#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3deg n LYS 2 N 0.00 0.00 -3.65 0.00 5.02 -1.26 -5.15 118.16 113.12 3deg n LYS 2 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3deg n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3deg n LYS 2 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3deg s LYS 3 N 0.74 0.02 0.99 1.97 2.20 -1.26 -5.16 119.74 119.24 3deg s LYS 3 Ca 0.00 -0.00 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 3deg s LYS 3 Cb 0.00 0.01 0.15 0.00 -1.51 0.00 0.00 37.83 36.48 3deg s LYS 3 CO 0.00 -0.01 0.90 1.55 -0.36 0.00 0.00 175.35 177.43 3deg n VAL 4 N 0.17 0.00 -3.88 4.02 3.14 -1.26 -5.04 118.33 115.48 3deg n VAL 4 Ca 0.04 -0.15 -0.09 0.00 -2.96 0.00 0.00 64.34 61.18 3deg n VAL 4 Cb 0.57 -0.90 -0.04 0.00 -1.06 0.00 0.00 33.84 32.41 3deg n VAL 4 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3deg s GLN 5 N -4.31 1.55 -0.26 1.45 0.74 -1.26 -5.11 119.66 112.45 3deg s GLN 5 Ca 0.65 -1.07 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 3deg s GLN 5 Cb -0.22 0.52 -0.03 0.00 1.10 0.00 0.00 33.01 34.38 3deg s GLN 5 CO 0.62 -0.67 1.81 0.00 -0.55 0.00 0.00 175.29 176.51 3deg s ALA 6 N -3.95 3.01 -0.09 1.58 0.00 -1.26 -4.92 121.76 116.13 3deg s ALA 6 Ca 0.15 0.46 -0.32 0.00 0.00 0.00 0.00 51.96 52.26 3deg s ALA 6 Cb -0.02 -3.96 0.12 0.00 0.00 0.00 0.00 23.12 19.26 3deg s ALA 6 CO 0.05 -2.39 1.10 1.52 0.00 0.00 0.00 175.76 176.04 3deg s TYR 7 N 6.44 -0.19 0.07 0.00 -0.85 -1.26 -3.39 117.35 118.16 3deg s TYR 7 Ca 0.81 0.09 0.08 0.00 -0.52 0.00 0.00 57.07 57.53 3deg s TYR 7 Cb -0.26 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.58 3deg s TYR 7 CO 0.33 -0.36 -0.21 0.14 -1.52 0.00 0.00 175.55 173.93 3deg s VAL 8 N -2.70 2.62 0.01 -3.49 -7.23 0.26 -4.99 120.40 104.87 3deg s VAL 8 Ca 0.09 -1.36 0.08 0.00 -1.81 0.00 0.00 61.98 58.98 3deg s VAL 8 Cb -0.00 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 3deg s VAL 8 CO -0.06 0.26 -0.25 -1.59 -0.31 0.00 0.00 175.10 173.15 3deg s LYS 9 N -1.62 2.00 -0.10 4.82 -2.85 -1.26 -0.42 119.74 120.31 3deg s LYS 9 Ca 0.15 -1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 53.82 3deg s LYS 9 Cb -0.10 -2.04 0.10 0.00 -2.06 0.00 0.00 37.83 33.73 3deg s LYS 9 CO 0.06 0.54 0.87 -0.48 0.10 0.00 0.00 175.35 176.44 3deg s LEU 10 N -0.90 -0.48 -0.38 2.77 0.05 -0.79 -5.01 118.68 113.93 3deg s LEU 10 Ca 0.11 0.48 -0.09 0.00 0.05 0.00 0.00 54.13 54.68 3deg s LEU 10 Cb -0.10 2.14 0.05 0.00 -2.05 0.00 0.00 46.19 46.23 3deg s LEU 10 CO 0.01 -0.47 0.20 0.00 -0.55 0.00 0.00 176.35 175.54 3deg s GLN 11 N -1.33 2.69 0.14 1.48 -2.07 -1.26 -0.30 119.66 119.01 3deg s GLN 11 Ca -0.05 -1.25 0.07 0.00 -1.82 0.00 0.00 55.36 52.32 3deg s GLN 11 Cb -0.00 -3.69 -0.04 0.00 -1.09 0.00 0.00 33.01 28.19 3deg s GLN 11 CO 0.04 -0.79 -0.04 0.14 -1.32 0.00 0.00 175.29 173.32 3deg s VAL 12 N 1.47 3.61 0.99 3.63 -7.23 -1.14 -4.89 120.40 116.84 3deg s VAL 12 Ca 0.01 -1.33 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 3deg s VAL 12 Cb -0.21 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 33.99 3deg s VAL 12 CO 0.04 -0.00 0.08 0.00 -0.31 0.00 0.00 175.10 174.90 3deg n ALA 13 N 0.27 -3.45 -1.00 1.32 0.00 -1.26 -2.15 120.51 114.24 3deg n ALA 13 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3deg n ALA 13 Cb 0.54 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3deg n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3deg n ALA 14 N -3.58 0.00 -3.17 0.00 0.00 -1.25 -4.25 120.51 108.25 3deg n ALA 14 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 3deg n ALA 14 Cb 0.56 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 3deg n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3deg n GLY 15 N -0.34 4.78 0.00 0.00 0.00 -1.26 -4.55 105.19 103.81 3deg n GLY 15 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 3deg n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3deg n MET 16 N 1.81 0.00 -3.87 1.61 0.00 -1.26 -5.06 117.12 110.34 3deg n MET 16 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.93 3deg n MET 16 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.59 3deg n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3deg s ALA 17 N -0.30 -1.72 0.00 -5.12 0.00 -1.26 -4.30 121.76 109.07 3deg s ALA 17 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3deg s ALA 17 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3deg s ALA 17 CO 0.00 -1.07 0.00 -1.71 0.00 0.00 0.00 175.76 172.98 3deg n ASN 18 N -1.12 0.00 -4.77 0.00 5.15 -1.26 -4.98 115.26 108.28 3deg n ASN 18 Ca -0.03 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.55 3deg n ASN 18 Cb 0.60 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.84 3deg n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3deg s PRO 19 N -1.00 4.18 0.09 1.20 0.04 -1.26 -4.57 135.00 133.69 3deg s PRO 19 Ca 0.00 2.38 -0.33 0.00 0.04 0.00 0.00 61.00 63.09 3deg s PRO 19 Cb 0.00 -2.98 -0.15 0.00 0.04 0.00 0.00 34.50 31.40 3deg s PRO 19 CO 0.00 -0.40 1.59 1.03 0.04 0.00 0.00 177.00 179.27 3deg h SER 20 N 3.11 -1.11 0.12 6.66 0.87 -1.98 -1.34 113.55 119.87 3deg h SER 20 Ca -0.50 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.17 3deg h SER 20 Cb 1.24 0.36 -0.04 0.00 -0.44 0.00 0.00 62.40 63.51 3deg h SER 20 CO 0.64 -0.59 -0.39 -0.65 -0.53 0.00 0.00 176.83 175.31 3deg h PRO 21 N -0.89 -0.60 0.55 2.24 0.11 -1.99 -3.24 132.00 128.18 3deg h PRO 21 Ca -0.05 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3deg h PRO 21 Cb 0.77 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3deg h PRO 21 CO -0.03 -0.40 -0.32 -1.35 -0.21 0.00 0.00 178.00 175.70 3deg h PRO 22 N -0.62 -0.78 0.00 1.05 0.11 -1.96 -3.46 132.00 126.34 3deg h PRO 22 Ca 0.03 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3deg h PRO 22 Cb 0.65 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3deg h PRO 22 CO -0.23 -0.52 0.00 1.33 -0.21 0.00 0.00 178.00 178.37 3deg n VAL 23 N -4.35 0.00 0.00 3.15 0.24 -0.51 -4.77 118.33 112.09 3deg n VAL 23 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3deg n VAL 23 Cb 0.33 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 3deg n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3deg n GLY 24 N 5.00 1.55 0.54 7.63 0.00 -1.20 -1.54 105.19 117.18 3deg n GLY 24 Ca 0.00 0.55 0.37 0.00 0.00 0.00 0.00 46.02 46.94 3deg n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3deg h PRO 25 N 0.00 0.06 0.00 1.61 0.11 -1.88 0.86 132.00 132.76 3deg h PRO 25 Ca 0.00 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3deg h PRO 25 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3deg h PRO 25 CO 0.00 0.04 -0.16 0.00 -0.21 0.00 0.00 178.00 177.67 3deg h ALA 26 N 1.38 -0.64 0.00 -0.75 0.00 -1.53 -2.85 119.26 114.88 3deg h ALA 26 Ca 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3deg h ALA 26 Cb 2.47 0.64 0.00 0.00 0.00 0.00 0.00 17.79 20.90 3deg h ALA 26 CO -0.08 -0.69 -0.77 1.47 0.00 0.00 0.00 179.25 179.18 3deg n LEU 27 N -3.39 0.62 0.22 0.00 -0.00 -0.96 -4.11 117.00 109.38 3deg n LEU 27 Ca -0.02 -0.01 0.07 0.00 -0.00 0.00 0.00 56.01 56.05 3deg n LEU 27 Cb 0.12 -0.16 0.59 0.00 -0.00 0.00 0.00 43.42 43.97 3deg n LEU 27 CO 0.04 0.07 1.05 1.23 -0.00 0.00 0.00 177.39 179.78 3deg h GLY 28 N 4.73 0.08 1.21 1.47 0.00 0.87 -1.86 103.07 109.57 3deg h GLY 28 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3deg h GLY 28 CO 0.00 0.03 0.30 1.46 0.00 0.00 0.00 176.54 178.33 3deg h GLN 29 N 0.08 1.01 0.00 4.80 1.08 -1.66 -1.21 115.11 119.22 3deg h GLN 29 Ca 0.02 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3deg h GLN 29 Cb 0.05 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3deg h GLN 29 CO -0.00 0.81 0.00 1.96 -0.95 0.00 0.00 178.83 180.65 3deg h GLN 30 N 1.00 0.00 0.00 1.46 1.08 -1.60 -3.45 115.11 113.60 3deg h GLN 30 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 3deg h GLN 30 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3deg h GLN 30 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 3deg n GLY 31 N -0.47 1.44 3.80 3.46 0.00 -0.45 -4.98 105.19 107.99 3deg n GLY 31 Ca -0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3deg n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3deg s VAL 32 N -2.00 3.91 -1.03 1.61 1.01 -1.17 -4.79 120.40 117.95 3deg s VAL 32 Ca 0.00 1.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 3deg s VAL 32 Cb 0.00 -3.47 0.17 0.00 0.00 0.00 0.00 36.38 33.08 3deg s VAL 32 CO 0.00 -0.36 1.18 0.20 0.00 0.00 0.00 175.10 176.12 3deg s ASN 33 N -2.32 6.88 0.20 3.32 0.01 -1.26 -4.71 114.94 117.06 3deg s ASN 33 Ca 0.65 -2.63 -0.17 0.00 -0.71 0.00 0.00 52.86 50.00 3deg s ASN 33 Cb -0.15 -2.35 0.19 0.00 0.41 0.00 0.00 41.25 39.35 3deg s ASN 33 CO 0.25 -0.80 1.61 0.40 -1.51 0.00 0.00 177.10 177.05 3deg h ILE 34 N 5.05 0.27 -0.64 0.60 1.08 -1.94 -0.92 117.51 121.01 3deg h ILE 34 Ca 0.21 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.79 3deg h ILE 34 Cb 0.96 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 34.89 3deg h ILE 34 CO 1.09 0.00 0.18 -0.03 -0.69 0.00 0.00 178.15 178.70 3deg h MET 35 N -0.08 0.31 -0.16 2.37 4.05 -1.97 0.41 114.93 119.85 3deg h MET 35 Ca 0.27 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.64 3deg h MET 35 Cb 0.51 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 3deg h MET 35 CO -0.66 0.21 -0.03 1.49 0.23 0.00 0.00 176.91 178.14 3deg h GLU 36 N 0.32 0.31 0.13 0.39 4.81 -1.64 -3.13 114.58 115.78 3deg h GLU 36 Ca 0.34 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3deg h GLU 36 Cb 0.49 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3deg h GLU 36 CO -0.39 0.57 -0.06 0.35 -0.73 0.00 0.00 179.01 178.74 3deg h PHE 37 N 0.03 -0.17 -0.64 0.92 3.57 -0.71 0.11 116.94 120.05 3deg h PHE 37 Ca 0.04 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 3deg h PHE 37 Cb 0.45 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.14 3deg h PHE 37 CO 0.05 -0.00 0.08 0.00 -2.23 0.00 0.00 178.31 176.21 3deg h LYS 39 N 0.19 0.32 -0.22 0.00 3.64 -1.49 -2.85 116.57 116.16 3deg h LYS 39 Ca 0.34 -0.31 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3deg h LYS 39 Cb 0.55 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3deg h LYS 39 CO -0.48 1.00 -0.36 0.00 -2.27 0.00 0.00 179.45 177.33 3deg h ALA 40 N 0.90 0.34 0.39 5.00 0.00 0.59 -2.75 119.26 123.72 3deg h ALA 40 Ca -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3deg h ALA 40 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3deg h ALA 40 CO 0.14 0.41 -0.19 0.35 0.00 0.00 0.00 179.25 179.97 3deg h PHE 41 N 0.33 -0.48 -1.03 0.00 3.57 0.11 -3.02 116.94 116.42 3deg h PHE 41 Ca 0.02 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.80 3deg h PHE 41 Cb 0.95 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 3deg h PHE 41 CO 0.09 -0.30 0.78 -0.91 -2.23 0.00 0.00 178.31 175.73 3deg h ASN 42 N -0.60 0.00 0.35 0.41 2.35 -1.64 -0.78 115.58 115.67 3deg h ASN 42 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3deg h ASN 42 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3deg h ASN 42 CO 0.09 0.00 -0.47 0.00 -1.65 0.00 0.00 177.43 175.40 3deg h ALA 43 N 1.41 -1.07 0.00 -0.83 0.00 -1.35 -2.32 119.26 115.10 3deg h ALA 43 Ca 0.49 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3deg h ALA 43 Cb 2.04 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 20.57 3deg h ALA 43 CO -0.01 -1.13 -0.54 -0.22 0.00 0.00 0.00 179.25 177.35 3deg h LYS 44 N -0.85 0.00 -0.45 0.00 3.64 -1.43 -3.32 116.57 114.16 3deg h LYS 44 Ca -0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3deg h LYS 44 Cb 0.77 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3deg h LYS 44 CO -0.12 0.30 0.09 1.15 -2.27 0.00 0.00 179.45 178.60 3deg h THR 45 N 0.00 1.21 -0.55 1.00 2.02 -1.07 -1.56 112.91 113.96 3deg h THR 45 Ca -0.02 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3deg h THR 45 Cb 1.28 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3deg h THR 45 CO 0.04 0.27 0.35 0.44 0.37 0.00 0.00 175.52 177.00 3deg h ASP 46 N 0.66 0.64 -0.10 4.18 3.32 -1.51 0.35 116.42 123.96 3deg h ASP 46 Ca 0.15 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3deg h ASP 46 Cb 0.28 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3deg h ASP 46 CO 0.00 0.48 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.71 3deg h SER 47 N 0.74 0.17 0.45 6.45 0.87 -1.65 -3.28 113.55 117.30 3deg h SER 47 Ca 0.20 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3deg h SER 47 Cb -0.06 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3deg h SER 47 CO -0.04 0.46 -0.47 0.40 -0.53 0.00 0.00 176.83 176.65 3deg h ILE 48 N -0.12 0.08 0.00 2.23 2.04 -1.09 -3.46 117.51 117.19 3deg h ILE 48 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3deg h ILE 48 Cb 0.38 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3deg h ILE 48 CO 0.01 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.32 3deg n GLU 49 N -5.54 0.00 -4.08 2.37 0.28 0.09 -5.10 120.64 108.66 3deg n GLU 49 Ca -0.11 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.60 3deg n GLU 49 Cb 0.44 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.24 3deg n GLU 49 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3deg s LYS 50 N -0.16 2.81 0.00 3.44 1.02 -1.26 -4.51 119.74 121.09 3deg s LYS 50 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.19 3deg s LYS 50 Cb 0.00 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3deg s LYS 50 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 3deg n GLY 51 N 0.16 1.53 3.20 -3.33 0.00 -1.26 -5.02 105.19 100.46 3deg n GLY 51 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3deg n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3deg s LEU 52 N 0.00 2.73 -0.06 0.99 1.02 -1.26 -4.89 118.68 117.20 3deg s LEU 52 Ca 0.00 -0.68 -0.32 0.00 0.02 0.00 0.00 54.13 53.15 3deg s LEU 52 Cb 0.00 -1.61 -0.10 0.00 0.02 0.00 0.00 46.19 44.50 3deg s LEU 52 CO 0.00 -0.05 1.96 -2.65 0.02 0.00 0.00 176.35 175.63 3deg n PRO 53 N 4.68 2.38 -4.28 1.29 -0.02 -1.26 -3.79 135.00 133.99 3deg n PRO 53 Ca -0.18 0.85 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 3deg n PRO 53 Cb 0.49 -2.83 -0.14 0.00 -0.02 0.00 0.00 33.50 30.99 3deg n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3deg s ILE 54 N 4.76 3.02 -0.01 4.25 1.01 -0.91 -4.46 121.20 128.86 3deg s ILE 54 Ca 0.93 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 3deg s ILE 54 Cb -0.57 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3deg s ILE 54 CO 0.47 0.48 1.15 -2.16 0.00 0.00 0.00 174.94 174.88 3deg s PRO 55 N 1.01 4.42 0.08 2.79 0.04 -1.26 -2.88 135.00 139.20 3deg s PRO 55 Ca -0.01 1.65 0.08 0.00 0.04 0.00 0.00 61.00 62.77 3deg s PRO 55 Cb -0.15 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 3deg s PRO 55 CO -0.01 -0.30 -0.23 0.54 0.04 0.00 0.00 177.00 177.04 3deg s VAL 56 N 1.57 1.84 -0.44 -0.36 0.11 0.58 -3.47 120.40 120.23 3deg s VAL 56 Ca 0.56 -1.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.09 3deg s VAL 56 Cb -0.25 -1.63 0.10 0.00 -1.53 0.00 0.00 36.38 33.07 3deg s VAL 56 CO 0.25 0.11 0.29 -0.69 -3.33 0.00 0.00 175.10 171.74 3deg s VAL 57 N -0.97 4.03 -0.24 2.04 1.01 -1.21 -1.89 120.40 123.16 3deg s VAL 57 Ca 0.09 -1.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.08 3deg s VAL 57 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3deg s VAL 57 CO 0.03 -0.67 0.96 -0.63 0.00 0.00 0.00 175.10 174.79 3deg s ILE 58 N 1.34 4.73 -0.38 2.22 1.09 0.44 -3.32 121.20 127.32 3deg s ILE 58 Ca 0.05 1.81 -0.09 0.00 -1.10 0.00 0.00 60.65 61.31 3deg s ILE 58 Cb -0.25 -4.24 0.04 0.00 -1.06 0.00 0.00 42.46 36.95 3deg s ILE 58 CO -0.01 -0.17 0.20 -0.89 -0.10 0.00 0.00 174.94 173.97 3deg s THR 59 N 3.10 4.31 0.16 2.92 2.01 0.19 -0.57 115.64 127.74 3deg s THR 59 Ca 0.40 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 3deg s THR 59 Cb -0.15 -3.47 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 3deg s THR 59 CO 0.07 -0.29 0.53 -0.69 -0.69 0.00 0.00 174.62 173.55 3deg s VAL 60 N 1.49 4.91 0.56 3.82 1.01 -1.22 -0.99 120.40 129.98 3deg s VAL 60 Ca 0.01 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.73 3deg s VAL 60 Cb -0.20 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.54 3deg s VAL 60 CO 0.05 0.17 0.45 -0.31 0.00 0.00 0.00 175.10 175.46 3deg s TYR 61 N -1.54 1.50 0.44 5.22 2.02 -0.12 -4.74 117.35 120.13 3deg s TYR 61 Ca 0.39 -0.86 0.17 0.00 -0.37 0.00 0.00 57.07 56.41 3deg s TYR 61 Cb -0.14 -1.93 1.09 0.00 -0.40 0.00 0.00 41.96 40.58 3deg s TYR 61 CO 0.19 -0.59 2.00 0.00 -1.57 0.00 0.00 175.55 175.58 3deg h ALA 62 N 0.65 1.58 -0.02 3.71 0.00 -1.99 0.03 119.26 123.21 3deg h ALA 62 Ca -0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3deg h ALA 62 Cb 1.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3deg h ALA 62 CO 0.55 0.23 0.01 -0.25 0.00 0.00 0.00 179.25 179.79 3deg n ASP 63 N -4.15 1.91 -0.34 0.00 8.00 -1.26 -4.78 116.55 115.93 3deg n ASP 63 Ca -0.02 -2.04 -0.02 0.00 0.71 0.00 0.00 54.79 53.42 3deg n ASP 63 Cb 0.25 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 3deg n ASP 63 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3deg n ARG 64 N 0.19 -1.75 -0.99 -1.24 -4.01 -0.00 -4.88 116.66 103.98 3deg n ARG 64 Ca 0.01 0.20 -0.12 0.00 -1.04 0.00 0.00 57.85 56.90 3deg n ARG 64 Cb 0.39 -3.56 0.08 0.00 -3.04 0.00 0.00 32.46 26.33 3deg n ARG 64 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3deg n SER 65 N 1.44 0.19 -3.63 2.89 2.88 -1.26 -4.55 113.62 111.59 3deg n SER 65 Ca -0.02 -1.28 -0.05 0.00 -1.33 0.00 0.00 58.87 56.19 3deg n SER 65 Cb 0.15 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.20 3deg n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3deg s PHE 66 N -1.96 -0.21 0.20 0.66 -0.12 -1.26 -0.94 117.98 114.35 3deg s PHE 66 Ca 0.31 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.19 3deg s PHE 66 Cb -0.01 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 3deg s PHE 66 CO 0.22 -0.62 0.13 -0.08 -0.05 0.00 0.00 175.22 174.81 3deg s THR 67 N -3.08 0.01 -0.26 -4.49 -1.32 -0.16 -4.94 115.64 101.40 3deg s THR 67 Ca 0.09 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.32 3deg s THR 67 Cb -0.01 -2.50 0.07 0.00 -1.51 0.00 0.00 72.50 68.56 3deg s THR 67 CO -0.03 -0.00 0.74 0.72 -2.21 0.00 0.00 174.62 173.83 3deg s PHE 68 N -4.15 -0.76 -0.21 9.09 -0.71 -1.26 0.53 117.98 120.50 3deg s PHE 68 Ca 0.39 1.83 -0.05 0.00 -1.04 0.00 0.00 56.93 58.06 3deg s PHE 68 Cb 0.07 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 3deg s PHE 68 CO 0.12 -0.38 0.01 0.08 -1.34 0.00 0.00 175.22 173.71 3deg s VAL 69 N 0.28 3.93 0.03 -2.49 1.01 -1.21 -4.95 120.40 116.99 3deg s VAL 69 Ca -0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 3deg s VAL 69 Cb -0.05 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 3deg s VAL 69 CO 0.01 0.41 0.53 -0.89 0.00 0.00 0.00 175.10 175.16 3deg s THR 70 N 1.21 4.87 0.00 3.92 2.01 -1.26 -3.33 115.64 123.06 3deg s THR 70 Ca 0.03 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.15 3deg s THR 70 Cb -0.15 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3deg s THR 70 CO 0.01 0.52 0.00 0.29 -0.69 0.00 0.00 174.62 174.75 3deg n LYS 71 N 2.08 0.87 -4.10 4.92 5.02 -1.23 -5.09 118.16 120.64 3deg n LYS 71 Ca -0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 3deg n LYS 71 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.46 3deg n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3deg s THR 72 N 3.48 0.00 0.00 -0.18 -4.23 -1.26 -4.73 115.64 108.72 3deg s THR 72 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 3deg s THR 72 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3deg s THR 72 CO 0.00 0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.27 3deg n PRO 73 N -0.46 2.00 -0.28 3.99 -0.04 -1.26 -4.35 135.00 134.60 3deg n PRO 73 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3deg n PRO 73 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 3deg n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3deg n PRO 74 N 0.00 2.85 0.02 0.54 -0.02 -1.26 -4.90 135.00 132.24 3deg n PRO 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3deg n PRO 74 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3deg n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3deg n ALA 75 N -3.00 3.00 -0.08 3.55 0.00 -1.26 -4.83 120.51 117.89 3deg n ALA 75 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3deg n ALA 75 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3deg n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3deg n ALA 76 N -2.66 0.18 -0.10 0.00 0.00 -1.26 0.09 120.51 116.76 3deg n ALA 76 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 3deg n ALA 76 Cb 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 19.45 19.30 3deg n ALA 76 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3deg h VAL 77 N 0.00 1.27 -0.09 0.00 -1.51 -2.00 -1.73 116.25 112.19 3deg h VAL 77 Ca 0.18 -1.36 -0.08 0.00 -1.23 0.00 0.00 66.70 64.20 3deg h VAL 77 Cb 0.42 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 3deg h VAL 77 CO -0.21 0.46 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.20 3deg h LEU 78 N 0.72 0.17 -0.29 4.19 3.38 -0.67 -2.34 115.31 120.47 3deg h LEU 78 Ca 0.10 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 3deg h LEU 78 Cb 0.76 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3deg h LEU 78 CO 0.06 0.49 -0.87 -0.07 0.09 0.00 0.00 178.44 178.14 3deg h LEU 79 N 0.15 0.17 -0.33 1.67 3.38 -1.26 -1.86 115.31 117.23 3deg h LEU 79 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3deg h LEU 79 Cb 0.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3deg h LEU 79 CO 0.05 0.95 0.03 0.11 0.09 0.00 0.00 178.44 179.67 3deg h LYS 80 N 0.07 0.57 -0.32 1.13 1.57 -0.92 0.19 116.57 118.86 3deg h LYS 80 Ca -0.03 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 3deg h LYS 80 Cb 1.50 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 3deg h LYS 80 CO 0.13 0.67 -0.46 1.57 -0.57 0.00 0.00 179.45 180.79 3deg h LYS 81 N 0.38 0.87 -0.56 3.15 2.10 -1.47 0.11 116.57 121.14 3deg h LYS 81 Ca 0.10 -0.51 -0.04 0.00 -2.00 0.00 0.00 60.65 58.20 3deg h LYS 81 Cb 0.40 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 3deg h LYS 81 CO 0.01 1.15 0.21 0.00 -2.00 0.00 0.00 179.45 178.82 3deg h ALA 82 N 0.71 1.30 0.00 0.07 0.00 -1.22 -1.49 119.26 118.64 3deg h ALA 82 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3deg h ALA 82 Cb 1.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3deg h ALA 82 CO 0.11 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 3deg h ALA 83 N 1.41 0.91 0.00 0.00 0.00 -0.48 -3.48 119.26 117.63 3deg h ALA 83 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3deg h ALA 83 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3deg h ALA 83 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 3deg n GLY 84 N 1.19 0.52 3.99 0.00 0.00 0.16 -4.73 105.19 106.32 3deg n GLY 84 Ca 0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3deg n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3deg s ILE 85 N -2.00 3.64 -0.25 -0.61 -4.36 -0.02 -4.98 121.20 112.61 3deg s ILE 85 Ca 0.00 -0.85 -0.06 0.00 -0.26 0.00 0.00 60.65 59.47 3deg s ILE 85 Cb 0.00 -3.28 -0.16 0.00 1.25 0.00 0.00 42.46 40.27 3deg s ILE 85 CO 0.00 -0.14 -0.21 0.29 0.24 0.00 0.00 174.94 175.13 3deg n LYS 86 N -1.87 0.63 -4.68 0.37 5.02 -1.26 -4.31 118.16 112.06 3deg n LYS 86 Ca 0.03 0.23 -0.30 0.00 -2.02 0.00 0.00 58.31 56.24 3deg n LYS 86 Cb 0.58 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 3deg n LYS 86 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3deg s SER 87 N -6.96 3.68 0.00 4.39 0.01 -1.26 -5.03 113.70 108.52 3deg s SER 87 Ca -0.35 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.25 3deg s SER 87 Cb 0.11 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.84 3deg s SER 87 CO 0.57 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.96 3deg n GLY 88 N -1.14 -1.07 0.09 3.44 0.00 -1.26 -5.01 105.19 100.25 3deg n GLY 88 Ca -0.14 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 3deg n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3deg n SER 89 N 0.00 0.81 0.00 1.61 2.88 -0.94 -4.91 113.62 113.07 3deg n SER 89 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 3deg n SER 89 Cb 0.00 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 3deg n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3deg n GLY 90 N 1.65 1.65 2.29 0.46 0.00 -1.26 -4.61 105.19 105.36 3deg n GLY 90 Ca -0.22 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3deg n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3deg n LYS 91 N 0.00 1.26 -1.27 1.61 2.85 -1.26 -5.13 118.16 116.23 3deg n LYS 91 Ca 0.00 -3.59 -0.42 0.00 -1.05 0.00 0.00 58.31 53.25 3deg n LYS 91 Cb 0.00 -1.67 -0.01 0.00 -0.65 0.00 0.00 35.03 32.70 3deg n LYS 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3deg n PRO 92 N 0.57 0.00 0.00 -1.58 -0.02 -1.26 -1.60 135.00 131.11 3deg n PRO 92 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3deg n PRO 92 Cb 0.58 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3deg n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3deg n ASN 93 N 2.10 0.00 0.20 2.55 5.03 -1.26 -4.55 115.26 119.33 3deg n ASN 93 Ca 0.13 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.44 3deg n ASN 93 Cb 0.33 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.01 3deg n ASN 93 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 3deg h LYS 94 N 0.00 -0.48 -4.29 3.52 1.57 -1.72 -3.43 116.57 111.74 3deg h LYS 94 Ca 0.00 0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 58.31 3deg h LYS 94 Cb 0.00 0.11 -0.35 0.00 0.08 0.00 0.00 32.23 32.07 3deg h LYS 94 CO 0.00 -0.19 -0.80 0.34 -0.57 0.00 0.00 179.45 178.23 3deg s ASP 95 N -4.93 1.84 -0.15 0.86 2.15 -1.01 -5.12 116.67 110.31 3deg s ASP 95 Ca -0.15 -0.27 -0.25 0.00 0.43 0.00 0.00 52.55 52.32 3deg s ASP 95 Cb 0.03 -0.77 -0.02 0.00 -0.30 0.00 0.00 42.92 41.86 3deg s ASP 95 CO 0.56 -0.06 0.79 -0.54 -0.17 0.00 0.00 175.17 175.75 3deg s LYS 96 N 1.23 4.32 -0.06 4.34 3.01 -1.26 -4.67 119.74 126.66 3deg s LYS 96 Ca -0.04 0.95 0.12 0.00 -1.01 0.00 0.00 55.97 55.99 3deg s LYS 96 Cb -0.14 -3.55 -0.23 0.00 -1.01 0.00 0.00 37.83 32.90 3deg s LYS 96 CO -0.03 -0.24 0.62 0.28 0.51 0.00 0.00 175.35 176.49 3deg n VAL 97 N 4.55 1.61 -3.86 3.17 0.31 -1.07 -5.02 118.33 118.01 3deg n VAL 97 Ca 0.03 -0.79 -0.10 0.00 -0.01 0.00 0.00 64.34 63.46 3deg n VAL 97 Cb 0.49 -1.04 0.01 0.00 -0.91 0.00 0.00 33.84 32.40 3deg n VAL 97 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3deg s GLY 98 N -5.15 0.65 0.05 2.92 0.00 -1.25 -4.99 107.32 99.55 3deg s GLY 98 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.69 3deg s GLY 98 CO 0.82 -0.47 0.01 -1.59 0.00 0.00 0.00 173.10 171.87 3deg s LYS 99 N -2.32 0.58 -0.02 2.90 -2.85 -1.26 -2.62 119.74 114.14 3deg s LYS 99 Ca 0.19 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 3deg s LYS 99 Cb -0.04 0.21 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 3deg s LYS 99 CO 0.14 -0.12 0.01 0.42 0.10 0.00 0.00 175.35 175.90 3deg s ILE 100 N -3.31 0.07 0.48 3.79 -1.09 0.87 -4.56 121.20 117.45 3deg s ILE 100 Ca 0.01 0.12 -0.22 0.00 -2.23 0.00 0.00 60.65 58.33 3deg s ILE 100 Cb 0.03 -0.16 -0.07 0.00 -1.58 0.00 0.00 42.46 40.68 3deg s ILE 100 CO -0.08 0.10 1.13 -0.94 -1.23 0.00 0.00 174.94 173.92 3deg s SER 101 N 0.88 6.15 0.59 3.58 1.04 -1.26 -0.86 113.70 123.82 3deg s SER 101 Ca -0.08 2.20 0.28 0.00 0.48 0.00 0.00 55.95 58.83 3deg s SER 101 Cb -0.11 -2.59 1.63 0.00 0.10 0.00 0.00 66.02 65.04 3deg s SER 101 CO -0.02 -0.92 2.08 -0.09 0.98 0.00 0.00 173.24 175.26 3deg h ARG 102 N 1.85 0.00 -0.16 4.02 2.43 -1.75 -0.66 114.38 120.10 3deg h ARG 102 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3deg h ARG 102 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3deg h ARG 102 CO 0.60 0.00 0.07 0.00 -1.51 0.00 0.00 179.97 179.12 3deg h ALA 103 N 1.74 0.21 -0.72 2.80 0.00 -1.90 -2.34 119.26 119.05 3deg h ALA 103 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3deg h ALA 103 Cb 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3deg h ALA 103 CO -0.00 -0.20 0.23 1.96 0.00 0.00 0.00 179.25 181.24 3deg h GLN 104 N 0.11 1.11 -0.78 0.00 4.20 -1.50 -1.94 115.11 116.32 3deg h GLN 104 Ca 0.06 -0.24 0.12 0.00 0.06 0.00 0.00 58.65 58.65 3deg h GLN 104 Cb 0.17 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 3deg h GLN 104 CO -0.00 0.95 0.38 -0.07 -0.67 0.00 0.00 178.83 179.42 3deg h LEU 105 N 1.06 0.47 -0.30 1.46 3.38 -1.25 0.15 115.31 120.28 3deg h LEU 105 Ca 0.23 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3deg h LEU 105 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3deg h LEU 105 CO -0.01 0.23 0.11 -0.61 0.09 0.00 0.00 178.44 178.25 3deg h GLN 106 N 0.60 0.46 0.06 1.13 4.15 -0.94 -0.54 115.11 120.03 3deg h GLN 106 Ca 0.41 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.76 3deg h GLN 106 Cb 0.51 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3deg h GLN 106 CO -0.32 0.48 -0.28 0.93 -1.93 0.00 0.00 178.83 177.71 3deg h GLU 107 N 0.33 -0.45 -0.56 1.69 5.08 -0.27 0.18 114.58 120.58 3deg h GLU 107 Ca 0.10 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3deg h GLU 107 Cb 0.21 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3deg h GLU 107 CO -0.01 -0.30 0.37 0.82 -1.00 0.00 0.00 179.01 178.90 3deg h ILE 108 N -0.47 1.04 -0.09 3.13 2.04 -0.70 0.96 117.51 123.42 3deg h ILE 108 Ca 0.05 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 3deg h ILE 108 Cb 0.52 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3deg h ILE 108 CO -0.20 0.11 -0.33 0.00 0.00 0.00 0.00 178.15 177.73 3deg h ALA 109 N 1.68 1.28 -0.19 1.87 0.00 0.29 -1.73 119.26 122.46 3deg h ALA 109 Ca 0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3deg h ALA 109 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3deg h ALA 109 CO -0.06 0.50 -0.29 1.96 0.00 0.00 0.00 179.25 181.36 3deg h GLN 110 N 0.15 0.52 -0.20 0.00 4.20 0.17 -0.38 115.11 119.58 3deg h GLN 110 Ca 0.02 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 3deg h GLN 110 Cb 0.67 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3deg h GLN 110 CO 0.05 0.91 0.11 1.15 -0.67 0.00 0.00 178.83 180.39 3deg h THR 111 N 0.18 1.10 -0.00 -0.54 2.02 -1.01 -2.58 112.91 112.07 3deg h THR 111 Ca 0.02 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3deg h THR 111 Cb 0.87 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3deg h THR 111 CO 0.07 0.09 -0.05 0.29 0.37 0.00 0.00 175.52 176.29 3deg n LYS 112 N -4.90 0.81 -0.37 6.66 5.02 -0.67 -4.09 118.16 120.62 3deg n LYS 112 Ca -0.03 -0.20 0.32 0.00 -2.02 0.00 0.00 58.31 56.38 3deg n LYS 112 Cb 0.06 -1.50 0.64 0.00 -0.02 0.00 0.00 35.03 34.22 3deg n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3deg h ALA 113 N 3.75 2.75 -0.52 7.82 0.00 -0.63 0.25 119.26 132.67 3deg h ALA 113 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3deg h ALA 113 Cb 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3deg h ALA 113 CO 0.00 -1.18 0.20 0.00 0.00 0.00 0.00 179.25 178.27 3deg h ALA 114 N 1.50 0.67 0.00 0.00 0.00 -1.78 -3.02 119.26 116.63 3deg h ALA 114 Ca 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3deg h ALA 114 Cb 2.11 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3deg h ALA 114 CO -0.19 0.29 -0.75 -0.44 0.00 0.00 0.00 179.25 178.16 3deg h ASP 115 N 0.70 0.00 -4.06 0.00 3.32 -1.00 -3.47 116.42 111.91 3deg h ASP 115 Ca 0.17 -0.07 -0.45 0.00 0.02 0.00 0.00 57.03 56.71 3deg h ASP 115 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3deg h ASP 115 CO -0.01 0.03 0.35 -0.04 -1.72 0.00 0.00 179.24 177.85 3deg s MET 116 N -3.28 4.11 0.00 3.56 -1.94 0.56 -4.97 119.30 117.34 3deg s MET 116 Ca 0.03 1.19 0.24 0.00 -1.71 0.00 0.00 55.69 55.43 3deg s MET 116 Cb 0.10 -2.16 0.21 0.00 2.01 0.00 0.00 34.83 34.99 3deg s MET 116 CO 0.75 -0.14 1.22 0.25 -0.01 0.00 0.00 175.02 177.09 3deg n THR 117 N -0.72 0.00 -1.57 2.05 -2.24 -1.26 -4.90 114.28 105.64 3deg n THR 117 Ca 0.08 -0.19 -0.51 0.00 -2.27 0.00 0.00 64.05 61.15 3deg n THR 117 Cb 0.54 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 3deg n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3deg n GLY 118 N 1.41 0.14 0.19 3.38 0.00 -1.26 -4.88 105.19 104.17 3deg n GLY 118 Ca 0.10 0.62 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 3deg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3deg h ALA 119 N 3.77 0.41 -1.92 4.61 0.00 -1.95 -3.46 119.26 120.72 3deg h ALA 119 Ca -0.45 -0.63 -0.50 0.00 0.00 0.00 0.00 54.91 53.33 3deg h ALA 119 Cb 1.35 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 3deg h ALA 119 CO 0.72 0.73 -0.60 -0.51 0.00 0.00 0.00 179.25 179.60 3deg s ASP 120 N -7.07 2.62 0.30 0.00 1.01 -1.26 -5.04 116.67 107.22 3deg s ASP 120 Ca -0.08 -1.41 -0.00 0.00 0.71 0.00 0.00 52.55 51.78 3deg s ASP 120 Cb 0.09 -0.06 0.47 0.00 1.01 0.00 0.00 42.92 44.43 3deg s ASP 120 CO 0.88 -0.62 1.88 0.40 0.21 0.00 0.00 175.17 177.92 3deg h ILE 121 N 2.03 1.21 -0.43 0.77 2.04 -2.00 -2.52 117.51 118.61 3deg h ILE 121 Ca -0.41 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3deg h ILE 121 Cb 1.25 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3deg h ILE 121 CO 0.70 0.26 0.23 -0.33 0.00 0.00 0.00 178.15 179.01 3deg h GLU 122 N 0.81 0.60 0.51 2.37 3.07 -1.99 -2.23 114.58 117.72 3deg h GLU 122 Ca 0.19 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 3deg h GLU 122 Cb 0.18 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3deg h GLU 122 CO -0.02 0.49 -0.37 0.00 -1.40 0.00 0.00 179.01 177.71 3deg h ALA 123 N 1.08 -0.88 -0.85 3.43 0.00 -1.86 -1.59 119.26 118.59 3deg h ALA 123 Ca 0.15 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3deg h ALA 123 Cb 0.06 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3deg h ALA 123 CO -0.02 -1.02 0.55 0.00 0.00 0.00 0.00 179.25 178.76 3deg h MET 124 N -0.86 0.64 -0.63 0.00 -0.00 -1.44 0.08 114.93 112.72 3deg h MET 124 Ca -0.06 -0.04 -0.06 0.00 -0.00 0.00 0.00 59.70 59.55 3deg h MET 124 Cb 0.72 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.60 32.15 3deg h MET 124 CO 0.02 0.43 0.18 1.15 -0.00 0.00 0.00 176.91 178.68 3deg h THR 125 N 0.66 1.25 -0.88 -0.10 2.02 -1.01 -1.49 112.91 113.36 3deg h THR 125 Ca 0.42 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3deg h THR 125 Cb 0.67 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 3deg h THR 125 CO -0.18 0.34 0.58 0.03 0.37 0.00 0.00 175.52 176.66 3deg h ARG 126 N 0.92 1.14 -0.49 6.66 3.08 -0.02 -1.37 114.38 124.30 3deg h ARG 126 Ca 0.20 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3deg h ARG 126 Cb 0.32 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3deg h ARG 126 CO -0.00 0.76 0.16 0.77 -1.07 0.00 0.00 179.97 180.59 3deg h SER 127 N 1.18 0.71 -0.28 7.04 0.02 -0.92 -2.31 113.55 118.97 3deg h SER 127 Ca 0.33 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3deg h SER 127 Cb -0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3deg h SER 127 CO -0.08 0.72 0.16 0.40 -1.14 0.00 0.00 176.83 176.89 3deg h ILE 128 N 0.66 1.11 -0.64 3.27 1.08 -0.71 -1.50 117.51 120.77 3deg h ILE 128 Ca 0.16 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.30 3deg h ILE 128 Cb 0.26 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 3deg h ILE 128 CO -0.01 0.12 0.25 -0.33 -0.69 0.00 0.00 178.15 177.50 3deg h GLU 129 N 0.43 0.94 -0.43 2.37 5.08 -0.71 -2.33 114.58 119.93 3deg h GLU 129 Ca 0.11 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3deg h GLU 129 Cb 0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3deg h GLU 129 CO -0.02 0.77 0.23 0.78 -1.00 0.00 0.00 179.01 179.77 3deg h GLY 130 N 1.02 0.63 1.23 -3.84 0.00 -1.03 -1.20 103.07 99.89 3deg h GLY 130 Ca 0.22 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 3deg h GLY 130 CO -0.02 0.26 -0.49 -0.91 0.00 0.00 0.00 176.54 175.38 3deg h THR 131 N 0.60 1.28 -0.24 4.70 1.35 -1.38 -2.95 112.91 116.27 3deg h THR 131 Ca 0.15 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 3deg h THR 131 Cb 0.03 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3deg h THR 131 CO -0.02 0.55 0.06 0.00 -0.25 0.00 0.00 175.52 175.85 3deg h ALA 132 N 0.80 0.32 -0.08 6.62 0.00 -1.07 -2.58 119.26 123.28 3deg h ALA 132 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3deg h ALA 132 Cb 1.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3deg h ALA 132 CO 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 179.25 179.39 3deg h ARG 133 N 0.22 0.00 0.00 0.00 3.08 -1.25 -0.53 114.38 115.90 3deg h ARG 133 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3deg h ARG 133 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3deg h ARG 133 CO 0.00 0.00 -0.37 0.43 -1.07 0.00 0.00 179.97 178.96 3deg n SER 134 N -4.32 0.65 -0.53 7.04 7.64 -1.03 -3.77 113.62 119.31 3deg n SER 134 Ca -0.01 0.25 0.05 0.00 1.01 0.00 0.00 58.87 60.17 3deg n SER 134 Cb 0.17 -0.18 0.14 0.00 -1.01 0.00 0.00 64.21 63.33 3deg n SER 134 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3deg n MET 135 N -2.04 2.85 -2.28 1.43 0.00 -0.49 -4.74 117.12 111.85 3deg n MET 135 Ca 0.05 -2.07 -0.09 0.00 0.00 0.00 0.00 57.70 55.59 3deg n MET 135 Cb 0.42 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.34 3deg n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3deg n GLY 136 N 0.11 0.05 3.15 3.17 0.00 -0.85 -2.21 105.19 108.61 3deg n GLY 136 Ca 0.11 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3deg n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3deg s LEU 137 N -2.70 4.13 0.55 0.99 1.43 -0.33 -2.60 118.68 120.16 3deg s LEU 137 Ca 0.03 -1.44 -0.15 0.00 -1.03 0.00 0.00 54.13 51.54 3deg s LEU 137 Cb -0.02 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 3deg s LEU 137 CO 0.04 -0.31 1.01 -0.69 0.23 0.00 0.00 176.35 176.63 3deg s VAL 138 N 1.21 4.43 -0.10 -1.59 1.01 -1.08 -4.12 120.40 120.16 3deg s VAL 138 Ca -0.02 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.05 3deg s VAL 138 Cb -0.20 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3deg s VAL 138 CO -0.02 -0.75 -0.17 0.68 0.00 0.00 0.00 175.10 174.84 3deg s VAL 139 N -2.72 2.73 -0.36 2.92 -7.23 -1.26 -0.09 120.40 114.40 3deg s VAL 139 Ca 0.59 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.82 3deg s VAL 139 Cb -0.11 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 3deg s VAL 139 CO 0.37 0.55 0.34 -0.70 -0.31 0.00 0.00 175.10 175.35 3deg s GLU 140 N 0.14 3.44 0.00 4.82 2.56 -0.04 -4.90 118.70 124.73 3deg s GLU 140 Ca -0.09 -0.55 0.04 0.00 0.00 0.00 0.00 54.97 54.37 3deg s GLU 140 Cb -0.15 -3.84 0.03 0.00 2.00 0.00 0.00 34.13 32.17 3deg s GLU 140 CO 0.05 -0.57 0.62 -0.25 -0.56 0.00 0.00 175.26 174.56