#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur s THR 2 N 0.00 3.83 0.57 2.61 -4.23 -1.26 -4.97 115.64 112.18 1cur s THR 2 Ca 0.00 -1.01 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 1cur s THR 2 Cb 0.00 -4.82 -0.05 0.00 1.34 0.00 0.00 72.50 68.97 1cur s THR 2 CO 0.00 -1.64 1.17 0.18 -0.54 0.00 0.00 174.62 173.79 1cur n LEU 3 N 10.50 4.61 -4.77 4.79 4.32 -1.26 -4.76 117.00 130.43 1cur n LEU 3 Ca 0.40 0.90 -0.38 0.00 -0.02 0.00 0.00 56.01 56.91 1cur n LEU 3 Cb 0.48 -1.48 -0.04 0.00 -1.62 0.00 0.00 43.42 40.76 1cur n LEU 3 CO 0.68 -1.20 0.75 -0.62 -1.22 0.00 0.00 177.39 175.78 1cur s ASP 4 N -1.07 7.03 -0.03 -1.43 -1.08 0.77 -4.75 116.67 116.11 1cur s ASP 4 Ca 0.74 2.11 0.04 0.00 -0.52 0.00 0.00 52.55 54.91 1cur s ASP 4 Cb -0.43 -2.60 0.06 0.00 -1.46 0.00 0.00 42.92 38.49 1cur s ASP 4 CO 0.48 -0.30 1.01 0.35 0.52 0.00 0.00 175.17 177.22 1cur n THR 5 N 0.52 1.12 -1.53 1.71 -2.24 -1.26 -2.96 114.28 109.64 1cur n THR 5 Ca 0.02 -1.20 -0.40 0.00 -2.27 0.00 0.00 64.05 60.20 1cur n THR 5 Cb 0.48 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1cur n THR 5 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1cur n THR 6 N -0.66 3.59 -3.70 4.28 -1.04 -1.26 -4.93 114.28 110.56 1cur n THR 6 Ca 0.03 -2.74 -0.33 0.00 -2.04 0.00 0.00 64.05 58.97 1cur n THR 6 Cb 0.34 -2.58 -0.05 0.00 -1.82 0.00 0.00 70.33 66.22 1cur n THR 6 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1cur s TRP 7 N 2.99 3.54 0.24 -1.42 0.51 -1.26 -4.07 118.94 119.47 1cur s TRP 7 Ca 0.54 0.59 -0.10 0.00 -2.12 0.00 0.00 56.10 55.01 1cur s TRP 7 Cb 0.15 -2.01 -0.01 0.00 -0.81 0.00 0.00 33.47 30.79 1cur s TRP 7 CO -0.07 0.53 0.40 0.15 -0.51 0.00 0.00 176.95 177.46 1cur s LYS 8 N -2.13 1.48 -0.10 4.98 1.02 -0.84 -5.02 119.74 119.12 1cur s LYS 8 Ca 0.34 -1.34 0.02 0.00 0.02 0.00 0.00 55.97 55.00 1cur s LYS 8 Cb -0.13 0.43 0.01 0.00 -0.52 0.00 0.00 37.83 37.62 1cur s LYS 8 CO 0.20 -0.59 -0.16 -1.21 -0.92 0.00 0.00 175.35 172.67 1cur s GLU 9 N -4.03 2.29 0.00 1.68 2.02 -1.26 -0.55 118.70 118.85 1cur s GLU 9 Ca 0.26 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1cur s GLU 9 Cb 0.01 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1cur s GLU 9 CO 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 175.26 175.36 1cur n ALA 10 N 4.06 0.00 -2.34 5.21 0.00 0.46 -4.70 120.51 123.20 1cur n ALA 10 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1cur n ALA 10 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 1cur n ALA 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cur s THR 11 N 1.20 0.08 0.18 0.00 -4.23 -1.26 -0.27 115.64 111.33 1cur s THR 11 Ca 0.00 -1.77 -0.26 0.00 -1.18 0.00 0.00 61.69 58.48 1cur s THR 11 Cb 0.00 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.82 1cur s THR 11 CO 0.00 -0.35 1.50 -0.11 -0.54 0.00 0.00 174.62 175.12 1cur n LEU 12 N -0.16 -0.90 0.27 4.79 0.00 -0.46 -0.19 117.00 120.35 1cur n LEU 12 Ca -0.05 1.72 0.10 0.00 0.00 0.00 0.00 56.01 57.78 1cur n LEU 12 Cb 0.64 -0.28 0.71 0.00 0.00 0.00 0.00 43.42 44.49 1cur n LEU 12 CO 0.29 -1.45 1.08 1.55 0.00 0.00 0.00 177.39 178.86 1cur h PRO 13 N 0.00 0.00 0.00 1.96 0.13 -1.98 0.09 132.00 132.20 1cur h PRO 13 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 1cur h PRO 13 Cb 0.46 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1cur h PRO 13 CO -0.93 0.00 -0.15 1.96 -0.23 0.00 0.00 178.00 178.65 1cur h GLN 14 N 0.00 0.00 0.33 0.86 4.20 -0.99 -0.03 115.11 119.48 1cur h GLN 14 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1cur h GLN 14 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1cur h GLN 14 CO 0.00 0.15 -0.16 0.28 -0.67 0.00 0.00 178.83 178.44 1cur h VAL 15 N 0.00 0.70 -0.80 -0.54 2.07 -0.80 0.13 116.25 117.00 1cur h VAL 15 Ca -0.00 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.32 1cur h VAL 15 Cb 0.46 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 1cur h VAL 15 CO 0.02 0.06 0.43 0.11 0.02 0.00 0.00 177.57 178.22 1cur h LYS 16 N -0.61 0.68 0.29 1.57 1.57 -1.42 -0.54 116.57 118.12 1cur h LYS 16 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1cur h LYS 16 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1cur h LYS 16 CO 0.07 0.45 -0.17 0.00 -0.57 0.00 0.00 179.45 179.24 1cur h ALA 17 N 1.48 -1.04 -0.61 3.86 0.00 -0.86 -3.27 119.26 118.81 1cur h ALA 17 Ca 0.40 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.35 1cur h ALA 17 Cb 0.44 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 1cur h ALA 17 CO -0.28 -1.03 -0.16 0.52 0.00 0.00 0.00 179.25 178.30 1cur h MET 18 N -0.42 -0.01 -0.98 0.00 2.86 -0.27 -0.86 114.93 115.25 1cur h MET 18 Ca -0.04 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.87 1cur h MET 18 Cb 0.34 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.87 1cur h MET 18 CO 0.04 -0.01 0.54 -0.07 1.06 0.00 0.00 176.91 178.47 1cur h LEU 19 N -0.01 0.54 -0.11 1.22 3.38 -1.20 0.86 115.31 119.98 1cur h LEU 19 Ca 0.29 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1cur h LEU 19 Cb 0.45 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1cur h LEU 19 CO -0.63 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.28 1cur n GLU 20 N -4.98 0.02 -0.54 1.13 1.02 -0.33 -1.37 120.64 115.60 1cur n GLU 20 Ca 0.27 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.82 1cur n GLU 20 Cb 0.80 -1.55 0.30 0.00 -0.02 0.00 0.00 31.44 30.96 1cur n GLU 20 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cur n LYS 21 N -1.60 3.52 -1.86 3.49 4.01 0.29 -4.95 118.16 121.06 1cur n LYS 21 Ca 0.03 -2.82 -0.41 0.00 -0.51 0.00 0.00 58.31 54.60 1cur n LYS 21 Cb 0.14 -1.87 -0.03 0.00 -0.51 0.00 0.00 35.03 32.76 1cur n LYS 21 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1cur s ASP 22 N -1.35 5.43 -1.21 4.39 2.15 -0.47 -4.80 116.67 120.81 1cur s ASP 22 Ca 0.44 1.16 -0.20 0.00 0.43 0.00 0.00 52.55 54.38 1cur s ASP 22 Cb 0.33 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.46 1cur s ASP 22 CO 0.15 -2.10 1.72 0.42 -0.17 0.00 0.00 175.17 175.18 1cur s THR 23 N 8.54 3.96 -0.30 1.71 -4.23 0.20 -4.76 115.64 120.76 1cur s THR 23 Ca 0.84 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1cur s THR 23 Cb -0.21 -5.02 0.18 0.00 1.34 0.00 0.00 72.50 68.78 1cur s THR 23 CO 0.30 -1.80 1.00 -0.83 -0.54 0.00 0.00 174.62 172.74 1cur s GLY 24 N 4.90 -0.35 0.69 3.99 0.00 -1.26 -4.58 107.32 110.70 1cur s GLY 24 Ca 0.55 2.77 -0.11 0.00 0.00 0.00 0.00 44.72 47.93 1cur s GLY 24 CO 0.05 3.61 1.07 0.54 0.00 0.00 0.00 173.10 178.38 1cur s LYS 25 N 2.79 3.00 0.35 2.90 -0.14 0.11 -4.64 119.74 124.11 1cur s LYS 25 Ca 0.01 0.61 -0.28 0.00 -1.36 0.00 0.00 55.97 54.96 1cur s LYS 25 Cb -0.09 -2.02 -0.09 0.00 -1.68 0.00 0.00 37.83 33.94 1cur s LYS 25 CO -0.14 -0.97 1.23 0.08 -0.76 0.00 0.00 175.35 174.79 1cur s VAL 26 N -3.25 2.96 -0.42 3.17 1.01 -1.26 -0.56 120.40 122.05 1cur s VAL 26 Ca 0.57 0.91 0.08 0.00 0.00 0.00 0.00 61.98 63.55 1cur s VAL 26 Cb -0.12 -3.56 0.27 0.00 0.00 0.00 0.00 36.38 32.98 1cur s VAL 26 CO 0.53 0.17 0.73 -1.20 0.00 0.00 0.00 175.10 175.33 1cur n SER 27 N 0.59 -0.87 0.00 3.32 7.64 0.98 -4.74 113.62 120.54 1cur n SER 27 Ca 0.01 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1cur n SER 27 Cb 0.44 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1cur n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cur n GLY 28 N 1.17 0.52 1.30 0.23 0.00 -1.26 -0.70 105.19 106.45 1cur n GLY 28 Ca 0.17 0.57 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 1cur n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cur n ASP 29 N 5.50 3.44 -3.70 1.61 3.85 -1.26 -4.99 116.55 121.00 1cur n ASP 29 Ca 0.00 -3.42 -0.10 0.00 -0.71 0.00 0.00 54.79 50.56 1cur n ASP 29 Cb 0.00 -0.64 -0.04 0.00 -1.35 0.00 0.00 41.12 39.09 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1cur s THR 30 N -3.07 0.04 0.09 2.12 2.01 0.13 -4.25 115.64 112.69 1cur s THR 30 Ca 0.47 -0.70 0.10 0.00 0.31 0.00 0.00 61.69 61.86 1cur s THR 30 Cb 0.40 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1cur s THR 30 CO 0.06 -0.17 -0.27 -0.69 -0.69 0.00 0.00 174.62 172.86 1cur s VAL 31 N -3.85 2.19 -0.03 3.82 1.01 0.24 -0.01 120.40 123.77 1cur s VAL 31 Ca 0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.46 1cur s VAL 31 Cb 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1cur s VAL 31 CO -0.06 0.23 0.08 -0.89 0.00 0.00 0.00 175.10 174.46 1cur s THR 32 N -0.93 -0.01 0.00 3.92 2.01 0.28 -0.42 115.64 120.48 1cur s THR 32 Ca 0.13 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1cur s THR 32 Cb -0.10 -0.13 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1cur s THR 32 CO 0.04 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.98 1cur n TYR 33 N 3.25 -0.94 0.00 4.92 9.36 0.01 0.06 117.16 133.82 1cur n TYR 33 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 1cur n TYR 33 Cb 0.58 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.29 1cur n TYR 33 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1cur n SER 34 N -1.41 0.00 -4.77 2.98 7.64 -1.26 -4.72 113.62 112.08 1cur n SER 34 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1cur n SER 34 Cb 0.00 0.34 0.06 0.00 -1.01 0.00 0.00 64.21 63.60 1cur n SER 34 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cur s GLY 35 N -2.09 2.02 0.00 0.23 0.00 -1.26 -4.77 107.32 101.45 1cur s GLY 35 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 44.72 45.18 1cur s GLY 35 CO 0.00 0.81 2.01 0.28 0.00 0.00 0.00 173.10 176.20 1cur n LYS 36 N -2.69 1.02 -3.23 2.90 4.76 -1.26 -4.50 118.16 115.15 1cur n LYS 36 Ca 0.10 -0.06 -0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1cur n LYS 36 Cb 0.52 -1.08 -0.03 0.00 -1.84 0.00 0.00 35.03 32.60 1cur n LYS 36 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1cur s THR 37 N 0.14 -0.82 -0.90 -0.18 2.01 -1.26 -0.91 115.64 113.71 1cur s THR 37 Ca 0.04 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1cur s THR 37 Cb 0.02 -0.98 0.23 0.00 0.01 0.00 0.00 72.50 71.78 1cur s THR 37 CO 0.00 -0.12 0.83 -0.69 -0.69 0.00 0.00 174.62 173.95 1cur s VAL 38 N 2.70 5.11 -0.90 3.82 1.01 0.38 -4.90 120.40 127.63 1cur s VAL 38 Ca 0.12 -3.22 -0.23 0.00 0.00 0.00 0.00 61.98 58.64 1cur s VAL 38 Cb -0.12 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1cur s VAL 38 CO -0.26 -1.07 1.30 -2.28 0.00 0.00 0.00 175.10 172.79 1cur s HIS 39 N -0.73 2.59 0.35 5.22 5.04 -1.26 -0.39 115.29 126.11 1cur s HIS 39 Ca 0.24 -0.72 -0.00 0.00 -1.54 0.00 0.00 55.06 53.04 1cur s HIS 39 Cb -0.11 -4.57 -0.03 0.00 0.04 0.00 0.00 32.58 27.91 1cur s HIS 39 CO -0.09 -1.87 0.56 0.08 -2.34 0.00 0.00 174.74 171.08 1cur s VAL 40 N 4.67 5.09 -0.23 0.89 1.01 -0.01 -0.63 120.40 131.20 1cur s VAL 40 Ca 0.39 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1cur s VAL 40 Cb -0.04 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1cur s VAL 40 CO -0.02 -0.56 0.05 -0.69 0.00 0.00 0.00 175.10 173.88 1cur s VAL 41 N -2.32 0.64 -0.38 2.92 1.01 -1.26 -0.21 120.40 120.80 1cur s VAL 41 Ca 0.40 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1cur s VAL 41 Cb -0.10 -1.24 0.09 0.00 0.00 0.00 0.00 36.38 35.14 1cur s VAL 41 CO 0.36 -0.35 0.15 0.00 0.00 0.00 0.00 175.10 175.26 1cur s ALA 42 N 1.78 3.08 -0.40 5.51 0.00 0.35 -3.76 121.76 128.31 1cur s ALA 42 Ca 0.02 -2.27 -0.21 0.00 0.00 0.00 0.00 51.96 49.51 1cur s ALA 42 Cb -0.17 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.65 1cur s ALA 42 CO -0.14 -1.63 0.66 0.00 0.00 0.00 0.00 175.76 174.65 1cur s ALA 43 N 1.21 3.39 -0.59 0.00 0.00 0.33 -0.65 121.76 125.44 1cur s ALA 43 Ca 0.04 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1cur s ALA 43 Cb -0.22 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.70 1cur s ALA 43 CO -0.02 -1.61 0.86 0.00 0.00 0.00 0.00 175.76 174.98 1cur s ALA 44 N 2.83 3.22 -0.37 0.00 0.00 0.13 -0.15 121.76 127.42 1cur s ALA 44 Ca 0.24 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.30 1cur s ALA 44 Cb -0.14 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1cur s ALA 44 CO 0.18 -2.45 0.48 0.28 0.00 0.00 0.00 175.76 174.24 1cur n VAL 45 N 5.90 -7.10 -2.59 0.00 0.31 0.03 -3.88 118.33 110.99 1cur n VAL 45 Ca -0.03 0.63 -0.39 0.00 -0.01 0.00 0.00 64.34 64.53 1cur n VAL 45 Cb 0.46 -5.17 -0.05 0.00 -0.91 0.00 0.00 33.84 28.17 1cur n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1cur s LEU 46 N -2.21 4.48 -0.19 7.52 1.43 -1.26 -4.24 118.68 124.20 1cur s LEU 46 Ca 0.24 2.10 -0.32 0.00 -1.03 0.00 0.00 54.13 55.12 1cur s LEU 46 Cb -0.04 -3.77 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1cur s LEU 46 CO 0.71 -0.12 2.10 -0.81 0.23 0.00 0.00 176.35 178.46 1cur n PRO 47 N 0.96 1.88 0.00 1.29 -0.04 -1.26 -0.73 135.00 137.10 1cur n PRO 47 Ca 0.00 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1cur n PRO 47 Cb 0.47 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cur n GLY 48 N 5.47 3.76 3.80 0.55 0.00 -1.26 -5.11 105.19 112.40 1cur n GLY 48 Ca 0.30 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1cur n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 49 N 0.00 3.58 0.52 1.61 0.08 0.09 -5.04 117.98 118.82 1cur s PHE 49 Ca 0.00 1.65 -0.18 0.00 0.12 0.00 0.00 56.93 58.52 1cur s PHE 49 Cb 0.00 -2.84 -0.07 0.00 -0.57 0.00 0.00 43.02 39.54 1cur s PHE 49 CO 0.00 0.15 1.03 -1.25 -0.10 0.00 0.00 175.22 175.05 1cur s PRO 50 N -2.36 3.68 0.68 0.24 0.04 -1.26 -4.66 135.00 131.35 1cur s PRO 50 Ca 0.52 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1cur s PRO 50 Cb -0.16 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1cur s PRO 50 CO 0.20 -0.52 1.10 -0.06 0.04 0.00 0.00 177.00 177.76 1cur s PHE 51 N -2.25 2.66 -0.84 0.56 0.40 -1.26 -3.08 117.98 114.17 1cur s PHE 51 Ca 0.64 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 58.53 1cur s PHE 51 Cb -0.15 -3.12 0.30 0.00 0.51 0.00 0.00 43.02 40.57 1cur s PHE 51 CO 0.27 -1.65 1.26 -0.35 0.70 0.00 0.00 175.22 175.44 1cur n PRO 52 N -2.68 3.94 -2.98 0.24 -0.04 -1.26 -5.08 135.00 127.14 1cur n PRO 52 Ca 0.10 -4.69 -0.41 0.00 -0.04 0.00 0.00 63.50 58.46 1cur n PRO 52 Cb 0.52 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 1cur n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1cur s SER 53 N -2.27 6.83 -0.87 3.54 1.04 -1.18 -3.48 113.70 117.32 1cur s SER 53 Ca 0.40 1.01 -0.23 0.00 0.48 0.00 0.00 55.95 57.61 1cur s SER 53 Cb 0.17 -2.41 0.07 0.00 0.10 0.00 0.00 66.02 63.94 1cur s SER 53 CO -0.04 -0.36 1.25 -0.36 0.98 0.00 0.00 173.24 174.71 1cur s PHE 54 N 2.14 2.62 -0.33 5.02 0.08 -1.26 -0.79 117.98 125.45 1cur s PHE 54 Ca 0.34 -0.71 -0.28 0.00 0.12 0.00 0.00 56.93 56.40 1cur s PHE 54 Cb -0.16 -4.52 0.01 0.00 -0.57 0.00 0.00 43.02 37.78 1cur s PHE 54 CO 0.11 -1.83 1.01 -1.21 -0.10 0.00 0.00 175.22 173.20 1cur s GLU 55 N 4.52 4.00 -0.78 0.44 2.02 0.79 -0.14 118.70 129.55 1cur s GLU 55 Ca 0.36 0.89 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1cur s GLU 55 Cb -0.06 -3.75 0.19 0.00 0.10 0.00 0.00 34.13 30.61 1cur s GLU 55 CO -0.00 -0.89 0.61 0.08 0.02 0.00 0.00 175.26 175.08 1cur s VAL 56 N 3.54 3.74 0.00 2.63 1.01 0.93 -0.51 120.40 131.74 1cur s VAL 56 Ca 0.42 -3.81 0.00 0.00 0.00 0.00 0.00 61.98 58.59 1cur s VAL 56 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1cur s VAL 56 CO 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 175.10 174.25 1cur n HIS 57 N 2.46 0.00 -0.04 5.22 1.44 -1.25 -0.98 115.22 122.07 1cur n HIS 57 Ca 0.18 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.83 1cur n HIS 57 Cb 0.36 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.33 1cur n HIS 57 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1cur n ASP 58 N 0.00 0.40 -3.11 4.39 -0.08 -1.26 -5.01 116.55 111.88 1cur n ASP 58 Ca 0.00 0.18 -0.18 0.00 -1.51 0.00 0.00 54.79 53.29 1cur n ASP 58 Cb 0.00 0.66 -0.05 0.00 2.34 0.00 0.00 41.12 44.07 1cur n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cur n LYS 59 N -2.80 0.61 -3.84 -0.67 5.02 -0.15 -5.16 118.16 111.17 1cur n LYS 59 Ca -0.21 -2.49 -0.23 0.00 -2.02 0.00 0.00 58.31 53.36 1cur n LYS 59 Cb 1.01 1.46 -0.17 0.00 -0.02 0.00 0.00 35.03 37.31 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 60 N -3.10 0.79 -1.34 1.97 1.02 -1.26 -0.05 119.74 117.76 1cur s LYS 60 Ca 0.17 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 56.12 1cur s LYS 60 Cb 0.01 -1.05 0.02 0.00 -0.52 0.00 0.00 37.83 36.28 1cur s LYS 60 CO 0.12 -0.27 1.08 0.09 -0.92 0.00 0.00 175.35 175.45 1cur n ASN 61 N 4.97 -4.64 -4.27 2.83 3.02 0.80 -4.92 115.26 113.04 1cur n ASN 61 Ca -0.10 -0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 53.55 1cur n ASN 61 Cb 0.50 -4.83 0.17 0.00 -0.61 0.00 0.00 39.78 35.00 1cur n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1cur s PRO 62 N -6.08 0.90 -0.03 3.52 0.04 -1.26 -4.59 135.00 127.50 1cur s PRO 62 Ca 0.40 -0.55 -0.15 0.00 0.04 0.00 0.00 61.00 60.74 1cur s PRO 62 Cb -0.18 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1cur s PRO 62 CO 0.75 -2.18 0.40 0.99 0.04 0.00 0.00 177.00 177.00 1cur s THR 63 N -3.72 5.08 -0.06 1.26 2.01 -1.26 -3.91 115.64 115.03 1cur s THR 63 Ca 0.72 0.82 0.02 0.00 0.31 0.00 0.00 61.69 63.56 1cur s THR 63 Cb -0.04 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1cur s THR 63 CO 0.51 0.54 -0.09 -0.76 -0.69 0.00 0.00 174.62 174.13 1cur s LEU 64 N -0.75 3.07 -0.21 4.42 1.02 0.33 -0.59 118.68 125.97 1cur s LEU 64 Ca 0.23 -0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.29 1cur s LEU 64 Cb -0.16 -1.66 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1cur s LEU 64 CO 0.12 0.36 -0.07 -1.61 0.02 0.00 0.00 176.35 175.17 1cur s GLU 65 N -0.82 3.34 0.05 1.70 2.02 0.43 -0.28 118.70 125.15 1cur s GLU 65 Ca 0.12 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.53 1cur s GLU 65 Cb -0.11 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 1cur s GLU 65 CO 0.01 -0.16 -0.17 0.42 0.02 0.00 0.00 175.26 175.39 1cur s ILE 66 N 1.36 1.34 -0.06 -1.63 1.01 0.26 -0.81 121.20 122.67 1cur s ILE 66 Ca 0.04 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 1cur s ILE 66 Cb -0.14 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1cur s ILE 66 CO -0.04 0.02 1.37 -2.84 0.00 0.00 0.00 174.94 173.46 1cur s PRO 67 N -1.32 4.27 0.20 2.79 0.02 -1.26 -0.83 135.00 138.87 1cur s PRO 67 Ca 0.03 1.87 -0.32 0.00 0.02 0.00 0.00 61.00 62.61 1cur s PRO 67 Cb -0.09 -3.68 -0.15 0.00 0.02 0.00 0.00 34.50 30.61 1cur s PRO 67 CO 0.02 -0.63 1.27 0.00 -0.33 0.00 0.00 177.00 177.34 1cur n ALA 68 N 5.92 0.11 -0.95 -1.55 0.00 0.49 -1.03 120.51 123.49 1cur n ALA 68 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1cur n ALA 68 Cb 0.44 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1cur n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 69 N 2.08 0.88 3.75 0.00 0.00 0.24 -4.98 105.19 107.16 1cur n GLY 69 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur s ALA 70 N -3.62 2.83 -0.73 4.61 0.00 -0.20 -4.84 121.76 119.82 1cur s ALA 70 Ca 0.00 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 1cur s ALA 70 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1cur s ALA 70 CO 0.00 -1.20 1.38 0.99 0.00 0.00 0.00 175.76 176.93 1cur s THR 71 N -1.38 3.67 0.12 0.00 2.01 -0.09 -4.11 115.64 115.86 1cur s THR 71 Ca 0.70 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 1cur s THR 71 Cb -0.37 -4.77 -0.06 0.00 0.01 0.00 0.00 72.50 67.31 1cur s THR 71 CO 0.44 -1.71 0.99 -0.69 -0.69 0.00 0.00 174.62 172.95 1cur s VAL 72 N 6.26 4.40 -0.32 3.82 1.01 0.90 -0.47 120.40 136.01 1cur s VAL 72 Ca 0.40 2.00 -0.02 0.00 0.00 0.00 0.00 61.98 64.36 1cur s VAL 72 Cb -0.09 -4.28 0.12 0.00 0.00 0.00 0.00 36.38 32.14 1cur s VAL 72 CO 0.15 0.31 0.17 -1.81 0.00 0.00 0.00 175.10 173.92 1cur s ASP 73 N 0.00 3.29 -0.58 3.32 1.11 0.47 -0.34 116.67 123.94 1cur s ASP 73 Ca 0.47 -1.75 -0.28 0.00 0.18 0.00 0.00 52.55 51.17 1cur s ASP 73 Cb -0.24 -0.40 0.03 0.00 1.07 0.00 0.00 42.92 43.37 1cur s ASP 73 CO 0.31 -0.37 1.19 -0.69 1.18 0.00 0.00 175.17 176.78 1cur s VAL 74 N 1.56 4.02 -0.50 -1.27 1.01 -1.19 -0.83 120.40 123.21 1cur s VAL 74 Ca 0.13 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 1cur s VAL 74 Cb -0.20 -4.73 0.03 0.00 0.00 0.00 0.00 36.38 31.48 1cur s VAL 74 CO -0.18 -1.35 1.18 -0.89 0.00 0.00 0.00 175.10 173.86 1cur s THR 75 N 4.96 4.12 0.47 3.92 2.01 0.71 -3.18 115.64 128.65 1cur s THR 75 Ca 0.43 1.11 -0.20 0.00 0.31 0.00 0.00 61.69 63.33 1cur s THR 75 Cb -0.07 -4.60 -0.09 0.00 0.01 0.00 0.00 72.50 67.75 1cur s THR 75 CO 0.25 -1.07 1.01 -0.36 -0.69 0.00 0.00 174.62 173.75 1cur s PHE 76 N 4.71 3.13 -0.48 4.92 0.08 0.23 -0.50 117.98 130.07 1cur s PHE 76 Ca 0.48 1.58 0.07 0.00 0.12 0.00 0.00 56.93 59.19 1cur s PHE 76 Cb -0.08 -2.98 0.26 0.00 -0.57 0.00 0.00 43.02 39.66 1cur s PHE 76 CO 0.30 -0.56 0.62 -0.89 -0.10 0.00 0.00 175.22 174.59 1cur n ILE 77 N -0.91 0.47 -3.33 0.64 -0.00 0.17 -3.20 119.36 113.20 1cur n ILE 77 Ca 0.08 -4.50 -0.43 0.00 -0.00 0.00 0.00 62.75 57.91 1cur n ILE 77 Cb 0.53 -1.89 -0.01 0.00 -0.00 0.00 0.00 39.64 38.27 1cur n ILE 77 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1cur n ASN 78 N 1.10 5.43 -0.22 4.38 5.15 -1.18 -0.69 115.26 129.23 1cur n ASN 78 Ca 0.25 -3.14 0.10 0.00 -0.60 0.00 0.00 54.58 51.19 1cur n ASN 78 Cb 0.49 -1.29 0.16 0.00 -0.53 0.00 0.00 39.78 38.62 1cur n ASN 78 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1cur n THR 79 N 2.31 1.96 -2.07 -0.44 -2.24 -1.26 -4.72 114.28 107.82 1cur n THR 79 Ca 0.24 -2.23 -0.40 0.00 -2.27 0.00 0.00 64.05 59.40 1cur n THR 79 Cb 0.38 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1cur n THR 79 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1cur s ASN 80 N -2.73 5.54 0.16 3.42 3.84 -1.25 -4.75 114.94 119.16 1cur s ASN 80 Ca 0.34 0.61 -0.33 0.00 0.21 0.00 0.00 52.86 53.69 1cur s ASN 80 Cb 0.29 -2.53 -0.16 0.00 -0.55 0.00 0.00 41.25 38.30 1cur s ASN 80 CO 0.04 -2.12 1.08 0.29 -2.79 0.00 0.00 177.10 173.60 1cur n LYS 81 N 8.90 0.93 0.00 0.43 5.02 -1.26 -1.63 118.16 130.55 1cur n LYS 81 Ca 0.20 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1cur n LYS 81 Cb 0.50 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1cur n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cur n GLY 82 N 1.92 1.32 2.68 0.72 0.00 -1.26 -4.78 105.19 105.79 1cur n GLY 82 Ca 0.16 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1cur n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cur n PHE 83 N 0.00 3.11 -1.67 1.61 3.01 -0.65 -4.89 117.46 117.98 1cur n PHE 83 Ca 0.00 -2.87 -0.22 0.00 1.01 0.00 0.00 57.45 55.38 1cur n PHE 83 Cb 0.00 -2.44 -0.06 0.00 -0.01 0.00 0.00 39.48 36.97 1cur n PHE 83 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1cur s GLY 84 N 3.17 -0.53 1.47 1.37 0.00 -1.24 -4.46 107.32 107.11 1cur s GLY 84 Ca 0.52 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 1cur s GLY 84 CO -0.06 4.05 0.90 0.30 0.00 0.00 0.00 173.10 178.28 1cur s HIS 85 N 13.21 -0.94 0.02 1.90 3.76 -1.26 -4.47 115.29 127.50 1cur s HIS 85 Ca 0.88 0.54 0.01 0.00 -0.15 0.00 0.00 55.06 56.34 1cur s HIS 85 Cb -0.13 -2.81 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 1cur s HIS 85 CO 0.11 -5.22 -0.05 -1.54 -0.85 0.00 0.00 174.74 167.19 1cur s SER 86 N -3.12 0.51 -0.28 1.40 1.04 -1.25 -4.17 113.70 107.82 1cur s SER 86 Ca 0.68 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1cur s SER 86 Cb -0.12 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.12 1cur s SER 86 CO 0.57 -0.19 0.03 0.12 0.98 0.00 0.00 173.24 174.75 1cur s PHE 87 N -1.13 2.40 -0.12 5.02 2.19 -1.22 -3.89 117.98 121.23 1cur s PHE 87 Ca -0.10 -1.99 0.03 0.00 0.33 0.00 0.00 56.93 55.20 1cur s PHE 87 Cb -0.08 -1.92 0.01 0.00 -1.31 0.00 0.00 43.02 39.72 1cur s PHE 87 CO -0.00 -0.84 -0.22 -0.51 1.83 0.00 0.00 175.22 175.47 1cur s ASP 88 N 1.38 3.02 -0.19 6.13 -0.00 0.48 -0.30 116.67 127.18 1cur s ASP 88 Ca 0.04 -0.57 -0.12 0.00 -0.00 0.00 0.00 52.55 51.91 1cur s ASP 88 Cb -0.18 -1.39 -0.05 0.00 -0.00 0.00 0.00 42.92 41.30 1cur s ASP 88 CO -0.13 0.11 0.20 -0.63 -0.00 0.00 0.00 175.17 174.71 1cur s ILE 89 N 0.63 5.37 0.00 0.77 1.01 0.74 -0.64 121.20 129.07 1cur s ILE 89 Ca -0.12 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1cur s ILE 89 Cb -0.17 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1cur s ILE 89 CO 0.03 0.41 0.00 1.07 0.00 0.00 0.00 174.94 176.45 1cur n THR 90 N 3.59 0.00 0.00 2.92 5.66 0.36 -0.80 114.28 126.01 1cur n THR 90 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1cur n THR 90 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1cur n THR 90 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cur n LYS 91 N 0.00 0.00 0.00 1.09 5.02 -1.26 -0.31 118.16 122.70 1cur n LYS 91 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cur n LYS 91 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1cur n LYS 91 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cur n LYS 92 N -0.20 0.00 -3.60 1.97 5.02 -1.26 -4.53 118.16 115.56 1cur n LYS 92 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1cur n LYS 92 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1cur n LYS 92 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1cur s GLY 93 N 0.00 -0.31 0.54 0.72 0.00 -1.26 -5.07 107.32 101.94 1cur s GLY 93 Ca 0.00 1.46 -0.16 0.00 0.00 0.00 0.00 44.72 46.01 1cur s GLY 93 CO 0.00 0.46 1.01 2.56 0.00 0.00 0.00 173.10 177.14 1cur s PRO 94 N -2.39 3.72 0.40 2.90 0.04 -1.26 -4.07 135.00 134.33 1cur s PRO 94 Ca 0.10 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.95 1cur s PRO 94 Cb 0.00 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1cur s PRO 94 CO -0.04 -0.47 1.10 -1.25 0.04 0.00 0.00 177.00 176.38 1cur s PRO 95 N -4.05 4.13 0.72 0.56 0.04 -1.26 -5.14 135.00 129.99 1cur s PRO 95 Ca 0.61 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 1cur s PRO 95 Cb -0.12 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1cur s PRO 95 CO 0.33 -0.21 1.09 0.71 0.04 0.00 0.00 177.00 178.96 1cur s TYR 96 N -1.53 3.23 0.38 0.56 1.51 -1.26 -5.01 117.35 115.24 1cur s TYR 96 Ca 0.57 1.13 -0.25 0.00 -1.01 0.00 0.00 57.07 57.51 1cur s TYR 96 Cb -0.26 -3.03 -0.09 0.00 -0.11 0.00 0.00 41.96 38.47 1cur s TYR 96 CO 0.33 -1.26 1.05 0.00 -1.11 0.00 0.00 175.55 174.56 1cur s ALA 97 N -3.27 3.13 0.03 3.71 0.00 -1.26 -3.96 121.76 120.15 1cur s ALA 97 Ca 0.58 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 1cur s ALA 97 Cb -0.12 -3.28 -0.17 0.00 0.00 0.00 0.00 23.12 19.55 1cur s ALA 97 CO 0.53 -0.20 1.45 0.28 0.00 0.00 0.00 175.76 177.82 1cur h VAL 98 N 2.32 1.25 -4.05 0.00 2.07 -1.95 -3.27 116.25 112.63 1cur h VAL 98 Ca -0.48 -0.75 -0.45 0.00 0.82 0.00 0.00 66.70 65.84 1cur h VAL 98 Cb 1.21 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1cur h VAL 98 CO 0.63 0.20 0.35 -0.04 0.02 0.00 0.00 177.57 178.73 1cur s MET 99 N -4.95 4.16 -1.03 1.57 -1.94 -1.26 -0.50 119.30 115.34 1cur s MET 99 Ca -0.15 1.20 -0.21 0.00 -1.71 0.00 0.00 55.69 54.82 1cur s MET 99 Cb 0.04 -2.21 -0.09 0.00 2.01 0.00 0.00 34.83 34.58 1cur s MET 99 CO 0.68 -0.10 1.95 -0.35 -0.01 0.00 0.00 175.02 177.19 1cur n PRO 100 N -0.62 1.89 -1.06 2.03 -0.04 -1.25 -4.77 135.00 131.18 1cur n PRO 100 Ca 0.07 -2.26 -0.20 0.00 -0.04 0.00 0.00 63.50 61.07 1cur n PRO 100 Cb 0.53 -3.24 -0.12 0.00 -0.04 0.00 0.00 33.50 30.63 1cur n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cur n VAL 101 N 6.39 3.31 -1.95 0.52 0.31 -1.26 -4.76 118.33 120.88 1cur n VAL 101 Ca 0.49 -1.78 -0.42 0.00 -0.01 0.00 0.00 64.34 62.61 1cur n VAL 101 Cb 0.42 -2.18 -0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1cur n VAL 101 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1cur n ILE 102 N 2.88 3.97 0.00 2.52 -5.35 -1.26 -4.68 119.36 117.44 1cur n ILE 102 Ca 0.53 -3.60 0.00 0.00 -0.27 0.00 0.00 62.75 59.40 1cur n ILE 102 Cb 0.67 -2.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.09 1cur n ILE 102 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1cur n ASP 103 N 4.77 0.00 -3.00 7.28 9.92 -1.26 -4.47 116.55 129.79 1cur n ASP 103 Ca 0.50 0.21 -0.29 0.00 -0.53 0.00 0.00 54.79 54.67 1cur n ASP 103 Cb 0.36 -0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 1cur n ASP 103 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1cur n PRO 104 N -1.87 2.96 -2.61 -0.24 -0.04 -1.26 -4.89 135.00 127.04 1cur n PRO 104 Ca 0.00 -1.76 -0.42 0.00 -0.04 0.00 0.00 63.50 61.28 1cur n PRO 104 Cb 0.00 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.89 1cur n PRO 104 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1cur s ILE 105 N 2.20 4.61 0.00 0.52 -1.09 -1.26 -4.58 121.20 121.60 1cur s ILE 105 Ca 0.62 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.92 1cur s ILE 105 Cb 0.19 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1cur s ILE 105 CO -0.04 0.04 0.00 0.52 -1.23 0.00 0.00 174.94 174.23 1cur n VAL 106 N 4.40 0.00 -3.19 2.92 0.31 0.02 -0.83 118.33 121.96 1cur n VAL 106 Ca 0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.20 1cur n VAL 106 Cb 0.48 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 1cur n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cur s ALA 107 N -4.04 3.91 0.00 3.52 0.00 -1.19 -3.15 121.76 120.80 1cur s ALA 107 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1cur s ALA 107 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1cur s ALA 107 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1cur n GLY 108 N -1.90 -1.76 3.06 0.00 0.00 -1.26 -0.19 105.19 103.13 1cur n GLY 108 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 1cur n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cur s THR 109 N -2.09 0.94 0.00 2.61 -4.23 0.59 -0.16 115.64 113.29 1cur s THR 109 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1cur s THR 109 Cb 0.00 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.05 1cur s THR 109 CO 0.00 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1cur n GLY 110 N 2.92 -0.11 3.63 3.99 0.00 -1.15 -3.39 105.19 111.07 1cur n GLY 110 Ca -0.15 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1cur n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 111 N 0.00 2.77 0.35 1.61 0.08 -1.26 -3.97 117.98 117.56 1cur s PHE 111 Ca 0.00 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 56.82 1cur s PHE 111 Cb 0.00 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.05 1cur s PHE 111 CO 0.00 0.52 0.64 -1.54 -0.10 0.00 0.00 175.22 174.73 1cur s SER 112 N -2.89 6.43 -0.69 1.36 1.04 -1.26 -5.01 113.70 112.68 1cur s SER 112 Ca 0.26 0.82 -0.26 0.00 0.48 0.00 0.00 55.95 57.25 1cur s SER 112 Cb -0.09 -2.19 -0.00 0.00 0.10 0.00 0.00 66.02 63.83 1cur s SER 112 CO 0.17 -0.30 1.66 -2.16 0.98 0.00 0.00 173.24 173.59 1cur s PRO 113 N -3.84 2.84 -0.29 4.02 0.04 -1.26 -4.79 135.00 131.72 1cur s PRO 113 Ca 0.46 0.19 -0.40 0.00 0.04 0.00 0.00 61.00 61.29 1cur s PRO 113 Cb -0.10 -4.41 -0.18 0.00 0.04 0.00 0.00 34.50 29.84 1cur s PRO 113 CO 0.33 -2.57 1.26 0.28 0.04 0.00 0.00 177.00 176.34 1cur n VAL 114 N 6.98 0.00 -1.47 -0.36 0.31 -1.26 -4.56 118.33 117.97 1cur n VAL 114 Ca 0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.17 1cur n VAL 114 Cb 0.51 -0.29 0.08 0.00 -0.91 0.00 0.00 33.84 33.22 1cur n VAL 114 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1cur s PRO 115 N 1.74 2.38 0.50 5.55 0.04 -1.26 -5.01 135.00 138.95 1cur s PRO 115 Ca 0.89 1.40 0.06 0.00 0.04 0.00 0.00 61.00 63.39 1cur s PRO 115 Cb -1.27 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1cur s PRO 115 CO 0.65 -1.58 0.36 0.15 0.04 0.00 0.00 177.00 176.63 1cur s LYS 116 N -4.34 2.29 -0.68 4.56 -0.14 -1.26 -4.98 119.74 115.19 1cur s LYS 116 Ca 0.66 -1.93 -0.31 0.00 -1.36 0.00 0.00 55.97 53.04 1cur s LYS 116 Cb -0.21 -2.11 -0.18 0.00 -1.68 0.00 0.00 37.83 33.65 1cur s LYS 116 CO 0.48 -0.47 2.09 -3.47 -0.76 0.00 0.00 175.35 173.22 1cur n ASP 117 N -1.64 0.40 0.00 2.83 4.64 -1.26 -0.67 116.55 120.85 1cur n ASP 117 Ca -0.01 0.32 0.00 0.00 -1.38 0.00 0.00 54.79 53.72 1cur n ASP 117 Cb 0.64 -0.77 0.00 0.00 -1.04 0.00 0.00 41.12 39.95 1cur n ASP 117 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1cur n GLY 118 N 5.83 2.61 3.87 0.27 0.00 -1.26 -5.02 105.19 111.50 1cur n GLY 118 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 1cur n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 119 N -0.01 3.76 -0.33 1.61 1.02 0.15 -1.36 119.74 124.59 1cur s LYS 119 Ca 0.00 0.56 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 1cur s LYS 119 Cb 0.00 -2.31 0.12 0.00 -0.52 0.00 0.00 37.83 35.13 1cur s LYS 119 CO 0.00 -0.16 0.18 -0.06 -0.92 0.00 0.00 175.35 174.38 1cur s PHE 120 N -2.56 0.63 -0.24 3.18 0.40 0.62 -4.42 117.98 115.59 1cur s PHE 120 Ca 0.53 -1.36 -0.36 0.00 -0.60 0.00 0.00 56.93 55.13 1cur s PHE 120 Cb -0.10 -0.96 -0.13 0.00 0.51 0.00 0.00 43.02 42.34 1cur s PHE 120 CO 0.36 -0.83 1.96 0.41 0.70 0.00 0.00 175.22 177.82 1cur n GLY 121 N 4.52 0.92 3.22 4.36 0.00 -1.26 -0.40 105.19 116.55 1cur n GLY 121 Ca 0.04 0.91 -0.17 0.00 0.00 0.00 0.00 46.02 46.80 1cur n GLY 121 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cur s TYR 122 N 5.22 1.30 -0.12 1.61 1.13 0.29 -3.09 117.35 123.69 1cur s TYR 122 Ca 1.01 -0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 56.04 1cur s TYR 122 Cb -0.86 -0.69 0.06 0.00 -1.10 0.00 0.00 41.96 39.38 1cur s TYR 122 CO 0.55 0.10 0.22 0.99 -2.51 0.00 0.00 175.55 174.90 1cur s THR 123 N -2.22 -0.35 -0.92 -3.49 2.01 -1.19 -1.99 115.64 107.49 1cur s THR 123 Ca 0.08 0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 1cur s THR 123 Cb -0.04 -0.41 0.19 0.00 0.01 0.00 0.00 72.50 72.24 1cur s THR 123 CO 0.02 0.09 0.99 -1.81 -0.69 0.00 0.00 174.62 173.22 1cur s ASP 124 N 2.36 6.79 -0.21 3.53 1.11 -1.26 -0.60 116.67 128.41 1cur s ASP 124 Ca 0.03 -2.57 -0.20 0.00 0.18 0.00 0.00 52.55 49.99 1cur s ASP 124 Cb -0.12 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 1cur s ASP 124 CO -0.08 -0.74 0.61 0.72 1.18 0.00 0.00 175.17 176.86 1cur s PHE 125 N 1.07 3.36 0.23 4.23 -0.71 -1.19 -4.92 117.98 120.05 1cur s PHE 125 Ca 0.27 0.88 -0.25 0.00 -1.04 0.00 0.00 56.93 56.79 1cur s PHE 125 Cb -0.07 -2.79 -0.09 0.00 -1.21 0.00 0.00 43.02 38.86 1cur s PHE 125 CO -0.08 -0.19 0.83 0.99 -1.34 0.00 0.00 175.22 175.42 1cur s THR 126 N 1.97 4.33 0.06 -4.49 2.01 -1.26 -3.15 115.64 115.11 1cur s THR 126 Ca 0.28 1.69 -0.15 0.00 0.31 0.00 0.00 61.69 63.81 1cur s THR 126 Cb -0.16 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1cur s THR 126 CO 0.10 0.36 0.35 0.86 -0.69 0.00 0.00 174.62 175.59 1cur s TRP 127 N -1.35 -0.16 -0.25 4.92 -0.00 0.54 -4.99 118.94 117.65 1cur s TRP 127 Ca 0.42 0.02 0.02 0.00 -0.00 0.00 0.00 56.10 56.55 1cur s TRP 127 Cb -0.21 0.15 0.06 0.00 -0.00 0.00 0.00 33.47 33.48 1cur s TRP 127 CO 0.25 -0.55 -0.06 -1.01 -0.00 0.00 0.00 176.95 175.58 1cur s HIS 128 N -2.76 2.74 0.15 5.86 3.76 -1.26 -0.07 115.29 123.71 1cur s HIS 128 Ca -0.04 -2.02 -0.16 0.00 -0.15 0.00 0.00 55.06 52.69 1cur s HIS 128 Cb -0.00 -1.79 -0.07 0.00 1.11 0.00 0.00 32.58 31.82 1cur s HIS 128 CO -0.05 -0.82 0.57 -1.25 -0.85 0.00 0.00 174.74 172.34 1cur s PRO 129 N 1.28 4.04 0.23 8.40 0.04 -1.26 -4.89 135.00 142.84 1cur s PRO 129 Ca -0.05 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 1cur s PRO 129 Cb -0.19 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1cur s PRO 129 CO -0.07 0.49 0.43 0.95 0.04 0.00 0.00 177.00 178.84 1cur s THR 130 N -1.43 5.16 0.62 1.26 -4.23 -1.26 -0.59 115.64 115.17 1cur s THR 130 Ca 0.37 -0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 60.39 1cur s THR 130 Cb -0.16 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 1cur s THR 130 CO 0.19 -0.23 1.30 0.00 -0.54 0.00 0.00 174.62 175.34 1cur s ALA 131 N -1.94 2.49 0.00 3.99 0.00 -1.26 -4.69 121.76 120.34 1cur s ALA 131 Ca 0.39 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1cur s ALA 131 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1cur s ALA 131 CO 0.30 -1.50 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1cur n GLY 132 N 0.82 0.27 3.36 0.00 0.00 0.48 -4.95 105.19 105.17 1cur n GLY 132 Ca 0.14 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1cur n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cur s THR 133 N 0.00 0.01 0.39 2.61 2.01 -1.26 -0.69 115.64 118.70 1cur s THR 133 Ca 0.00 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1cur s THR 133 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1cur s THR 133 CO 0.00 -0.03 0.09 -0.31 -0.69 0.00 0.00 174.62 173.67 1cur s TYR 134 N -0.05 1.87 0.03 4.92 1.51 0.35 -4.92 117.35 121.06 1cur s TYR 134 Ca -0.02 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 54.94 1cur s TYR 134 Cb -0.03 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 1cur s TYR 134 CO 0.02 -0.13 -0.09 0.71 -1.11 0.00 0.00 175.55 174.96 1cur s TYR 135 N -3.21 0.75 -0.03 2.71 1.51 0.58 -0.30 117.35 119.36 1cur s TYR 135 Ca 0.27 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1cur s TYR 135 Cb 0.05 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.42 1cur s TYR 135 CO 0.14 -0.04 -0.03 1.52 -1.11 0.00 0.00 175.55 176.03 1cur s TYR 136 N -1.02 3.01 0.15 2.71 1.13 0.00 -0.48 117.35 122.85 1cur s TYR 136 Ca -0.05 0.05 -0.05 0.00 -1.41 0.00 0.00 57.07 55.61 1cur s TYR 136 Cb -0.08 -1.68 -0.02 0.00 -1.10 0.00 0.00 41.96 39.08 1cur s TYR 136 CO 0.01 0.41 0.17 0.14 -2.51 0.00 0.00 175.55 173.77 1cur s VAL 137 N -0.97 0.08 -0.07 -3.49 -7.23 0.19 -2.48 120.40 106.43 1cur s VAL 137 Ca 0.16 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.75 1cur s VAL 137 Cb -0.11 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 1cur s VAL 137 CO 0.06 -0.38 -0.23 0.00 -0.31 0.00 0.00 175.10 174.25 1cur h GLN 139 N 6.08 -0.09 -5.98 0.00 4.20 -1.95 -3.11 115.11 114.26 1cur h GLN 139 Ca -0.32 0.01 -0.86 0.00 0.06 0.00 0.00 58.65 57.53 1cur h GLN 139 Cb 1.18 0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.00 1cur h GLN 139 CO 0.48 0.14 0.57 -0.89 -0.67 0.00 0.00 178.83 178.46 1cur n ILE 140 N -5.03 0.00 -1.03 2.54 5.41 -1.26 -3.93 119.36 116.07 1cur n ILE 140 Ca -0.08 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.27 1cur n ILE 140 Cb 0.16 -0.40 -0.06 0.00 -0.71 0.00 0.00 39.64 38.62 1cur n ILE 140 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cur n PRO 141 N 3.51 0.00 0.00 0.38 -0.02 -1.26 -1.20 135.00 136.42 1cur n PRO 141 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1cur n PRO 141 Cb -0.03 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1cur n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 142 N 2.33 2.92 0.51 -1.23 0.00 0.34 -4.90 105.19 105.15 1cur n GLY 142 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1cur n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1cur h HIS 143 N 0.00 -1.44 -0.25 1.61 3.86 -1.41 0.53 115.15 118.06 1cur h HIS 143 Ca 0.00 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1cur h HIS 143 Cb 0.00 0.56 -0.08 0.00 1.06 0.00 0.00 27.41 28.96 1cur h HIS 143 CO 0.00 -0.68 -0.40 0.00 0.86 0.00 0.00 177.93 177.72 1cur h ALA 144 N -0.87 -0.46 -0.46 2.45 0.00 -1.71 0.14 119.26 118.36 1cur h ALA 144 Ca -0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1cur h ALA 144 Cb 0.88 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1cur h ALA 144 CO -0.08 -0.86 0.18 0.00 0.00 0.00 0.00 179.25 178.49 1cur h ALA 145 N 0.34 0.56 0.13 0.00 0.00 -1.54 -3.17 119.26 115.58 1cur h ALA 145 Ca 0.11 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 1cur h ALA 145 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1cur h ALA 145 CO -0.46 -0.20 -1.24 1.79 0.00 0.00 0.00 179.25 179.14 1cur h THR 146 N 0.37 1.43 0.00 0.00 1.35 -0.65 -3.41 112.91 112.01 1cur h THR 146 Ca 0.21 -2.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1cur h THR 146 Cb 0.19 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1cur h THR 146 CO -0.20 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1cur n GLY 147 N 1.47 0.00 2.53 5.82 0.00 -0.52 -5.04 105.19 109.45 1cur n GLY 147 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1cur n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1cur n MET 148 N 0.00 3.23 -3.76 1.61 0.00 0.39 -4.81 117.12 113.78 1cur n MET 148 Ca 0.00 -2.38 -0.07 0.00 0.00 0.00 0.00 57.70 55.25 1cur n MET 148 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 33.22 30.16 1cur n MET 148 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1cur s PHE 149 N 2.74 -0.24 -0.00 1.12 -0.71 -1.26 -3.17 117.98 116.46 1cur s PHE 149 Ca 0.58 -0.14 -0.30 0.00 -1.04 0.00 0.00 56.93 56.03 1cur s PHE 149 Cb 0.16 0.67 0.11 0.00 -1.21 0.00 0.00 43.02 42.75 1cur s PHE 149 CO -0.07 -1.07 1.23 0.20 -1.34 0.00 0.00 175.22 174.17 1cur s GLY 150 N -2.88 -0.38 0.19 1.99 0.00 -1.04 -4.63 107.32 100.57 1cur s GLY 150 Ca 0.09 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 45.43 1cur s GLY 150 CO 0.02 0.13 0.44 0.54 0.00 0.00 0.00 173.10 174.23 1cur s LYS 151 N -2.55 3.63 -0.42 2.90 1.02 -1.25 -0.82 119.74 122.25 1cur s LYS 151 Ca 0.14 -0.07 0.03 0.00 0.02 0.00 0.00 55.97 56.08 1cur s LYS 151 Cb 0.04 -2.78 0.12 0.00 -0.52 0.00 0.00 37.83 34.69 1cur s LYS 151 CO -0.03 0.39 0.18 0.42 -0.92 0.00 0.00 175.35 175.38 1cur s ILE 152 N -1.80 1.83 0.15 2.17 1.01 0.59 -0.51 121.20 124.65 1cur s ILE 152 Ca 0.42 -2.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.26 1cur s ILE 152 Cb -0.12 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 1cur s ILE 152 CO 0.26 -0.76 0.94 -0.69 0.00 0.00 0.00 174.94 174.69 1cur s VAL 153 N 0.52 4.36 -0.08 2.92 1.01 0.61 -0.50 120.40 129.24 1cur s VAL 153 Ca 0.15 2.06 0.02 0.00 0.00 0.00 0.00 61.98 64.20 1cur s VAL 153 Cb -0.22 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.85 1cur s VAL 153 CO -0.06 0.39 -0.13 -0.69 0.00 0.00 0.00 175.10 174.60 1cur s VAL 154 N -0.44 1.27 0.00 2.92 1.01 0.13 -0.57 120.40 124.72 1cur s VAL 154 Ca 0.44 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1cur s VAL 154 Cb -0.24 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1cur s VAL 154 CO 0.30 0.39 0.20 0.29 0.00 0.00 0.00 175.10 176.28