 72 CO 0.01 -0.12 -0.24 -0.63 1.01 0.00 0.00 176.35 176.38 2kmn s ILE 73 N -0.41 1.95 -1.74 -0.59 1.09 0.43 -0.88 121.20 121.04 2kmn s ILE 73 Ca -0.05 -1.02 -0.19 0.00 -1.10 0.00 0.00 60.65 58.29 2kmn s ILE 73 Cb -0.03 -1.64 0.17 0.00 -1.06 0.00 0.00 42.46 39.90 2kmn s ILE 73 CO 0.00 0.54 0.75 -0.46 -0.10 0.00 0.00 174.94 175.68 2kmn n ASN 74 N 2.88 -3.01 -4.64 3.58 0.23 0.34 -1.95 115.26 112.69 2kmn n ASN 74 Ca -0.17 -1.06 -0.37 0.00 -0.53 0.00 0.00 54.58 52.45 2kmn n ASN 74 Cb 0.52 -2.54 0.07 0.00 -2.08 0.00 0.00 39.78 35.74 2kmn n ASN 74 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2kmn n PRO 75 N -4.33 0.80 -4.14 -0.53 -0.02 -1.25 -4.77 135.00 120.76 2kmn n PRO 75 Ca 0.08 0.32 -0.15 0.00 -2.02 0.00 0.00 63.50 61.73 2kmn n PRO 75 Cb 0.49 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 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 -3.09 0.49 0.08 -0.52 -1.05 0.25 -4.94 118.70 109.93 2kmn s GLU 76 Ca 0.77 -0.42 -0.29 0.00 -0.15 0.00 0.00 54.97 54.88 2kmn s GLU 76 Cb -0.38 -0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 32.85 2kmn s GLU 76 CO 0.46 0.10 0.94 -1.17 0.95 0.00 0.00 175.26 176.54 2kmn s LEU 77 N -0.69 4.47 -0.15 1.83 0.20 -1.26 -0.71 118.68 122.37 2kmn s LEU 77 Ca -0.02 1.73 -0.03 0.00 0.69 0.00 0.00 54.13 56.49 2kmn s LEU 77 Cb -0.05 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.08 2kmn s LEU 77 CO 0.00 -0.09 -0.17 0.18 -0.29 0.00 0.00 176.35 175.98 2kmn n LEU 78 N 3.01 2.10 -3.71 -0.68 4.32 0.71 -4.93 117.00 117.82 2kmn n LEU 78 Ca 0.02 0.05 -0.14 0.00 -0.02 0.00 0.00 56.01 55.92 2kmn n LEU 78 Cb 0.50 -0.50 -0.08 0.00 -1.62 0.00 0.00 43.42 41.71 2kmn n LEU 78 CO 0.51 0.55 0.13 -0.70 -1.22 0.00 0.00 177.39 176.66 2kmn s GLU 79 N -2.30 0.69 -0.05 3.23 2.56 -0.84 -4.94 118.70 117.06 2kmn s GLU 79 Ca -0.21 0.13 -0.11 0.00 0.00 0.00 0.00 54.97 54.78 2kmn s GLU 79 Cb 0.07 0.32 0.02 0.00 2.00 0.00 0.00 34.13 36.54 2kmn s GLU 79 CO 0.31 -0.17 0.26 -1.59 -0.56 0.00 0.00 175.26 173.51 2kmn s LYS 80 N -0.83 0.46 -0.01 4.30 -2.85 -1.26 -0.12 119.74 119.43 2kmn s LYS 80 Ca -0.09 0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 54.63 2kmn s LYS 80 Cb -0.04 0.21 0.07 0.00 -2.06 0.00 0.00 37.83 36.01 2kmn s LYS 80 CO 0.04 -0.10 0.67 0.45 0.10 0.00 0.00 175.35 176.51 2kmn s SER 81 N -0.62 -0.64 0.00 0.03 0.15 0.45 -4.98 113.70 108.09 2kmn s SER 81 Ca -0.07 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2kmn s SER 81 Cb -0.04 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2kmn s SER 81 CO 0.02 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2kmn n GLY 82 N 0.68 -2.39 2.70 9.45 0.00 -1.26 0.11 105.19 114.48 2kmn n GLY 82 Ca -0.19 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 2kmn n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kmn s GLU 83 N -2.96 0.37 0.28 1.61 2.56 -1.26 -0.96 118.70 118.34 2kmn s GLU 83 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 54.97 54.93 2kmn s GLU 83 Cb 0.00 -1.59 -0.03 0.00 2.00 0.00 0.00 34.13 34.51 2kmn s GLU 83 CO 0.00 -0.54 0.24 0.95 -0.56 0.00 0.00 175.26 175.35 2kmn s THR 84 N 2.01 4.20 -0.17 -1.70 -4.23 0.16 -4.86 115.64 111.05 2kmn s THR 84 Ca 0.02 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2kmn s THR 84 Cb -0.15 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.41 2kmn s THR 84 CO -0.07 -0.29 0.24 -0.83 -0.54 0.00 0.00 174.62 173.13 2kmn s GLY 85 N -3.90 -0.06 -0.10 3.99 0.00 -1.26 -1.20 107.32 104.78 2kmn s GLY 85 Ca 0.36 0.59 -0.08 0.00 0.00 0.00 0.00 44.72 45.58 2kmn s GLY 85 CO 0.26 2.07 0.25 -0.42 0.00 0.00 0.00 173.10 175.26 2kmn s ILE 86 N 2.37 -0.01 0.24 0.90 -1.09 -1.21 -4.89 121.20 117.52 2kmn s ILE 86 Ca 0.05 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 2kmn s ILE 86 Cb -0.14 -0.36 -0.09 0.00 -1.58 0.00 0.00 42.46 40.29 2kmn s ILE 86 CO -0.10 0.01 1.21 -1.61 -1.23 0.00 0.00 174.94 173.22 2kmn s GLU 87 N 0.38 4.49 0.15 2.79 2.02 -1.26 -2.22 118.70 125.04 2kmn s GLU 87 Ca -0.02 1.96 -0.17 0.00 0.02 0.00 0.00 54.97 56.76 2kmn s GLU 87 Cb -0.04 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 31.05 2kmn s GLU 87 CO -0.02 -0.06 0.46 -1.21 0.02 0.00 0.00 175.26 174.45 2kmn s GLU 88 N -0.84 1.19 0.33 1.61 2.02 -0.27 -4.81 118.70 117.92 2kmn s GLU 88 Ca 0.51 -0.75 0.10 0.00 0.02 0.00 0.00 54.97 54.85 2kmn s GLU 88 Cb -0.35 0.50 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 2kmn s GLU 88 CO 0.41 -0.49 -0.12 0.20 0.02 0.00 0.00 175.26 175.29 2kmn s GLY 89 N -2.83 2.11 -0.02 -1.39 0.00 -1.26 -0.14 107.32 103.79 2kmn s GLY 89 Ca 0.05 -2.03 0.07 0.00 0.00 0.00 0.00 44.72 42.80 2kmn s GLY 89 CO -0.09 -2.01 -0.22 0.00 0.00 0.00 0.00 173.10 170.78 2kmn h LEU 91 N 5.29 0.00 0.10 0.00 -0.00 -1.93 0.84 115.31 119.60 2kmn h LEU 91 Ca -0.45 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.16 2kmn h LEU 91 Cb 1.14 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.80 2kmn h LEU 91 CO 0.48 0.00 -1.23 0.28 -0.00 0.00 0.00 178.44 177.97 2kmn h SER 92 N 0.00 0.49 -3.71 -0.43 0.02 -1.91 -3.45 113.55 104.56 2kmn h SER 92 Ca 0.40 -0.51 -0.49 0.00 -0.84 0.00 0.00 61.79 60.34 2kmn h SER 92 Cb 2.01 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.36 2kmn h SER 92 CO -0.00 1.38 0.11 -0.63 -1.14 0.00 0.00 176.83 176.55 2kmn s ILE 93 N -2.74 4.65 -0.06 3.27 1.01 0.29 -0.93 121.20 126.68 2kmn s ILE 93 Ca -0.05 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.59 2kmn s ILE 93 Cb 0.07 -3.65 -0.17 0.00 0.01 0.00 0.00 42.46 38.71 2kmn s ILE 93 CO 0.89 -0.12 2.53 -0.81 0.00 0.00 0.00 174.94 177.43 2kmn n PRO 94 N -0.19 1.37 -1.05 2.79 -0.04 -1.26 -4.42 135.00 132.20 2kmn n PRO 94 Ca 0.03 -0.70 -0.02 0.00 -0.04 0.00 0.00 63.50 62.77 2kmn n PRO 94 Cb 0.53 -1.86 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.75 -0.35 -2.49 0.54 1.02 -1.26 -4.95 120.64 115.89 2kmn n GLU 95 Ca 0.29 0.32 -0.39 0.00 -0.02 0.00 0.00 57.16 57.36 2kmn n GLU 95 Cb 0.58 -3.77 -0.03 0.00 -0.02 0.00 0.00 31.44 28.20 2kmn n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kmn s GLN 96 N -1.18 3.50 -0.00 3.49 -1.52 -1.26 -4.84 119.66 117.85 2kmn s GLN 96 Ca 0.00 -1.13 -0.25 0.00 -1.95 0.00 0.00 55.36 52.03 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 -2.39 0.75 1.03 -0.25 0.00 0.00 175.29 174.44 2kmn s ARG 97 N 5.15 4.47 0.09 2.91 0.52 -1.25 -4.55 118.95 126.29 2kmn s ARG 97 Ca 0.50 1.01 0.03 0.00 -0.52 0.00 0.00 55.73 56.75 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 -0.06 0.17 -0.08 0.00 0.02 0.00 0.00 175.30 175.35 2kmn s ALA 98 N 0.35 0.94 -0.34 2.13 0.00 0.80 -4.62 121.76 121.03 2kmn s ALA 98 Ca 0.39 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2kmn s ALA 98 Cb -0.19 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2kmn s ALA 98 CO 0.21 -0.11 1.29 -1.17 0.00 0.00 0.00 175.76 175.99 2kmn s LEU 99 N -2.47 3.81 -0.16 0.00 0.20 -1.26 -1.12 118.68 117.68 2kmn s LEU 99 Ca 0.04 1.06 -0.06 0.00 0.69 0.00 0.00 54.13 55.86 2kmn s LEU 99 Cb -0.01 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.17 2kmn s LEU 99 CO -0.02 -1.14 0.05 -0.69 -0.29 0.00 0.00 176.35 174.26 2kmn s VAL 100 N 4.52 4.71 -0.09 1.68 1.01 -0.94 -4.76 120.40 126.52 2kmn s VAL 100 Ca 0.56 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 2kmn s VAL 100 Cb -0.15 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2kmn s VAL 100 CO 0.25 0.50 0.81 -2.16 0.00 0.00 0.00 175.10 174.50 2kmn s PRO 101 N 0.06 4.41 0.17 2.72 0.04 -1.25 -3.29 135.00 137.87 2kmn s PRO 101 Ca 0.05 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 2kmn s PRO 101 Cb -0.12 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2kmn s PRO 101 CO 0.01 -0.12 0.21 -0.98 0.04 0.00 0.00 177.00 176.17 2kmn s ARG 102 N 1.39 1.16 0.69 4.56 3.03 -0.34 -4.96 118.95 124.46 2kmn s ARG 102 Ca 0.41 -1.36 -0.14 0.00 2.03 0.00 0.00 55.73 56.67 2kmn s ARG 102 Cb -0.18 0.33 0.01 0.00 -1.03 0.00 0.00 34.95 34.08 2kmn s ARG 102 CO 0.18 -0.40 1.12 0.00 -1.13 0.00 0.00 175.30 175.07 2kmn s ALA 103 N -4.04 2.38 0.08 7.88 0.00 -1.25 0.37 121.76 127.19 2kmn s ALA 103 Ca 0.25 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 2kmn s ALA 103 Cb 0.05 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.68 2kmn s ALA 103 CO 0.04 -1.44 1.29 1.49 0.00 0.00 0.00 175.76 177.15 2kmn h GLU 104 N -0.19 0.71 -3.79 0.00 4.81 0.27 -3.42 114.58 112.97 2kmn h GLU 104 Ca -0.46 -0.56 -0.23 0.00 -0.13 0.00 0.00 59.36 57.97 2kmn h GLU 104 Cb 1.25 0.11 -0.28 0.00 0.63 0.00 0.00 28.75 30.46 2kmn h GLU 104 CO 0.53 1.17 -0.72 0.15 -0.73 0.00 0.00 179.01 179.41 2kmn s LYS 105 N -3.78 0.05 -0.11 1.92 1.02 0.04 -1.20 119.74 117.68 2kmn s LYS 105 Ca -0.11 -0.05 -0.08 0.00 0.02 0.00 0.00 55.97 55.75 2kmn s LYS 105 Cb 0.08 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.39 2kmn s LYS 105 CO 0.88 0.01 0.27 0.14 -0.92 0.00 0.00 175.35 175.72 2kmn s VAL 106 N -0.08 -0.01 -0.19 3.17 -7.23 0.26 -0.42 120.40 115.90 2kmn s VAL 106 Ca -0.01 0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.15 2kmn s VAL 106 Cb -0.01 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 2kmn s VAL 106 CO -0.00 0.02 0.01 -0.54 -0.31 0.00 0.00 175.10 174.28 2kmn s LYS 107 N 0.49 3.69 0.05 4.82 -0.14 0.83 0.43 119.74 129.91 2kmn s LYS 107 Ca -0.03 -0.49 0.02 0.00 -1.36 0.00 0.00 55.97 54.11 2kmn s LYS 107 Cb -0.04 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2kmn s LYS 107 CO -0.03 0.08 -0.07 0.96 -0.76 0.00 0.00 175.35 175.53 2kmn s ILE 108 N 0.84 0.52 -0.12 2.17 -5.25 0.12 -0.21 121.20 119.28 2kmn s ILE 108 Ca 0.01 -1.18 -0.06 0.00 -0.99 0.00 0.00 60.65 58.44 2kmn s ILE 108 Cb -0.14 -0.72 -0.04 0.00 2.95 0.00 0.00 42.46 44.51 2kmn s ILE 108 CO 0.02 -0.46 0.10 -0.13 -1.79 0.00 0.00 174.94 172.68 2kmn s ARG 109 N -1.87 3.38 0.26 0.37 0.52 0.12 0.13 118.95 121.87 2kmn s ARG 109 Ca -0.08 -0.23 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 2kmn s ARG 109 Cb -0.08 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.33 2kmn s ARG 109 CO -0.00 0.70 0.70 0.00 0.02 0.00 0.00 175.30 176.72 2kmn s ALA 110 N -0.84 -1.27 0.14 2.13 0.00 0.11 0.88 121.76 122.92 2kmn s ALA 110 Ca 0.13 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 51.98 2kmn s ALA 110 Cb -0.12 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2kmn s ALA 110 CO 0.03 -1.01 -0.17 -0.48 0.00 0.00 0.00 175.76 174.13 2kmn s LEU 111 N -2.90 2.72 0.59 0.00 0.05 -0.82 0.16 118.68 118.48 2kmn s LEU 111 Ca 0.10 -0.61 -0.06 0.00 0.05 0.00 0.00 54.13 53.61 2kmn s LEU 111 Cb -0.05 -1.51 0.01 0.00 -2.05 0.00 0.00 46.19 42.58 2kmn s LEU 111 CO 0.04 0.15 0.91 -0.62 -0.55 0.00 0.00 176.35 176.28 2kmn s ASP 112 N -2.37 5.62 0.66 1.48 2.15 -0.98 0.16 116.67 123.40 2kmn s ASP 112 Ca 0.20 0.75 0.27 0.00 0.43 0.00 0.00 52.55 54.20 2kmn s ASP 112 Cb -0.10 -1.75 1.47 0.00 -0.30 0.00 0.00 42.92 42.24 2kmn s ASP 112 CO 0.11 -1.05 1.83 -0.09 -0.17 0.00 0.00 175.17 175.80 2kmn h ARG 113 N -0.18 0.00 0.00 4.34 2.43 -1.93 0.47 114.38 119.51 2kmn h ARG 113 Ca -0.45 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 2kmn h ARG 113 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 2kmn h ARG 113 CO 0.61 0.00 -0.54 -0.44 -1.51 0.00 0.00 179.97 178.09 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 3.32 -1.95 -3.46 116.42 110.53 2kmn h ASP 114 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 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 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 2kmn n GLY 115 N 1.13 1.37 2.83 2.75 0.00 0.16 -5.06 105.19 108.37 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 -0.26 1.03 -0.26 1.61 1.02 -1.25 -4.89 119.74 116.74 2kmn s LYS 116 Ca 0.00 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 54.54 2kmn s LYS 116 Cb 0.00 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2kmn s LYS 116 CO 0.00 -0.87 1.45 -2.14 -0.92 0.00 0.00 175.35 172.87 2kmn s PRO 117 N 1.46 3.87 0.30 -1.68 0.02 -1.26 -2.31 135.00 135.40 2kmn s PRO 117 Ca 0.06 1.46 0.05 0.00 0.02 0.00 0.00 61.00 62.59 2kmn s PRO 117 Cb -0.18 -3.95 -0.06 0.00 0.02 0.00 0.00 34.50 30.33 2kmn s PRO 117 CO -0.17 -1.19 -0.01 -0.59 -0.33 0.00 0.00 177.00 174.72 2kmn s PHE 118 N 4.73 1.98 -0.16 6.54 -0.12 0.43 -4.88 117.98 126.50 2kmn s PHE 118 Ca 0.63 -0.80 -0.05 0.00 -0.05 0.00 0.00 56.93 56.67 2kmn s PHE 118 Cb -0.21 -1.22 -0.03 0.00 -0.63 0.00 0.00 43.02 40.93 2kmn s PHE 118 CO 0.26 0.18 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.40 2kmn s GLU 119 N -3.79 3.76 -0.05 1.99 8.01 -1.26 0.04 118.70 127.39 2kmn s GLU 119 Ca 0.32 -0.46 0.04 0.00 0.01 0.00 0.00 54.97 54.88 2kmn s GLU 119 Cb 0.06 -3.01 0.00 0.00 -4.31 0.00 0.00 34.13 26.88 2kmn s GLU 119 CO 0.13 0.26 -0.16 -0.48 0.01 0.00 0.00 175.26 175.03 2kmn s LEU 120 N 0.33 1.85 -0.23 1.80 0.05 0.12 -4.96 118.68 117.65 2kmn s LEU 120 Ca -0.02 -0.35 -0.14 0.00 0.05 0.00 0.00 54.13 53.68 2kmn s LEU 120 Cb -0.14 -0.94 -0.04 0.00 -2.05 0.00 0.00 46.19 43.02 2kmn s LEU 120 CO 0.02 0.12 0.32 -1.83 -0.55 0.00 0.00 176.35 174.43 2kmn s GLU 121 N 0.22 4.10 -0.07 1.48 -1.05 -1.26 0.14 118.70 122.28 2kmn s GLU 121 Ca -0.08 0.03 0.04 0.00 -0.15 0.00 0.00 54.97 54.81 2kmn s GLU 121 Cb -0.13 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 29.98 2kmn s GLU 121 CO 0.03 -0.07 -0.19 0.00 0.95 0.00 0.00 175.26 175.98 2kmn s ALA 122 N 1.42 2.44 0.23 -0.84 0.00 0.17 -4.94 121.76 120.25 2kmn s ALA 122 Ca 0.15 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2kmn s ALA 122 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 2kmn s ALA 122 CO 0.08 0.45 -0.09 -0.51 0.00 0.00 0.00 175.76 175.69 2kmn s ASP 123 N -0.32 2.50 0.66 0.00 1.01 -1.26 0.90 116.67 120.16 2kmn s ASP 123 Ca 0.02 -1.12 0.00 0.00 0.71 0.00 0.00 52.55 52.16 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 0.02 -0.30 0.00 0.61 0.21 0.00 0.00 175.17 175.72 2kmn n GLY 124 N -0.46 2.38 0.40 0.21 0.00 -0.34 -1.45 105.19 105.93 2kmn n GLY 124 Ca -0.07 -0.29 0.20 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 -0.00 -1.98 0.38 115.31 115.03 2kmn h LEU 125 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2kmn h LEU 125 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2kmn h LEU 125 CO 0.00 0.10 -0.06 0.25 -0.00 0.00 0.00 178.44 178.73 2kmn h LEU 126 N 0.22 -0.14 -1.06 1.67 6.46 -1.62 -2.20 115.31 118.64 2kmn h LEU 126 Ca 0.37 -0.39 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 2kmn h LEU 126 Cb 1.12 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 2kmn h LEU 126 CO -0.08 0.37 0.64 0.00 -0.62 0.00 0.00 178.44 178.75 2kmn h ALA 127 N 0.03 1.33 0.34 1.25 0.00 -0.29 -1.77 119.26 120.14 2kmn h ALA 127 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kmn h ALA 127 Cb 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kmn h ALA 127 CO 0.03 0.61 -0.16 0.82 0.00 0.00 0.00 179.25 180.55 2kmn h ILE 128 N 1.28 0.54 -0.10 0.00 1.08 -0.33 -2.02 117.51 117.96 2kmn h ILE 128 Ca 0.36 -0.69 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2kmn h ILE 128 Cb -0.12 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2kmn h ILE 128 CO -0.08 0.11 -0.02 0.00 -0.69 0.00 0.00 178.15 177.47 2kmn h ILE 130 N 0.01 1.11 -0.50 0.00 2.10 -1.43 -0.56 117.51 118.23 2kmn h ILE 130 Ca 0.05 -0.26 -0.13 0.00 1.08 0.00 0.00 64.86 65.60 2kmn h ILE 130 Cb 0.07 0.28 -0.01 0.00 -1.09 0.00 0.00 36.82 36.06 2kmn h ILE 130 CO -0.10 0.14 -0.18 0.06 -1.08 0.00 0.00 178.15 177.00 2kmn h GLN 131 N 0.77 1.00 -0.37 2.19 3.07 -1.07 -2.30 115.11 118.40 2kmn h GLN 131 Ca 0.23 -0.40 0.04 0.00 0.09 0.00 0.00 58.65 58.61 2kmn h GLN 131 Cb -0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 27.48 27.44 2kmn h GLN 131 CO -0.07 1.08 0.14 1.25 0.09 0.00 0.00 178.83 181.32 2kmn h HIS 132 N 0.87 0.26 -0.89 0.06 2.76 0.12 -2.01 115.15 116.32 2kmn h HIS 132 Ca 0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.75 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.61 2kmn h HIS 132 CO 0.05 0.11 0.50 0.93 -1.30 0.00 0.00 177.93 178.22 2kmn h GLU 133 N 0.31 1.23 -0.11 5.26 4.39 -0.98 0.19 114.58 124.86 2kmn h GLU 133 Ca 0.17 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2kmn h GLU 133 Cb 0.13 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2kmn h GLU 133 CO -0.16 0.88 0.00 0.52 -1.16 0.00 0.00 179.01 179.10 2kmn h MET 134 N 1.24 0.04 -0.32 2.33 2.86 -0.80 0.30 114.93 120.58 2kmn h MET 134 Ca 0.31 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.91 2kmn h MET 134 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2kmn h MET 134 CO -0.05 0.03 0.02 0.38 1.06 0.00 0.00 176.91 178.35 2kmn h ASP 135 N 0.04 0.53 0.00 1.22 2.03 -1.18 -2.32 116.42 116.74 2kmn h ASP 135 Ca 0.05 -0.29 0.02 0.00 -0.73 0.00 0.00 57.03 56.09 2kmn h ASP 135 Cb 0.06 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 38.38 2kmn h ASP 135 CO -0.08 0.69 -0.17 -0.74 -1.03 0.00 0.00 179.24 177.91 2kmn h HIS 136 N 0.36 -0.43 -0.17 4.15 2.76 -0.24 0.28 115.15 121.86 2kmn h HIS 136 Ca 0.09 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 136 Cb 0.40 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2kmn h HIS 136 CO 0.03 -0.24 0.12 1.37 -1.30 0.00 0.00 177.93 177.91 2kmn h LEU 137 N -0.28 0.11 -2.01 0.26 8.10 -0.37 0.47 115.31 121.59 2kmn h LEU 137 Ca 0.05 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.00 2kmn h LEU 137 Cb 0.34 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.51 2kmn h LEU 137 CO -0.16 0.08 0.06 0.55 -4.11 0.00 0.00 178.44 174.85 2kmn n VAL 138 N -4.51 1.08 -3.51 0.15 3.14 -0.76 -1.28 118.33 112.64 2kmn n VAL 138 Ca 0.00 -0.47 -0.26 0.00 -2.96 0.00 0.00 64.34 60.66 2kmn n VAL 138 Cb 0.16 -0.55 0.03 0.00 -1.06 0.00 0.00 33.84 32.43 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 -0.51 2.68 7.55 0.00 0.16 -4.08 105.19 111.13 2kmn n GLY 139 Ca 0.11 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.20 0.50 0.07 1.61 -2.85 0.91 -4.36 119.74 109.42 2kmn s LYS 140 Ca 0.51 -0.53 0.07 0.00 -1.00 0.00 0.00 55.97 55.01 2kmn s LYS 140 Cb -0.24 -1.88 -0.03 0.00 -2.06 0.00 0.00 37.83 33.62 2kmn s LYS 140 CO 0.62 -0.78 -0.18 -0.51 0.10 0.00 0.00 175.35 174.60 2kmn s LEU 141 N 1.89 2.24 0.30 2.77 2.01 -1.26 -2.92 118.68 123.70 2kmn s LEU 141 Ca 0.03 -0.59 -0.01 0.00 0.01 0.00 0.00 54.13 53.58 2kmn s LEU 141 Cb -0.17 -0.75 0.45 0.00 0.01 0.00 0.00 46.19 45.73 2kmn s LEU 141 CO -0.17 0.04 1.88 -0.26 1.01 0.00 0.00 176.35 178.85 2kmn h PHE 142 N 4.46 0.86 -0.26 0.29 -1.00 -1.98 -2.13 116.94 117.18 2kmn h PHE 142 Ca -0.42 -0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.38 2kmn h PHE 142 Cb 1.18 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 2kmn h PHE 142 CO 0.58 0.67 0.32 1.98 -1.61 0.00 0.00 178.31 180.25 2kmn h MET 143 N 0.85 0.00 -0.49 1.51 4.05 -1.96 -2.34 114.93 116.55 2kmn h MET 143 Ca 0.20 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.76 2kmn h MET 143 Cb 0.17 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2kmn h MET 143 CO -0.02 0.00 0.60 0.22 0.23 0.00 0.00 176.91 177.94 2kmn h ASP 144 N 0.00 0.00 -1.07 1.39 1.82 -1.81 -1.48 116.42 115.27 2kmn h ASP 144 Ca 0.13 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 56.31 2kmn h ASP 144 Cb 0.76 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.36 2kmn h ASP 144 CO -0.00 0.00 -0.96 0.00 -1.61 0.00 0.00 179.24 176.67 2kmn n TYR 145 N -3.51 2.24 -3.36 0.28 9.36 -0.88 -5.07 117.16 116.22 2kmn n TYR 145 Ca 0.10 -2.73 -0.38 0.00 3.32 0.00 0.00 57.90 58.20 2kmn n TYR 145 Cb 0.79 -0.24 -0.06 0.00 -0.63 0.00 0.00 39.34 39.20 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 -3.44 4.47 0.00 2.98 2.01 -0.56 -5.14 118.68 119.00 2kmn s LEU 146 Ca 0.38 1.09 0.17 0.00 0.01 0.00 0.00 54.13 55.78 2kmn s LEU 146 Cb 0.41 -2.76 0.99 0.00 0.01 0.00 0.00 46.19 44.84 2kmn s LEU 146 CO -0.06 0.25 1.40 -1.54 1.01 0.00 0.00 176.35 177.41