#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 4.61 0.62 -3.33 1.01 -1.26 -4.59 120.40 117.45 2kmn s VAL 2 Ca 0.00 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 63.56 2kmn s VAL 2 Cb 0.00 -4.14 0.14 0.00 0.00 0.00 0.00 36.38 32.39 2kmn s VAL 2 CO 0.00 0.41 0.79 0.00 0.00 0.00 0.00 175.10 176.30 2kmn n LEU 3 N 2.44 0.00 -4.56 3.92 -0.00 -1.26 -4.97 117.00 112.56 2kmn n LEU 3 Ca -0.03 -0.87 -0.43 0.00 -0.00 0.00 0.00 56.01 54.68 2kmn n LEU 3 Cb 0.50 -0.62 -0.03 0.00 -0.00 0.00 0.00 43.42 43.26 2kmn n LEU 3 CO 0.47 -1.16 0.89 -1.58 -0.00 0.00 0.00 177.39 176.01 2kmn s GLN 4 N -4.74 3.49 -0.07 1.47 0.74 -1.26 -5.01 119.66 114.28 2kmn s GLN 4 Ca 0.46 0.12 -0.20 0.00 0.05 0.00 0.00 55.36 55.78 2kmn s GLN 4 Cb -0.02 -3.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.06 2kmn s GLN 4 CO 0.32 -1.46 0.57 0.08 -0.55 0.00 0.00 175.29 174.25 2kmn s VAL 5 N 4.27 5.07 0.10 1.34 1.01 -1.26 -3.74 120.40 127.18 2kmn s VAL 5 Ca 0.38 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 2kmn s VAL 5 Cb -0.10 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2kmn s VAL 5 CO 0.25 0.33 0.61 -0.76 0.00 0.00 0.00 175.10 175.53 2kmn s LEU 6 N 0.43 4.53 0.03 3.92 1.43 0.68 -4.94 118.68 124.76 2kmn s LEU 6 Ca 0.31 1.33 0.07 0.00 -1.03 0.00 0.00 54.13 54.81 2kmn s LEU 6 Cb -0.17 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2kmn s LEU 6 CO 0.14 0.25 -0.19 -1.00 0.23 0.00 0.00 176.35 175.79 2kmn s HIS 7 N -1.14 2.53 0.28 0.29 3.76 -1.26 -3.99 115.29 115.75 2kmn s HIS 7 Ca 0.31 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.64 2kmn s HIS 7 Cb -0.20 -1.47 -0.11 0.00 1.11 0.00 0.00 32.58 31.91 2kmn s HIS 7 CO 0.20 0.22 1.51 0.42 -0.85 0.00 0.00 174.74 176.24 2kmn s ILE 8 N -0.88 2.36 0.34 0.60 -1.09 0.50 -3.69 121.20 119.35 2kmn s ILE 8 Ca 0.14 0.31 -0.25 0.00 -2.23 0.00 0.00 60.65 58.62 2kmn s ILE 8 Cb -0.10 -3.20 -0.10 0.00 -1.58 0.00 0.00 42.46 37.48 2kmn s ILE 8 CO 0.04 0.05 0.94 -2.16 -1.23 0.00 0.00 174.94 172.58 2kmn s PRO 9 N -0.59 4.50 -0.29 2.79 0.04 -1.26 -4.78 135.00 135.42 2kmn s PRO 9 Ca 0.60 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 2kmn s PRO 9 Cb -0.45 -2.68 0.13 0.00 0.04 0.00 0.00 34.50 31.54 2kmn s PRO 9 CO 0.47 0.22 0.87 0.34 0.04 0.00 0.00 177.00 178.94 2kmn s ASP 10 N -1.73 -0.69 0.17 6.66 -1.08 -1.24 -5.05 116.67 113.70 2kmn s ASP 10 Ca 0.52 1.08 -0.14 0.00 -0.52 0.00 0.00 52.55 53.49 2kmn s ASP 10 Cb -0.17 1.38 0.09 0.00 -1.46 0.00 0.00 42.92 42.76 2kmn s ASP 10 CO 0.22 -0.17 1.79 1.05 0.52 0.00 0.00 175.17 178.58 2kmn h GLU 11 N 6.61 0.48 -0.34 4.34 4.11 -1.95 -1.91 114.58 125.93 2kmn h GLU 11 Ca -0.27 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.23 2kmn h GLU 11 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kmn h GLU 11 CO 0.17 0.32 0.27 0.00 0.07 0.00 0.00 179.01 179.84 2kmn h ARG 12 N 0.50 0.00 0.02 1.06 2.47 -1.94 1.04 114.38 117.54 2kmn h ARG 12 Ca 0.19 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.69 2kmn h ARG 12 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2kmn h ARG 12 CO -0.11 0.00 -0.96 -0.07 0.56 0.00 0.00 179.97 179.38 2kmn h LEU 13 N 0.00 0.39 -1.75 3.04 3.38 -1.52 -2.60 115.31 116.25 2kmn h LEU 13 Ca 0.16 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kmn h LEU 13 Cb 0.70 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kmn h LEU 13 CO -0.00 1.15 0.00 0.54 0.09 0.00 0.00 178.44 180.22 2kmn n ARG 14 N -3.67 2.18 -2.99 1.13 5.12 0.30 -3.38 116.66 115.36 2kmn n ARG 14 Ca -0.06 -1.64 -0.39 0.00 -1.93 0.00 0.00 57.85 53.83 2kmn n ARG 14 Cb 0.86 -1.42 -0.06 0.00 -1.16 0.00 0.00 32.46 30.68 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 -1.47 4.55 -0.87 5.56 2.36 0.34 -4.22 119.74 125.99 2kmn s LYS 15 Ca 0.30 1.14 -0.22 0.00 -2.55 0.00 0.00 55.97 54.64 2kmn s LYS 15 Cb 0.17 -3.27 0.07 0.00 -1.05 0.00 0.00 37.83 33.75 2kmn s LYS 15 CO 0.19 0.54 1.23 0.08 1.55 0.00 0.00 175.35 178.94 2kmn s VAL 16 N -1.02 4.19 0.54 4.02 1.01 -1.25 -1.28 120.40 126.62 2kmn s VAL 16 Ca 0.36 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 2kmn s VAL 16 Cb -0.23 -4.88 -0.07 0.00 0.00 0.00 0.00 36.38 31.20 2kmn s VAL 16 CO 0.26 -1.71 0.94 0.00 0.00 0.00 0.00 175.10 174.59 2kmn n ALA 17 N 8.09 0.08 -2.82 5.51 0.00 -0.85 -4.93 120.51 125.59 2kmn n ALA 17 Ca 0.17 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 2kmn n ALA 17 Cb 0.49 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 2kmn n ALA 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kmn s LYS 18 N -2.46 3.85 -0.33 0.00 2.20 -1.26 -4.36 119.74 117.38 2kmn s LYS 18 Ca 0.71 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 2kmn s LYS 18 Cb -0.46 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 2kmn s LYS 18 CO 0.51 0.33 1.22 -1.25 -0.36 0.00 0.00 175.35 175.80 2kmn s PRO 19 N 0.19 3.92 0.42 4.03 0.04 -1.26 -1.78 135.00 140.57 2kmn s PRO 19 Ca 0.04 1.10 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 2kmn s PRO 19 Cb -0.12 -3.85 -0.08 0.00 0.04 0.00 0.00 34.50 30.49 2kmn s PRO 19 CO 0.01 -1.10 1.19 0.08 0.04 0.00 0.00 177.00 177.21 2kmn s VAL 20 N 4.21 3.04 0.36 -0.36 1.01 -1.26 -4.93 120.40 122.47 2kmn s VAL 20 Ca 0.52 0.85 0.27 0.00 0.00 0.00 0.00 61.98 63.62 2kmn s VAL 20 Cb -0.14 -3.47 0.28 0.00 0.00 0.00 0.00 36.38 33.05 2kmn s VAL 20 CO 0.22 0.06 2.02 -0.33 0.00 0.00 0.00 175.10 177.07 2kmn h GLU 21 N 2.45 0.00 -1.95 2.72 5.08 -2.03 -3.44 114.58 117.41 2kmn h GLU 21 Ca -0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 2kmn h GLU 21 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 2kmn h GLU 21 CO 0.62 0.14 0.18 -2.00 -1.00 0.00 0.00 179.01 176.95 2kmn s GLU 22 N -4.09 0.82 -0.47 2.33 2.12 -1.26 -5.12 118.70 113.02 2kmn s GLU 22 Ca -0.02 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 55.90 2kmn s GLU 22 Cb 0.13 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.94 2kmn s GLU 22 CO 0.60 -0.12 1.19 0.08 -0.54 0.00 0.00 175.26 176.47 2kmn s VAL 23 N 0.21 4.14 0.47 3.70 1.01 -1.26 -5.02 120.40 123.66 2kmn s VAL 23 Ca -0.01 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2kmn s VAL 23 Cb -0.05 -4.55 -0.00 0.00 0.00 0.00 0.00 36.38 31.78 2kmn s VAL 23 CO 0.01 -0.99 0.71 0.20 0.00 0.00 0.00 175.10 175.03 2kmn s ASN 24 N 2.74 5.79 0.51 3.32 0.01 -1.26 -4.87 114.94 121.18 2kmn s ASN 24 Ca 0.50 0.36 0.21 0.00 -0.71 0.00 0.00 52.86 53.21 2kmn s ASN 24 Cb -0.08 -1.56 1.30 0.00 0.41 0.00 0.00 41.25 41.32 2kmn s ASN 24 CO 0.32 -0.76 2.03 0.00 -1.51 0.00 0.00 177.10 177.17 2kmn h ALA 25 N 0.30 2.29 -0.27 0.60 0.00 -1.99 0.38 119.26 120.58 2kmn h ALA 25 Ca -0.46 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2kmn h ALA 25 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kmn h ALA 25 CO 0.58 -0.41 -0.57 0.93 0.00 0.00 0.00 179.25 179.78 2kmn h GLU 26 N 0.08 0.85 -0.22 0.00 5.08 -1.99 -2.04 114.58 116.33 2kmn h GLU 26 Ca 0.20 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2kmn h GLU 26 Cb 0.69 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kmn h GLU 26 CO -0.02 1.18 0.09 0.82 -1.00 0.00 0.00 179.01 180.08 2kmn h ILE 27 N 0.64 1.17 -0.95 3.13 2.04 -0.78 -2.08 117.51 120.69 2kmn h ILE 27 Ca 0.01 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.41 2kmn h ILE 27 Cb 1.18 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 2kmn h ILE 27 CO 0.13 0.17 0.62 1.56 0.00 0.00 0.00 178.15 180.62 2kmn h GLN 28 N 0.20 1.10 -0.98 2.37 4.20 -0.55 -0.28 115.11 121.17 2kmn h GLN 28 Ca 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kmn h GLN 28 Cb 0.18 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 2kmn h GLN 28 CO -0.01 0.73 0.63 0.00 -0.67 0.00 0.00 178.83 179.51 2kmn h ARG 29 N 1.13 1.30 -0.15 1.46 3.08 -1.02 0.42 114.38 120.60 2kmn h ARG 29 Ca 0.40 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2kmn h ARG 29 Cb 0.13 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2kmn h ARG 29 CO -0.14 0.88 0.10 0.82 -1.07 0.00 0.00 179.97 180.55 2kmn h ILE 30 N 1.33 1.04 -0.35 2.04 2.04 -0.38 -2.05 117.51 121.19 2kmn h ILE 30 Ca 0.36 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 66.04 2kmn h ILE 30 Cb -0.12 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2kmn h ILE 30 CO -0.07 0.04 -0.18 0.58 0.00 0.00 0.00 178.15 178.51 2kmn h VAL 31 N 0.20 1.29 -0.85 1.67 2.07 -0.98 -0.41 116.25 119.24 2kmn h VAL 31 Ca 0.05 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.36 2kmn h VAL 31 Cb -0.02 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 2kmn h VAL 31 CO -0.01 0.43 0.50 0.44 0.02 0.00 0.00 177.57 178.94 2kmn h ASP 32 N 0.52 0.72 0.74 0.57 5.19 -0.82 0.17 116.42 123.50 2kmn h ASP 32 Ca 0.08 0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.37 2kmn h ASP 32 Cb 0.73 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 2kmn h ASP 32 CO 0.05 0.41 -0.77 0.44 -3.12 0.00 0.00 179.24 176.25 2kmn h ASP 33 N 0.83 0.03 -0.31 6.45 5.19 -1.31 -2.60 116.42 124.70 2kmn h ASP 33 Ca 0.41 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 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 -0.25 0.78 0.19 0.24 -3.12 0.00 0.00 179.24 177.09 2kmn h MET 34 N 0.01 0.42 -0.23 3.56 2.86 0.11 0.80 114.93 122.45 2kmn h MET 34 Ca -0.01 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kmn h MET 34 Cb 1.36 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2kmn h MET 34 CO 0.10 0.30 -0.19 0.27 1.06 0.00 0.00 176.91 178.45 2kmn h PHE 35 N 0.41 0.64 -0.89 -0.22 -5.15 -1.34 0.10 116.94 110.49 2kmn h PHE 35 Ca 0.11 -0.18 0.17 0.00 -0.20 0.00 0.00 57.97 57.87 2kmn h PHE 35 Cb -0.01 -0.14 -0.10 0.00 0.22 0.00 0.00 35.95 35.92 2kmn h PHE 35 CO -0.05 0.85 0.46 0.93 -2.00 0.00 0.00 178.31 178.51 2kmn h GLU 36 N 0.24 0.60 0.43 6.09 5.08 -1.04 0.20 114.58 126.18 2kmn h GLU 36 Ca 0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kmn h GLU 36 Cb 0.73 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kmn h GLU 36 CO 0.05 0.39 -0.21 1.15 -1.00 0.00 0.00 179.01 179.40 2kmn h THR 37 N 0.61 0.00 -0.93 1.13 2.02 0.85 -2.25 112.91 114.35 2kmn h THR 37 Ca 0.50 -0.37 0.26 0.00 0.77 0.00 0.00 66.41 67.57 2kmn h THR 37 Cb 0.76 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.03 2kmn h THR 37 CO -0.39 0.00 0.39 -0.03 0.37 0.00 0.00 175.52 175.86 2kmn h MET 38 N -0.95 0.29 -0.35 6.66 -1.53 0.12 1.16 114.93 120.34 2kmn h MET 38 Ca -0.06 -0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.05 2kmn h MET 38 Cb 0.44 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.42 2kmn h MET 38 CO 0.10 0.19 -0.29 1.88 0.14 0.00 0.00 176.91 178.93 2kmn h TYR 39 N 0.30 0.96 0.00 1.39 -1.99 -0.73 0.56 116.97 117.47 2kmn h TYR 39 Ca 0.61 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 2kmn h TYR 39 Cb 1.28 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 39.80 2kmn h TYR 39 CO -0.15 1.05 -0.03 0.00 -0.00 0.00 0.00 178.16 179.03 2kmn h ALA 40 N 0.75 1.81 0.00 3.88 0.00 0.16 1.04 119.26 126.91 2kmn h ALA 40 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kmn h ALA 40 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kmn h ALA 40 CO 0.08 0.04 -0.22 -1.91 0.00 0.00 0.00 179.25 177.24 2kmn n GLU 41 N -4.31 0.01 -2.06 0.00 4.07 0.22 -4.89 120.64 113.68 2kmn n GLU 41 Ca -0.03 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.88 2kmn n GLU 41 Cb 0.12 -1.51 -0.04 0.00 -0.06 0.00 0.00 31.44 29.96 2kmn n GLU 41 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kmn n GLU 42 N -1.52 -1.47 -2.81 5.31 1.02 0.36 -4.96 120.64 116.58 2kmn n GLU 42 Ca 0.06 1.03 -0.38 0.00 -0.02 0.00 0.00 57.16 57.85 2kmn n GLU 42 Cb 0.34 -5.51 -0.06 0.00 -0.02 0.00 0.00 31.44 26.19 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 -2.39 2.93 0.00 0.62 0.00 0.18 -4.95 107.32 103.71 2kmn s GLY 43 Ca 0.00 0.53 0.29 0.00 0.00 0.00 0.00 44.72 45.54 2kmn s GLY 43 CO 0.00 1.02 2.04 1.39 0.00 0.00 0.00 173.10 177.56 2kmn n ILE 44 N 1.04 0.04 -3.65 0.90 5.41 -1.26 -4.42 119.36 117.41 2kmn n ILE 44 Ca -0.01 0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.76 2kmn n ILE 44 Cb 0.49 -0.54 -0.06 0.00 -0.71 0.00 0.00 39.64 38.81 2kmn n ILE 44 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2kmn s GLY 45 N -2.25 0.59 -0.06 7.39 0.00 -1.26 0.26 107.32 111.99 2kmn s GLY 45 Ca 0.37 3.79 0.04 0.00 0.00 0.00 0.00 44.72 48.92 2kmn s GLY 45 CO 0.38 2.51 -0.19 -2.27 0.00 0.00 0.00 173.10 173.53 2kmn s LEU 46 N 0.69 1.93 -0.20 0.66 2.96 -0.03 -4.92 118.68 119.77 2kmn s LEU 46 Ca -0.03 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 2kmn s LEU 46 Cb -0.03 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 2kmn s LEU 46 CO -0.12 0.16 0.13 0.00 -1.32 0.00 0.00 176.35 175.20 2kmn s ALA 47 N 0.11 3.65 0.07 5.97 0.00 -1.26 -1.38 121.76 128.92 2kmn s ALA 47 Ca -0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2kmn s ALA 47 Cb -0.13 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 20.88 2kmn s ALA 47 CO 0.03 0.11 0.55 0.00 0.00 0.00 0.00 175.76 176.45 2kmn n ALA 48 N 3.63 -0.09 -0.18 0.00 0.00 0.17 0.11 120.51 124.14 2kmn n ALA 48 Ca -0.16 0.34 0.18 0.00 0.00 0.00 0.00 53.44 53.80 2kmn n ALA 48 Cb 0.52 -0.13 0.54 0.00 0.00 0.00 0.00 19.45 20.38 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 0.73 -0.56 0.00 1.35 -1.74 0.82 112.91 113.51 2kmn h THR 49 Ca 0.10 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 2kmn h THR 49 Cb 0.19 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 66.94 2kmn h THR 49 CO -0.35 0.06 0.18 1.56 -0.25 0.00 0.00 175.52 176.73 2kmn h GLN 50 N 0.35 0.86 -0.63 4.72 4.20 0.44 -2.13 115.11 122.93 2kmn h GLN 50 Ca 0.40 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2kmn h GLN 50 Cb 1.04 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.69 2kmn h GLN 50 CO -0.12 0.78 0.00 1.33 -0.67 0.00 0.00 178.83 180.15 2kmn n VAL 51 N -4.45 0.73 -2.29 -0.54 0.24 0.14 -0.23 118.33 111.93 2kmn n VAL 51 Ca 0.03 -0.43 -0.03 0.00 -2.04 0.00 0.00 64.34 61.86 2kmn n VAL 51 Cb 0.20 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.23 -2.01 -3.94 -1.34 2.03 -0.80 -4.42 116.55 106.29 2kmn n ASP 52 Ca 0.09 -0.03 -0.30 0.00 0.52 0.00 0.00 54.79 55.07 2kmn n ASP 52 Cb 0.44 -1.08 -0.15 0.00 -0.72 0.00 0.00 41.12 39.61 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 -2.50 1.57 -1.24 5.18 -5.25 -0.39 -4.97 121.20 113.59 2kmn s ILE 53 Ca 0.03 -1.30 -0.11 0.00 -0.99 0.00 0.00 60.65 58.28 2kmn s ILE 53 Cb -0.01 -1.85 -0.06 0.00 2.95 0.00 0.00 42.46 43.48 2kmn s ILE 53 CO 0.04 -0.14 2.40 0.00 -1.79 0.00 0.00 174.94 175.44 2kmn n HIS 54 N 4.65 2.20 -3.69 1.37 1.44 -1.26 -2.73 115.22 117.19 2kmn n HIS 54 Ca -0.11 -2.51 -0.11 0.00 -2.01 0.00 0.00 57.72 52.98 2kmn n HIS 54 Cb 0.44 -2.12 -0.09 0.00 0.12 0.00 0.00 29.99 28.33 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 3.19 0.52 -0.56 -1.40 -0.21 -1.26 -4.05 119.66 115.89 2kmn s GLN 55 Ca 0.54 0.83 -0.26 0.00 0.02 0.00 0.00 55.36 56.49 2kmn s GLN 55 Cb 0.14 0.13 -0.25 0.00 1.00 0.00 0.00 33.01 34.03 2kmn s GLN 55 CO -0.03 -0.12 1.82 0.54 -2.12 0.00 0.00 175.29 175.38 2kmn n ARG 56 N 3.69 0.77 -4.40 2.91 1.74 -0.73 -4.51 116.66 116.13 2kmn n ARG 56 Ca -0.19 -1.58 -0.34 0.00 -0.77 0.00 0.00 57.85 54.98 2kmn n ARG 56 Cb 0.56 -2.97 -0.15 0.00 -1.02 0.00 0.00 32.46 28.88 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 7.96 2.91 0.05 0.55 -1.09 -1.26 0.55 121.20 130.87 2kmn s ILE 57 Ca 0.66 -0.68 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 2kmn s ILE 57 Cb 0.11 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.71 2kmn s ILE 57 CO 0.22 0.50 -0.13 0.27 -1.23 0.00 0.00 174.94 174.57 2kmn s ILE 58 N 0.89 0.99 -0.02 2.92 -5.25 -0.00 0.45 121.20 121.17 2kmn s ILE 58 Ca -0.03 -1.06 0.04 0.00 -0.99 0.00 0.00 60.65 58.61 2kmn s ILE 58 Cb -0.15 -0.93 -0.01 0.00 2.95 0.00 0.00 42.46 44.32 2kmn s ILE 58 CO -0.00 -0.11 -0.14 0.68 -1.79 0.00 0.00 174.94 173.57 2kmn s VAL 59 N -1.01 1.14 0.01 8.37 -7.23 -0.48 -0.26 120.40 120.94 2kmn s VAL 59 Ca -0.01 -0.59 0.07 0.00 -1.81 0.00 0.00 61.98 59.63 2kmn s VAL 59 Cb -0.08 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 2kmn s VAL 59 CO 0.01 0.33 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.30 2kmn s ILE 60 N -0.15 2.63 -0.13 -0.62 1.01 0.28 -0.85 121.20 123.36 2kmn s ILE 60 Ca 0.02 -1.09 0.15 0.00 0.00 0.00 0.00 60.65 59.72 2kmn s ILE 60 Cb -0.07 -2.05 0.34 0.00 0.01 0.00 0.00 42.46 40.69 2kmn s ILE 60 CO 0.00 0.44 1.17 -0.67 0.00 0.00 0.00 174.94 175.88 2kmn n ASP 61 N 1.91 1.64 -4.57 3.58 -0.08 0.73 0.98 116.55 120.74 2kmn n ASP 61 Ca -0.16 -3.19 -0.40 0.00 -1.51 0.00 0.00 54.79 49.52 2kmn n ASP 61 Cb 0.52 -0.43 -0.09 0.00 2.34 0.00 0.00 41.12 43.46 2kmn n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kmn s VAL 62 N -2.34 5.12 -0.40 5.18 1.01 -1.01 -4.72 120.40 123.24 2kmn s VAL 62 Ca 0.32 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 2kmn s VAL 62 Cb 0.31 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.72 2kmn s VAL 62 CO -0.05 -0.06 1.18 -1.20 0.00 0.00 0.00 175.10 174.98 2kmn n SER 63 N 5.47 -1.23 0.30 3.32 7.64 -1.26 -4.70 113.62 123.16 2kmn n SER 63 Ca -0.08 -0.67 0.19 0.00 1.01 0.00 0.00 58.87 59.32 2kmn n SER 63 Cb 0.50 -0.40 1.02 0.00 -1.01 0.00 0.00 64.21 64.31 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 7.30 0.00 0.00 1.43 4.81 -1.92 -3.43 114.58 122.76 2kmn h GLU 64 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kmn h GLU 64 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2kmn h GLU 64 CO 0.97 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.54 2kmn n ASN 65 N -3.34 0.00 0.00 1.04 2.85 -1.26 -5.04 115.26 109.51 2kmn n ASN 65 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2kmn n ASN 65 Cb 0.18 0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.24 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 -1.00 0.00 -3.70 1.20 1.74 -1.26 -5.03 116.66 108.60 2kmn n ARG 66 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2kmn n ARG 66 Cb 0.00 -0.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.93 2kmn n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kmn s ASP 67 N -4.97 6.19 -0.04 0.55 1.11 -1.26 -4.98 116.67 113.27 2kmn s ASP 67 Ca 0.00 0.20 -0.26 0.00 0.18 0.00 0.00 52.55 52.67 2kmn s ASP 67 Cb 0.00 -2.10 -0.03 0.00 1.07 0.00 0.00 42.92 41.86 2kmn s ASP 67 CO 0.00 0.14 0.80 -1.61 1.18 0.00 0.00 175.17 175.69 2kmn s GLU 68 N 0.59 4.48 0.00 8.23 2.02 -1.26 -4.35 118.70 128.41 2kmn s GLU 68 Ca 0.08 1.08 0.00 0.00 0.02 0.00 0.00 54.97 56.15 2kmn s GLU 68 Cb -0.12 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2kmn s GLU 68 CO 0.00 0.03 0.00 -2.13 0.02 0.00 0.00 175.26 173.18 2kmn n ARG 69 N 3.81 0.00 -3.82 1.61 0.63 -1.26 -5.02 116.66 112.61 2kmn n ARG 69 Ca 0.01 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.59 2kmn n ARG 69 Cb 0.51 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.34 2kmn n ARG 69 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kmn s LEU 70 N 0.00 4.18 -0.04 6.15 1.43 0.27 -4.99 118.68 125.68 2kmn s LEU 70 Ca 0.00 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2kmn s LEU 70 Cb 0.00 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2kmn s LEU 70 CO 0.00 0.23 -0.05 0.54 0.23 0.00 0.00 176.35 177.31 2kmn s VAL 71 N 0.03 0.54 -0.02 -1.59 0.11 -1.26 1.00 120.40 119.20 2kmn s VAL 71 Ca 0.09 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 2kmn s VAL 71 Cb -0.11 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2kmn s VAL 71 CO -0.00 0.22 0.04 -0.76 -3.33 0.00 0.00 175.10 171.27 2kmn s LEU 72 N 0.86 1.81 -0.07 2.54 2.01 0.64 -4.33 118.68 122.15 2kmn s LEU 72 Ca -0.12 0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.15 2kmn s LEU 72 Cb -0.14 0.13 -0.01 0.00 0.01 0.00 0.00 46.19 46.17 2kmn s LEU 72 CO 0.00 -0.02 -0.23 -0.63 1.01 0.00 0.00 176.35 176.49 2kmn s ILE 73 N 0.07 2.26 -1.41 -0.59 1.09 0.41 -0.82 121.20 122.21 2kmn s ILE 73 Ca -0.00 -0.99 -0.07 0.00 -1.10 0.00 0.00 60.65 58.48 2kmn s ILE 73 Cb -0.01 -1.84 0.04 0.00 -1.06 0.00 0.00 42.46 39.59 2kmn s ILE 73 CO -0.00 0.57 0.56 0.59 -0.10 0.00 0.00 174.94 176.56 2kmn n ASN 74 N 2.97 -4.80 -4.63 3.58 5.03 0.19 -1.98 115.26 115.62 2kmn n ASN 74 Ca -0.18 -0.36 -0.37 0.00 0.87 0.00 0.00 54.58 54.54 2kmn n ASN 74 Cb 0.52 -3.91 0.06 0.00 -1.02 0.00 0.00 39.78 35.43 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 -3.90 0.87 -4.08 3.52 -0.02 -1.25 -4.78 135.00 125.36 2kmn n PRO 75 Ca -0.05 0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.63 2kmn n PRO 75 Cb 0.57 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 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 -2.90 0.40 0.12 -0.52 -1.05 0.19 -4.93 118.70 110.02 2kmn s GLU 76 Ca 0.77 -0.40 -0.28 0.00 -0.15 0.00 0.00 54.97 54.92 2kmn s GLU 76 Cb -0.40 -0.28 -0.07 0.00 -0.44 0.00 0.00 34.13 32.94 2kmn s GLU 76 CO 0.46 0.07 0.88 -1.17 0.95 0.00 0.00 175.26 176.44 2kmn s LEU 77 N -0.71 4.53 -0.04 1.83 0.20 -1.26 -0.43 118.68 122.79 2kmn s LEU 77 Ca -0.04 1.71 0.01 0.00 0.69 0.00 0.00 54.13 56.50 2kmn s LEU 77 Cb -0.05 -3.46 -0.03 0.00 -0.43 0.00 0.00 46.19 42.22 2kmn s LEU 77 CO -0.00 0.03 -0.03 0.18 -0.29 0.00 0.00 176.35 176.24 2kmn n LEU 78 N 2.40 2.34 -3.65 -0.68 4.32 0.65 -4.92 117.00 117.46 2kmn n LEU 78 Ca -0.01 -0.02 -0.15 0.00 -0.02 0.00 0.00 56.01 55.81 2kmn n LEU 78 Cb 0.49 -0.10 -0.08 0.00 -1.62 0.00 0.00 43.42 42.11 2kmn n LEU 78 CO 0.49 0.47 0.25 -0.70 -1.22 0.00 0.00 177.39 176.68 2kmn s GLU 79 N -2.09 0.81 -0.04 3.23 2.56 -0.68 -4.93 118.70 117.57 2kmn s GLU 79 Ca -0.05 0.28 -0.12 0.00 0.00 0.00 0.00 54.97 55.08 2kmn s GLU 79 Cb 0.01 0.38 0.02 0.00 2.00 0.00 0.00 34.13 36.54 2kmn s GLU 79 CO 0.11 -0.21 0.28 -1.59 -0.56 0.00 0.00 175.26 173.29 2kmn s LYS 80 N -0.77 0.55 -0.16 4.30 -2.85 -1.26 0.27 119.74 119.83 2kmn s LYS 80 Ca -0.08 -0.07 -0.28 0.00 -1.00 0.00 0.00 55.97 54.53 2kmn s LYS 80 Cb -0.03 0.25 0.07 0.00 -2.06 0.00 0.00 37.83 36.06 2kmn s LYS 80 CO 0.05 -0.13 0.72 -1.12 0.10 0.00 0.00 175.35 174.97 2kmn s SER 81 N -0.95 -0.68 0.00 0.03 0.01 0.12 -4.97 113.70 107.26 2kmn s SER 81 Ca -0.10 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2kmn s SER 81 Cb -0.05 0.94 0.00 0.00 0.21 0.00 0.00 66.02 67.12 2kmn s SER 81 CO 0.03 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2kmn n GLY 82 N 1.71 -1.17 2.87 3.44 0.00 -1.26 0.11 105.19 110.89 2kmn n GLY 82 Ca -0.16 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 2kmn n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kmn s GLU 83 N -2.02 0.21 0.24 1.61 2.02 -1.26 -1.98 118.70 117.52 2kmn s GLU 83 Ca 0.00 0.46 0.06 0.00 0.02 0.00 0.00 54.97 55.51 2kmn s GLU 83 Cb 0.00 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.54 2kmn s GLU 83 CO 0.00 -0.52 0.30 0.95 0.02 0.00 0.00 175.26 176.01 2kmn s THR 84 N 2.40 4.99 -0.27 3.63 -4.23 0.20 -4.86 115.64 117.51 2kmn s THR 84 Ca 0.06 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 2kmn s THR 84 Cb -0.14 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.08 2kmn s THR 84 CO -0.12 -0.33 0.10 -0.83 -0.54 0.00 0.00 174.62 172.91 2kmn s GLY 85 N -3.92 0.66 -0.08 3.99 0.00 -1.26 -2.17 107.32 104.54 2kmn s GLY 85 Ca 0.34 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.90 2kmn s GLY 85 CO 0.28 1.82 0.20 -0.42 0.00 0.00 0.00 173.10 174.98 2kmn s ILE 86 N 1.94 -0.01 0.40 0.90 -1.09 -1.25 -4.91 121.20 117.18 2kmn s ILE 86 Ca 0.07 0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 58.29 2kmn s ILE 86 Cb -0.16 -0.30 -0.08 0.00 -1.58 0.00 0.00 42.46 40.33 2kmn s ILE 86 CO -0.26 0.02 1.15 -1.61 -1.23 0.00 0.00 174.94 173.00 2kmn s GLU 87 N 0.45 4.07 0.17 2.79 2.02 -1.26 -2.19 118.70 124.75 2kmn s GLU 87 Ca -0.03 1.78 -0.20 0.00 0.02 0.00 0.00 54.97 56.54 2kmn s GLU 87 Cb -0.04 -2.66 0.05 0.00 0.10 0.00 0.00 34.13 31.58 2kmn s GLU 87 CO -0.02 -0.29 0.56 -1.21 0.02 0.00 0.00 175.26 174.33 2kmn s GLU 88 N -2.32 1.32 0.25 1.61 2.02 -0.17 -4.82 118.70 116.59 2kmn s GLU 88 Ca 0.57 -0.65 0.12 0.00 0.02 0.00 0.00 54.97 55.03 2kmn s GLU 88 Cb -0.29 0.56 -0.05 0.00 0.10 0.00 0.00 34.13 34.45 2kmn s GLU 88 CO 0.37 -0.57 -0.21 0.20 0.02 0.00 0.00 175.26 175.06 2kmn s GLY 89 N -2.80 1.83 -0.08 -1.39 0.00 -1.26 -0.12 107.32 103.49 2kmn s GLY 89 Ca 0.04 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 42.97 2kmn s GLY 89 CO -0.09 -1.87 -0.10 0.00 0.00 0.00 0.00 173.10 171.05 2kmn h LEU 91 N 5.66 0.00 0.08 0.00 -0.00 -1.93 0.83 115.31 119.96 2kmn h LEU 91 Ca -0.42 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.17 2kmn h LEU 91 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2kmn h LEU 91 CO 0.53 0.00 -1.46 0.28 -0.00 0.00 0.00 178.44 177.80 2kmn h SER 92 N 0.00 0.27 -3.70 -0.43 0.02 -1.89 -3.45 113.55 104.38 2kmn h SER 92 Ca 0.17 -0.38 -0.50 0.00 -0.84 0.00 0.00 61.79 60.24 2kmn h SER 92 Cb 1.49 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 2kmn h SER 92 CO -0.00 1.32 0.11 -0.63 -1.14 0.00 0.00 176.83 176.48 2kmn s ILE 93 N -2.63 4.65 0.00 3.27 1.01 0.29 -0.37 121.20 127.41 2kmn s ILE 93 Ca -0.07 1.03 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 2kmn s ILE 93 Cb 0.07 -3.66 -0.15 0.00 0.01 0.00 0.00 42.46 38.73 2kmn s ILE 93 CO 0.84 -0.11 2.36 -0.81 0.00 0.00 0.00 174.94 177.23 2kmn n PRO 94 N -0.15 1.21 -1.02 2.79 -0.04 -1.26 -4.43 135.00 132.10 2kmn n PRO 94 Ca 0.02 -0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 62.92 2kmn n PRO 94 Cb 0.53 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.52 -0.15 -2.50 0.54 2.13 -1.26 -4.96 120.64 116.95 2kmn n GLU 95 Ca 0.24 0.27 -0.40 0.00 0.66 0.00 0.00 57.16 57.93 2kmn n GLU 95 Cb 0.56 -3.60 -0.03 0.00 0.27 0.00 0.00 31.44 28.64 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 -1.04 3.54 0.01 5.31 -1.52 -1.26 -4.86 119.66 119.83 2kmn s GLN 96 Ca 0.00 -1.22 -0.25 0.00 -1.95 0.00 0.00 55.36 51.94 2kmn s GLN 96 Cb 0.00 -5.36 -0.05 0.00 -0.22 0.00 0.00 33.01 27.38 2kmn s GLN 96 CO 0.00 -2.39 0.75 1.03 -0.25 0.00 0.00 175.29 174.43 2kmn s ARG 97 N 5.07 4.47 0.07 2.91 0.52 -1.25 -4.54 118.95 126.19 2kmn s ARG 97 Ca 0.51 1.01 0.03 0.00 -0.52 0.00 0.00 55.73 56.76 2kmn s ARG 97 Cb 0.00 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2kmn s ARG 97 CO -0.05 0.21 -0.09 0.00 0.02 0.00 0.00 175.30 175.39 2kmn s ALA 98 N 0.23 0.88 0.19 2.13 0.00 0.83 -4.62 121.76 121.41 2kmn s ALA 98 Ca 0.39 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2kmn s ALA 98 Cb -0.20 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 2kmn s ALA 98 CO 0.22 -0.04 1.11 -1.17 0.00 0.00 0.00 175.76 175.87 2kmn s LEU 99 N -2.13 4.50 -0.04 0.00 0.20 -1.26 -1.00 118.68 118.94 2kmn s LEU 99 Ca -0.00 2.13 0.03 0.00 0.69 0.00 0.00 54.13 56.97 2kmn s LEU 99 Cb -0.05 -3.61 0.01 0.00 -0.43 0.00 0.00 46.19 42.11 2kmn s LEU 99 CO -0.00 -0.22 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.03 2kmn s VAL 100 N -0.35 0.99 -0.14 1.68 1.01 -0.93 -4.85 120.40 117.81 2kmn s VAL 100 Ca 0.49 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 2kmn s VAL 100 Cb -0.30 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2kmn s VAL 100 CO 0.36 0.31 0.96 -2.16 0.00 0.00 0.00 175.10 174.57 2kmn s PRO 101 N 0.42 4.36 0.16 2.72 0.05 -1.26 -3.84 135.00 137.61 2kmn s PRO 101 Ca -0.08 1.28 -0.03 0.00 0.05 0.00 0.00 61.00 62.21 2kmn s PRO 101 Cb -0.12 -3.57 -0.03 0.00 0.05 0.00 0.00 34.50 30.83 2kmn s PRO 101 CO 0.02 -0.37 0.14 -0.98 0.05 0.00 0.00 177.00 175.86 2kmn s ARG 102 N 2.23 1.05 0.70 4.56 3.03 -0.92 -4.96 118.95 124.65 2kmn s ARG 102 Ca 0.45 -1.41 -0.14 0.00 2.03 0.00 0.00 55.73 56.66 2kmn s ARG 102 Cb -0.17 0.29 0.02 0.00 -1.03 0.00 0.00 34.95 34.06 2kmn s ARG 102 CO 0.14 -0.34 1.12 0.00 -1.13 0.00 0.00 175.30 175.09 2kmn s ALA 103 N -4.05 2.35 0.04 7.88 0.00 -1.24 0.61 121.76 127.36 2kmn s ALA 103 Ca 0.25 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 2kmn s ALA 103 Cb 0.06 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.68 2kmn s ALA 103 CO 0.04 -1.50 1.25 1.49 0.00 0.00 0.00 175.76 177.03 2kmn h GLU 104 N -0.33 0.50 -3.77 0.00 4.81 0.15 -3.41 114.58 112.53 2kmn h GLU 104 Ca -0.46 -0.38 -0.26 0.00 -0.13 0.00 0.00 59.36 58.13 2kmn h GLU 104 Cb 1.25 0.07 -0.29 0.00 0.63 0.00 0.00 28.75 30.41 2kmn h GLU 104 CO 0.53 1.01 -0.73 0.15 -0.73 0.00 0.00 179.01 179.23 2kmn s LYS 105 N -3.78 0.06 -0.00 1.92 1.02 -0.14 -0.99 119.74 117.83 2kmn s LYS 105 Ca -0.13 0.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.87 2kmn s LYS 105 Cb 0.06 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 2kmn s LYS 105 CO 0.81 -0.02 0.01 0.14 -0.92 0.00 0.00 175.35 175.38 2kmn s VAL 106 N 0.17 -0.01 -0.20 3.17 -7.23 0.38 -0.70 120.40 115.98 2kmn s VAL 106 Ca -0.01 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.13 2kmn s VAL 106 Cb -0.03 -0.02 -0.03 0.00 0.56 0.00 0.00 36.38 36.86 2kmn s VAL 106 CO -0.00 0.01 0.02 -0.54 -0.31 0.00 0.00 175.10 174.28 2kmn s LYS 107 N 0.15 3.70 0.20 4.82 -0.14 0.14 0.76 119.74 129.38 2kmn s LYS 107 Ca -0.01 -0.48 0.06 0.00 -1.36 0.00 0.00 55.97 54.18 2kmn s LYS 107 Cb -0.02 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.95 2kmn s LYS 107 CO -0.00 0.04 -0.10 0.96 -0.76 0.00 0.00 175.35 175.49 2kmn s ILE 108 N 0.94 1.48 -0.05 2.17 -5.25 0.11 -0.25 121.20 120.35 2kmn s ILE 108 Ca 0.02 -2.14 0.04 0.00 -0.99 0.00 0.00 60.65 57.58 2kmn s ILE 108 Cb -0.14 -2.09 -0.03 0.00 2.95 0.00 0.00 42.46 43.15 2kmn s ILE 108 CO 0.02 -0.56 -0.15 -0.13 -1.79 0.00 0.00 174.94 172.34 2kmn s ARG 109 N -3.71 2.48 0.26 0.37 0.52 0.43 0.92 118.95 120.22 2kmn s ARG 109 Ca 0.23 -0.71 -0.21 0.00 -0.52 0.00 0.00 55.73 54.52 2kmn s ARG 109 Cb 0.02 -2.37 0.03 0.00 0.52 0.00 0.00 34.95 33.15 2kmn s ARG 109 CO 0.06 0.62 0.69 0.00 0.02 0.00 0.00 175.30 176.69 2kmn s ALA 110 N -0.74 -1.24 0.16 2.13 0.00 0.13 0.53 121.76 122.73 2kmn s ALA 110 Ca 0.12 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 51.95 2kmn s ALA 110 Cb -0.11 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2kmn s ALA 110 CO 0.01 -0.98 -0.09 -0.48 0.00 0.00 0.00 175.76 174.21 2kmn s LEU 111 N -2.90 3.02 0.50 0.00 0.05 -0.84 0.14 118.68 118.66 2kmn s LEU 111 Ca 0.10 -0.50 -0.02 0.00 0.05 0.00 0.00 54.13 53.76 2kmn s LEU 111 Cb -0.05 -1.74 -0.00 0.00 -2.05 0.00 0.00 46.19 42.35 2kmn s LEU 111 CO 0.04 0.13 0.75 -0.62 -0.55 0.00 0.00 176.35 176.09 2kmn s ASP 112 N -2.64 5.77 0.61 1.48 -1.08 -0.98 0.15 116.67 119.99 2kmn s ASP 112 Ca 0.24 0.45 0.24 0.00 -0.52 0.00 0.00 52.55 52.96 2kmn s ASP 112 Cb -0.10 -1.62 1.30 0.00 -1.46 0.00 0.00 42.92 41.05 2kmn s ASP 112 CO 0.15 -0.81 1.72 -0.09 0.52 0.00 0.00 175.17 176.66 2kmn h ARG 113 N 0.21 0.00 0.00 4.34 2.43 -1.94 0.43 114.38 119.86 2kmn h ARG 113 Ca -0.46 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.58 2kmn h ARG 113 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2kmn h ARG 113 CO 0.58 0.00 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.97 2kmn h ASP 114 N 0.00 0.00 0.00 -3.80 5.19 -1.96 -3.47 116.42 112.39 2kmn h ASP 114 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kmn h ASP 114 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2kmn h ASP 114 CO 0.00 0.63 0.00 0.61 -3.12 0.00 0.00 179.24 177.36 2kmn n GLY 115 N 1.16 1.54 2.83 2.75 0.00 0.15 -5.11 105.19 108.52 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 -0.35 1.04 -0.23 1.61 1.02 -1.25 -4.91 119.74 116.66 2kmn s LYS 116 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 2kmn s LYS 116 Cb 0.00 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2kmn s LYS 116 CO 0.00 -0.86 1.44 -2.14 -0.92 0.00 0.00 175.35 172.87 2kmn s PRO 117 N 1.46 3.94 0.32 -1.68 0.02 -1.26 -2.33 135.00 135.47 2kmn s PRO 117 Ca 0.06 1.53 0.05 0.00 0.02 0.00 0.00 61.00 62.65 2kmn s PRO 117 Cb -0.18 -3.93 -0.06 0.00 0.02 0.00 0.00 34.50 30.35 2kmn s PRO 117 CO -0.16 -1.11 0.02 -0.59 -0.33 0.00 0.00 177.00 174.84 2kmn s PHE 118 N 4.53 2.03 -0.17 6.54 -0.12 0.37 -4.88 117.98 126.28 2kmn s PHE 118 Ca 0.63 -0.85 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 2kmn s PHE 118 Cb -0.22 -1.30 -0.03 0.00 -0.63 0.00 0.00 43.02 40.84 2kmn s PHE 118 CO 0.24 0.14 -0.01 -1.21 -0.05 0.00 0.00 175.22 174.33 2kmn s GLU 119 N -3.83 3.76 -0.09 1.99 2.02 -1.26 0.19 118.70 121.48 2kmn s GLU 119 Ca 0.34 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.90 2kmn s GLU 119 Cb 0.08 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.31 2kmn s GLU 119 CO 0.15 0.24 -0.19 -0.48 0.02 0.00 0.00 175.26 174.99 2kmn s LEU 120 N 0.40 1.92 -0.20 1.80 0.05 0.26 -4.96 118.68 117.95 2kmn s LEU 120 Ca -0.02 -0.47 -0.17 0.00 0.05 0.00 0.00 54.13 53.51 2kmn s LEU 120 Cb -0.14 -1.21 -0.03 0.00 -2.05 0.00 0.00 46.19 42.76 2kmn s LEU 120 CO 0.02 0.10 0.47 -1.83 -0.55 0.00 0.00 176.35 174.56 2kmn s GLU 121 N 0.55 4.18 -0.06 1.48 1.03 -1.26 0.06 118.70 124.67 2kmn s GLU 121 Ca -0.15 0.33 0.04 0.00 0.03 0.00 0.00 54.97 55.21 2kmn s GLU 121 Cb -0.17 -3.56 -0.02 0.00 -0.80 0.00 0.00 34.13 29.58 2kmn s GLU 121 CO 0.05 -0.12 -0.18 0.00 -1.33 0.00 0.00 175.26 173.68 2kmn s ALA 122 N 1.55 2.47 0.25 -0.84 0.00 0.23 -4.94 121.76 120.48 2kmn s ALA 122 Ca 0.22 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.24 2kmn s ALA 122 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2kmn s ALA 122 CO 0.09 0.47 -0.07 -0.51 0.00 0.00 0.00 175.76 175.74 2kmn s ASP 123 N -0.40 2.54 0.55 0.00 1.01 -1.26 0.14 116.67 119.25 2kmn s ASP 123 Ca 0.04 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.14 2kmn s ASP 123 Cb -0.12 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2kmn s ASP 123 CO 0.02 -0.34 0.00 0.61 0.21 0.00 0.00 175.17 175.67 2kmn n GLY 124 N -0.50 2.37 0.38 0.21 0.00 -0.16 -1.32 105.19 106.18 2kmn n GLY 124 Ca -0.06 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 45.94 2kmn n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kmn h LEU 125 N 0.00 0.26 0.18 0.99 3.38 -1.98 0.29 115.31 118.42 2kmn h LEU 125 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kmn h LEU 125 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kmn h LEU 125 CO 0.00 0.14 -0.09 0.25 0.09 0.00 0.00 178.44 178.83 2kmn h LEU 126 N 0.27 -0.20 -0.73 1.67 7.12 -1.58 -2.05 115.31 119.82 2kmn h LEU 126 Ca 0.32 -0.33 0.03 0.00 0.13 0.00 0.00 57.88 58.03 2kmn h LEU 126 Cb 0.87 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.01 2kmn h LEU 126 CO -0.07 0.31 0.46 0.00 -0.13 0.00 0.00 178.44 179.00 2kmn h ALA 127 N -0.20 0.95 0.41 1.25 0.00 -0.66 0.63 119.26 121.63 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 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kmn h ALA 127 CO 0.04 0.26 -0.20 0.82 0.00 0.00 0.00 179.25 180.17 2kmn h ILE 128 N 0.91 0.60 0.07 0.00 1.08 -0.51 -0.16 117.51 119.51 2kmn h ILE 128 Ca 0.29 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2kmn h ILE 128 Cb -0.00 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 2kmn h ILE 128 CO -0.10 0.04 -0.04 0.00 -0.69 0.00 0.00 178.15 177.36 2kmn h ILE 130 N -0.10 1.09 -0.43 0.00 -0.00 -0.89 0.16 117.51 117.33 2kmn h ILE 130 Ca -0.01 -0.26 -0.12 0.00 -0.00 0.00 0.00 64.86 64.47 2kmn h ILE 130 Cb 0.08 0.26 -0.01 0.00 -0.00 0.00 0.00 36.82 37.14 2kmn h ILE 130 CO 0.02 0.14 -0.20 0.06 -0.00 0.00 0.00 178.15 178.17 2kmn h GLN 131 N 0.76 0.86 -0.42 2.19 3.07 -0.82 -2.29 115.11 118.47 2kmn h GLN 131 Ca 0.25 -0.34 0.01 0.00 0.09 0.00 0.00 58.65 58.66 2kmn h GLN 131 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.49 2kmn h GLN 131 CO -0.09 0.98 0.25 1.25 0.09 0.00 0.00 178.83 181.31 2kmn h HIS 132 N 0.75 0.48 -0.51 0.06 2.76 0.73 -2.35 115.15 117.07 2kmn h HIS 132 Ca 0.11 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kmn h HIS 132 Cb 0.73 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 2kmn h HIS 132 CO 0.04 0.28 0.33 0.93 -1.30 0.00 0.00 177.93 178.21 2kmn h GLU 133 N 0.51 0.65 -0.28 5.26 4.39 -0.48 0.22 114.58 124.85 2kmn h GLU 133 Ca 0.16 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.86 2kmn h GLU 133 Cb -0.01 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 2kmn h GLU 133 CO -0.07 0.43 0.06 0.52 -1.16 0.00 0.00 179.01 178.80 2kmn h MET 134 N 0.67 0.17 -0.26 2.33 2.86 -1.05 0.41 114.93 120.06 2kmn h MET 134 Ca 0.19 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2kmn h MET 134 Cb -0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2kmn h MET 134 CO -0.05 0.11 0.10 0.38 1.06 0.00 0.00 176.91 178.51 2kmn h ASP 135 N 0.17 0.37 0.14 1.22 3.04 -1.14 -2.29 116.42 117.93 2kmn h ASP 135 Ca 0.13 -0.17 0.01 0.00 -3.24 0.00 0.00 57.03 53.75 2kmn h ASP 135 Cb 0.13 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.31 2kmn h ASP 135 CO -0.17 0.44 -0.15 -0.74 -2.04 0.00 0.00 179.24 176.59 2kmn h HIS 136 N 0.27 -0.38 -0.33 4.15 2.76 0.03 0.28 115.15 121.93 2kmn h HIS 136 Ca 0.09 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2kmn h HIS 136 Cb 0.19 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 2kmn h HIS 136 CO -0.01 -0.23 0.22 1.37 -1.30 0.00 0.00 177.93 177.99 2kmn h LEU 137 N -0.32 0.30 -0.91 0.26 8.10 -0.14 0.71 115.31 123.31 2kmn h LEU 137 Ca 0.01 -0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kmn h LEU 137 Cb 0.31 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 2kmn h LEU 137 CO -0.05 0.21 0.00 0.55 -4.11 0.00 0.00 178.44 175.05 2kmn n VAL 138 N -4.49 0.01 -1.61 0.15 3.14 -0.87 -2.01 118.33 112.66 2kmn n VAL 138 Ca 0.03 -0.01 -0.19 0.00 -2.96 0.00 0.00 64.34 61.21 2kmn n VAL 138 Cb 0.14 -0.45 -0.08 0.00 -1.06 0.00 0.00 33.84 32.39 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 0.05 1.76 3.28 7.55 0.00 0.25 -3.74 105.19 114.33 2kmn n GLY 139 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.71 2.97 -0.06 1.61 -2.85 0.94 -4.03 119.74 114.61 2kmn s LYS 140 Ca 0.00 -0.91 0.03 0.00 -1.00 0.00 0.00 55.97 54.09 2kmn s LYS 140 Cb 0.00 -3.19 0.01 0.00 -2.06 0.00 0.00 37.83 32.59 2kmn s LYS 140 CO 0.00 -0.42 -0.14 -0.51 0.10 0.00 0.00 175.35 174.38 2kmn s LEU 141 N 1.42 1.77 0.26 2.77 1.02 -1.26 -2.18 118.68 122.47 2kmn s LEU 141 Ca 0.01 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 2kmn s LEU 141 Cb -0.17 -0.87 0.34 0.00 0.02 0.00 0.00 46.19 45.51 2kmn s LEU 141 CO -0.01 0.08 1.90 -0.26 0.02 0.00 0.00 176.35 178.08 2kmn h PHE 142 N 6.67 1.23 0.00 0.29 -1.00 -1.97 -1.43 116.94 120.73 2kmn h PHE 142 Ca -0.31 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 2kmn h PHE 142 Cb 1.18 -0.41 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 2kmn h PHE 142 CO 0.47 0.70 -0.06 1.98 -1.61 0.00 0.00 178.31 179.79 2kmn h MET 143 N 1.26 0.00 -0.10 1.51 4.05 -1.94 -1.85 114.93 117.86 2kmn h MET 143 Ca 0.40 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.85 2kmn h MET 143 Cb 0.02 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2kmn h MET 143 CO -0.13 0.06 0.24 -0.44 0.23 0.00 0.00 176.91 176.86 2kmn h ASP 144 N 0.00 0.00 -0.75 1.39 5.19 -1.68 -1.32 116.42 119.25 2kmn h ASP 144 Ca -0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 2kmn h ASP 144 Cb 0.12 0.00 -0.43 0.00 0.18 0.00 0.00 39.33 39.20 2kmn h ASP 144 CO 0.01 0.00 -0.82 0.00 -3.12 0.00 0.00 179.24 175.31 2kmn n TYR 145 N -3.31 2.75 -3.49 4.55 9.36 -0.69 -5.04 117.16 121.27 2kmn n TYR 145 Ca -0.00 -2.22 -0.38 0.00 3.32 0.00 0.00 57.90 58.62 2kmn n TYR 145 Cb 0.33 -0.34 -0.06 0.00 -0.63 0.00 0.00 39.34 38.64 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 -3.60 4.46 0.00 2.98 1.43 -0.50 -5.11 118.68 118.34 2kmn s LEU 146 Ca 0.51 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2kmn s LEU 146 Cb 0.41 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.95 2kmn s LEU 146 CO 0.04 0.30 0.00 -1.20 0.23 0.00 0.00 176.35 175.71