#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cur h THR 2 N 0.00 0.37 -1.02 2.61 1.35 -2.01 0.23 112.91 114.44 1cur h THR 2 Ca 0.00 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 66.11 1cur h THR 2 Cb 0.00 0.60 -0.11 0.00 -1.73 0.00 0.00 68.15 66.90 1cur h THR 2 CO 0.00 0.00 0.63 -0.07 -0.25 0.00 0.00 175.52 175.83 1cur h LEU 3 N 0.00 0.59 -8.48 3.87 4.07 -1.96 -3.39 115.31 110.01 1cur h LEU 3 Ca 0.23 0.11 -0.28 0.00 0.08 0.00 0.00 57.88 58.03 1cur h LEU 3 Cb 1.26 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1cur h LEU 3 CO -0.00 0.10 1.00 -0.67 -1.08 0.00 0.00 178.44 177.79 1cur n ASP 4 N -4.78 2.03 0.00 -0.43 4.64 0.07 -4.46 116.55 113.62 1cur n ASP 4 Ca 0.26 -0.89 0.00 0.00 -1.38 0.00 0.00 54.79 52.78 1cur n ASP 4 Cb 0.80 -1.59 0.00 0.00 -1.04 0.00 0.00 41.12 39.28 1cur n ASP 4 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1cur n THR 5 N 8.28 0.00 -1.18 5.18 -2.24 -1.26 -4.99 114.28 118.07 1cur n THR 5 Ca 0.42 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.87 1cur n THR 5 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.00 3.86 -3.18 4.28 -1.04 -1.26 -4.91 114.28 112.04 1cur n THR 6 Ca 0.00 -2.26 -0.39 0.00 -2.04 0.00 0.00 64.05 59.36 1cur n THR 6 Cb 0.00 -2.46 -0.05 0.00 -1.82 0.00 0.00 70.33 66.00 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 2.18 3.55 0.32 -1.42 0.23 -1.26 -2.62 118.94 119.91 1cur s TRP 7 Ca 0.65 1.08 -0.06 0.00 -2.03 0.00 0.00 56.10 55.74 1cur s TRP 7 Cb 0.19 -2.68 0.00 0.00 0.03 0.00 0.00 33.47 31.01 1cur s TRP 7 CO -0.05 0.14 0.49 0.15 0.96 0.00 0.00 176.95 178.65 1cur s LYS 8 N 0.66 1.83 0.04 4.98 -0.14 -0.43 -5.01 119.74 121.68 1cur s LYS 8 Ca 0.32 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.33 1cur s LYS 8 Cb -0.17 0.46 -0.03 0.00 -1.68 0.00 0.00 37.83 36.42 1cur s LYS 8 CO 0.15 -0.77 -0.05 -1.21 -0.76 0.00 0.00 175.35 172.70 1cur s GLU 9 N -3.24 0.48 0.00 1.68 2.02 -1.26 -0.58 118.70 117.80 1cur s GLU 9 Ca 0.27 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1cur s GLU 9 Cb -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.15 1cur s GLU 9 CO 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 175.26 175.43 1cur n ALA 10 N 1.23 0.00 -2.23 5.21 0.00 0.66 -4.91 120.51 120.48 1cur n ALA 10 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1cur n ALA 10 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 1.46 0.20 0.22 0.00 -4.23 -1.26 -0.43 115.64 111.61 1cur s THR 11 Ca 0.00 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 1cur s THR 11 Cb 0.00 -2.46 0.22 0.00 1.34 0.00 0.00 72.50 71.60 1cur s THR 11 CO 0.00 -0.08 1.53 -0.11 -0.54 0.00 0.00 174.62 175.42 1cur n LEU 12 N -0.30 -0.66 -0.04 4.79 0.00 -0.49 -0.13 117.00 120.18 1cur n LEU 12 Ca 0.00 1.72 0.09 0.00 0.00 0.00 0.00 56.01 57.83 1cur n LEU 12 Cb 0.66 -0.39 0.49 0.00 0.00 0.00 0.00 43.42 44.18 1cur n LEU 12 CO 0.34 -1.54 1.17 -0.65 0.00 0.00 0.00 177.39 176.71 1cur h PRO 13 N 0.00 0.42 0.00 1.96 0.11 -1.98 -0.45 132.00 132.05 1cur h PRO 13 Ca 0.33 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1cur h PRO 13 Cb 0.58 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1cur h PRO 13 CO -0.98 0.27 -0.15 1.96 -0.21 0.00 0.00 178.00 178.90 1cur h GLN 14 N 0.43 0.00 -0.02 1.05 1.08 -0.94 0.60 115.11 117.31 1cur h GLN 14 Ca 0.22 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1cur h GLN 14 Cb 0.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1cur h GLN 14 CO -0.06 0.15 0.01 0.28 -0.95 0.00 0.00 178.83 178.26 1cur h VAL 15 N 0.00 1.17 -0.99 -0.54 2.07 -0.93 0.10 116.25 117.13 1cur h VAL 15 Ca -0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1cur h VAL 15 Cb 0.50 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1cur h VAL 15 CO 0.02 0.13 0.65 0.11 0.02 0.00 0.00 177.57 178.51 1cur h LYS 16 N -0.16 1.23 0.46 1.57 1.57 -1.37 0.33 116.57 120.20 1cur h LYS 16 Ca 0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1cur h LYS 16 Cb 0.21 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1cur h LYS 16 CO -0.00 0.82 -0.36 0.00 -0.57 0.00 0.00 179.45 179.33 1cur h ALA 17 N 1.41 -1.10 -0.76 3.86 0.00 -0.61 -2.74 119.26 119.33 1cur h ALA 17 Ca 0.39 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1cur h ALA 17 Cb -0.02 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1cur h ALA 17 CO -0.12 -1.10 0.38 0.52 0.00 0.00 0.00 179.25 178.94 1cur h MET 18 N -0.80 0.61 -0.67 0.00 2.86 -0.49 0.32 114.93 116.76 1cur h MET 18 Ca -0.06 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1cur h MET 18 Cb 0.67 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 1cur h MET 18 CO 0.01 0.40 0.46 -0.07 1.06 0.00 0.00 176.91 178.76 1cur h LEU 19 N 0.62 0.29 -1.08 1.22 3.38 -0.90 0.80 115.31 119.64 1cur h LEU 19 Ca 0.38 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1cur h LEU 19 Cb 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1cur h LEU 19 CO -0.29 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 177.77 1cur n GLU 20 N -4.45 0.18 -0.78 1.13 1.02 0.10 -0.68 120.64 117.16 1cur n GLU 20 Ca 0.12 0.53 0.08 0.00 -0.02 0.00 0.00 57.16 57.87 1cur n GLU 20 Cb 0.52 -1.93 0.39 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.29 4.41 -1.70 3.49 4.01 0.27 -4.98 118.16 121.37 1cur n LYS 21 Ca 0.00 -3.06 -0.34 0.00 -0.51 0.00 0.00 58.31 54.41 1cur n LYS 21 Cb 0.15 -2.11 0.06 0.00 -0.51 0.00 0.00 35.03 32.62 1cur n LYS 21 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1cur s ASP 22 N -0.83 4.85 0.19 4.39 1.47 0.15 -4.90 116.67 121.98 1cur s ASP 22 Ca 0.54 2.15 -0.13 0.00 1.18 0.00 0.00 52.55 56.29 1cur s ASP 22 Cb 0.38 -2.57 0.01 0.00 -0.34 0.00 0.00 42.92 40.40 1cur s ASP 22 CO 0.20 -1.81 0.41 0.42 0.68 0.00 0.00 175.17 175.08 1cur s THR 23 N -2.14 0.04 0.00 2.11 -4.23 -1.26 -5.10 115.64 105.06 1cur s THR 23 Ca 0.70 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1cur s THR 23 Cb -0.24 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1cur s THR 23 CO 0.41 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1cur n GLY 24 N -0.29 3.35 3.69 3.99 0.00 -1.26 -4.95 105.19 109.72 1cur n GLY 24 Ca -0.08 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1cur n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 25 N -5.26 4.45 -1.07 1.61 -0.14 0.60 -4.71 119.74 115.22 1cur s LYS 25 Ca 0.00 1.45 -0.24 0.00 -1.36 0.00 0.00 55.97 55.82 1cur s LYS 25 Cb 0.00 -3.52 -0.08 0.00 -1.68 0.00 0.00 37.83 32.55 1cur s LYS 25 CO 0.00 -0.26 1.96 0.08 -0.76 0.00 0.00 175.35 176.37 1cur s VAL 26 N 1.74 3.47 -1.37 3.17 1.01 -1.26 -0.99 120.40 126.17 1cur s VAL 26 Ca 0.51 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1cur s VAL 26 Cb -0.20 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 31.99 1cur s VAL 26 CO 0.21 -0.89 2.13 -1.20 0.00 0.00 0.00 175.10 175.35 1cur n SER 27 N 14.68 5.35 0.00 3.32 7.64 0.17 -4.88 113.62 139.91 1cur n SER 27 Ca 0.43 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1cur n SER 27 Cb 0.47 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 3.13 1.11 0.13 0.23 0.00 -1.26 -0.90 105.19 107.62 1cur n GLY 28 Ca 0.49 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.93 1cur n GLY 28 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cur h ASP 29 N 0.00 0.00 -2.73 1.61 2.03 -1.98 -3.47 116.42 111.88 1cur h ASP 29 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 1cur h ASP 29 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 1cur h ASP 29 CO 0.00 0.23 -0.35 -0.89 -1.03 0.00 0.00 179.24 177.21 1cur s THR 30 N -3.16 5.22 -0.08 1.15 2.01 -0.08 -4.18 115.64 116.50 1cur s THR 30 Ca 0.00 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1cur s THR 30 Cb 0.08 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 1cur s THR 30 CO 0.77 -0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.65 1cur s VAL 31 N -1.91 2.98 -0.13 3.82 1.01 0.23 0.42 120.40 126.82 1cur s VAL 31 Ca 0.38 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1cur s VAL 31 Cb -0.11 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1cur s VAL 31 CO 0.30 0.56 -0.16 -0.89 0.00 0.00 0.00 175.10 174.91 1cur s THR 32 N -0.24 1.63 0.91 3.92 2.01 -0.16 -0.61 115.64 123.09 1cur s THR 32 Ca 0.01 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.17 1cur s THR 32 Cb -0.13 -1.49 0.15 0.00 0.01 0.00 0.00 72.50 71.04 1cur s THR 32 CO 0.03 0.47 1.25 -0.47 -0.69 0.00 0.00 174.62 175.21 1cur s TYR 33 N 1.18 2.14 -0.39 4.92 5.04 -0.13 -0.30 117.35 129.81 1cur s TYR 33 Ca -0.01 0.51 0.10 0.00 -2.44 0.00 0.00 57.07 55.22 1cur s TYR 33 Cb -0.14 -3.83 0.39 0.00 0.35 0.00 0.00 41.96 38.73 1cur s TYR 33 CO -0.06 -2.33 1.34 0.43 -1.34 0.00 0.00 175.55 173.59 1cur n SER 34 N -3.62 -1.72 0.00 4.32 7.64 -1.26 -4.84 113.62 114.14 1cur n SER 34 Ca 0.12 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1cur n SER 34 Cb 0.60 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 1cur n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cur n GLY 35 N -0.58 0.54 0.10 0.23 0.00 -1.26 -5.05 105.19 99.17 1cur n GLY 35 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1cur n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cur h LYS 36 N 0.00 0.18 -5.61 1.61 6.56 -1.95 -3.40 116.57 113.97 1cur h LYS 36 Ca 0.00 -0.31 -0.67 0.00 -1.06 0.00 0.00 60.65 58.61 1cur h LYS 36 Cb 0.00 0.12 -0.12 0.00 -0.57 0.00 0.00 32.23 31.66 1cur h LYS 36 CO 0.00 1.08 1.64 0.95 -2.06 0.00 0.00 179.45 181.06 1cur s THR 37 N -2.65 4.32 -1.15 -0.16 -4.23 -1.26 0.14 115.64 110.65 1cur s THR 37 Ca -0.04 -1.66 -0.17 0.00 -1.18 0.00 0.00 61.69 58.64 1cur s THR 37 Cb 0.08 -5.04 0.12 0.00 1.34 0.00 0.00 72.50 69.00 1cur s THR 37 CO 0.86 -1.85 1.45 -0.69 -0.54 0.00 0.00 174.62 173.84 1cur s VAL 38 N 3.73 4.61 -0.58 2.29 1.01 -0.01 -4.97 120.40 126.49 1cur s VAL 38 Ca 0.46 -2.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.18 1cur s VAL 38 Cb 0.00 -4.97 0.04 0.00 0.00 0.00 0.00 36.38 31.45 1cur s VAL 38 CO -0.01 -1.74 1.01 -2.28 0.00 0.00 0.00 175.10 172.08 1cur s HIS 39 N 2.87 2.71 -0.46 5.22 2.46 -1.26 -0.54 115.29 126.30 1cur s HIS 39 Ca 0.44 -0.00 -0.13 0.00 0.47 0.00 0.00 55.06 55.83 1cur s HIS 39 Cb -0.01 -4.22 0.08 0.00 -0.13 0.00 0.00 32.58 28.30 1cur s HIS 39 CO -0.01 -1.48 0.36 0.08 -2.47 0.00 0.00 174.74 171.22 1cur s VAL 40 N 4.27 4.87 -0.42 0.89 1.01 -0.01 -4.36 120.40 126.63 1cur s VAL 40 Ca 0.32 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1cur s VAL 40 Cb -0.12 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1cur s VAL 40 CO 0.19 -0.59 1.04 -0.69 0.00 0.00 0.00 175.10 175.05 1cur s VAL 41 N 1.56 4.39 0.22 2.92 1.01 -1.26 -0.28 120.40 128.95 1cur s VAL 41 Ca 0.04 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.31 1cur s VAL 41 Cb -0.24 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 1cur s VAL 41 CO 0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 175.10 174.22 1cur s ALA 42 N 3.97 2.12 0.15 5.51 0.00 0.23 -2.86 121.76 130.88 1cur s ALA 42 Ca 0.43 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 1cur s ALA 42 Cb -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1cur s ALA 42 CO 0.25 0.08 0.34 0.00 0.00 0.00 0.00 175.76 176.43 1cur s ALA 43 N -2.93 -0.39 -0.10 0.00 0.00 0.13 0.10 121.76 118.58 1cur s ALA 43 Ca 0.24 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1cur s ALA 43 Cb -0.01 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1cur s ALA 43 CO 0.08 -0.66 -0.09 0.00 0.00 0.00 0.00 175.76 175.09 1cur s ALA 44 N -3.91 1.31 -0.31 0.00 0.00 -1.18 -0.89 121.76 116.78 1cur s ALA 44 Ca 0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 1cur s ALA 44 Cb 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1cur s ALA 44 CO -0.04 -0.28 0.19 0.28 0.00 0.00 0.00 175.76 175.91 1cur n VAL 45 N 4.65 -0.89 -2.65 0.00 0.31 -0.89 -3.33 118.33 115.53 1cur n VAL 45 Ca -0.15 -0.09 -0.36 0.00 -0.01 0.00 0.00 64.34 63.73 1cur n VAL 45 Cb 0.50 -0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 32.61 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 -4.30 4.11 -0.76 7.52 1.43 -1.26 -4.04 118.68 121.38 1cur s LEU 46 Ca 0.07 1.91 -0.36 0.00 -1.03 0.00 0.00 54.13 54.72 1cur s LEU 46 Cb -0.04 -4.26 -0.20 0.00 0.03 0.00 0.00 46.19 41.71 1cur s LEU 46 CO 0.29 -0.40 2.41 -2.65 0.23 0.00 0.00 176.35 176.22 1cur n PRO 47 N -0.15 0.00 0.00 1.29 -0.02 -1.26 -0.73 135.00 134.13 1cur n PRO 47 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1cur n PRO 47 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1cur n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cur n GLY 48 N 6.83 3.84 3.77 -1.23 0.00 -1.26 -5.11 105.19 112.03 1cur n GLY 48 Ca 0.60 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 3.64 0.48 1.61 0.08 0.09 -5.02 117.98 118.86 1cur s PHE 49 Ca 0.00 1.76 -0.19 0.00 0.12 0.00 0.00 56.93 58.63 1cur s PHE 49 Cb 0.00 -3.09 -0.09 0.00 -0.57 0.00 0.00 43.02 39.27 1cur s PHE 49 CO 0.00 -0.13 0.98 -1.25 -0.10 0.00 0.00 175.22 174.72 1cur s PRO 50 N -1.75 3.99 0.49 0.24 0.04 -1.26 -4.60 135.00 132.15 1cur s PRO 50 Ca 0.48 1.08 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 1cur s PRO 50 Cb -0.25 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 1cur s PRO 50 CO 0.32 -0.23 1.26 -0.06 0.04 0.00 0.00 177.00 178.32 1cur s PHE 51 N -2.38 2.64 -0.66 0.56 0.40 -1.26 -1.61 117.98 115.67 1cur s PHE 51 Ca 0.61 1.45 0.01 0.00 -0.60 0.00 0.00 56.93 58.41 1cur s PHE 51 Cb -0.11 -3.59 0.38 0.00 0.51 0.00 0.00 43.02 40.22 1cur s PHE 51 CO 0.23 -2.14 1.57 -0.35 0.70 0.00 0.00 175.22 175.24 1cur n PRO 52 N -0.61 3.15 -2.36 0.24 -0.04 -1.26 -5.11 135.00 129.02 1cur n PRO 52 Ca 0.08 -4.04 -0.42 0.00 -0.04 0.00 0.00 63.50 59.07 1cur n PRO 52 Cb 0.46 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 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 -2.29 6.99 -0.50 3.54 1.04 -0.63 -3.99 113.70 117.85 1cur s SER 53 Ca 0.50 2.01 -0.28 0.00 0.48 0.00 0.00 55.95 58.66 1cur s SER 53 Cb 0.41 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.99 1cur s SER 53 CO -0.30 -0.59 1.08 -0.36 0.98 0.00 0.00 173.24 174.05 1cur s PHE 54 N 1.79 2.79 0.09 5.02 0.08 -1.26 -2.09 117.98 124.40 1cur s PHE 54 Ca 0.60 0.50 -0.25 0.00 0.12 0.00 0.00 56.93 57.90 1cur s PHE 54 Cb -0.29 -4.31 -0.06 0.00 -0.57 0.00 0.00 43.02 37.78 1cur s PHE 54 CO 0.26 -1.31 0.78 -1.21 -0.10 0.00 0.00 175.22 173.64 1cur s GLU 55 N 4.35 4.53 -0.41 0.44 8.01 -0.07 0.12 118.70 135.67 1cur s GLU 55 Ca 0.43 1.12 0.02 0.00 0.01 0.00 0.00 54.97 56.54 1cur s GLU 55 Cb -0.08 -3.32 0.15 0.00 -4.31 0.00 0.00 34.13 26.56 1cur s GLU 55 CO 0.28 0.39 0.26 0.08 0.01 0.00 0.00 175.26 176.28 1cur s VAL 56 N -0.47 0.73 0.00 2.63 1.01 0.51 0.21 120.40 125.02 1cur s VAL 56 Ca 0.38 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1cur s VAL 56 Cb -0.22 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1cur s VAL 56 CO 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 175.10 174.34 1cur n HIS 57 N 3.54 0.00 0.19 5.22 1.44 -1.13 -0.68 115.22 123.80 1cur n HIS 57 Ca 0.15 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.91 1cur n HIS 57 Cb 0.38 0.00 0.38 0.00 0.12 0.00 0.00 29.99 30.87 1cur n HIS 57 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1cur h ASP 58 N 0.00 0.00 -3.01 4.39 1.82 -1.94 -3.46 116.42 114.21 1cur h ASP 58 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1cur h ASP 58 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1cur h ASP 58 CO 0.00 0.36 -0.08 0.29 -1.61 0.00 0.00 179.24 178.21 1cur n LYS 59 N -3.71 1.18 -4.01 0.28 4.76 0.14 -5.16 118.16 111.65 1cur n LYS 59 Ca -0.01 -0.57 -0.20 0.00 -2.87 0.00 0.00 58.31 54.66 1cur n LYS 59 Cb 0.46 0.26 -0.17 0.00 -1.84 0.00 0.00 35.03 33.74 1cur n LYS 59 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1cur s LYS 60 N -2.27 0.63 -1.49 1.97 1.02 -1.26 -0.36 119.74 117.98 1cur s LYS 60 Ca 0.02 -0.00 -0.09 0.00 0.02 0.00 0.00 55.97 55.92 1cur s LYS 60 Cb 0.00 -0.77 0.07 0.00 -0.52 0.00 0.00 37.83 36.61 1cur s LYS 60 CO 0.02 -0.15 0.78 0.09 -0.92 0.00 0.00 175.35 175.16 1cur n ASN 61 N 4.33 -2.86 -3.50 2.83 3.02 0.12 -4.89 115.26 114.31 1cur n ASN 61 Ca -0.21 -0.88 -0.24 0.00 -0.03 0.00 0.00 54.58 53.22 1cur n ASN 61 Cb 0.50 -3.54 0.18 0.00 -0.61 0.00 0.00 39.78 36.32 1cur n ASN 61 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1cur n PRO 62 N -4.49 -1.56 -4.15 3.52 -0.04 -1.26 -4.57 135.00 122.45 1cur n PRO 62 Ca -0.09 -1.61 -0.35 0.00 -0.04 0.00 0.00 63.50 61.41 1cur n PRO 62 Cb 0.58 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 1cur n PRO 62 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1cur s THR 63 N -3.15 4.71 -0.18 0.52 2.01 -1.26 -2.85 115.64 115.44 1cur s THR 63 Ca 0.61 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.52 1cur s THR 63 Cb -0.03 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1cur s THR 63 CO 0.44 0.56 -0.14 -0.76 -0.69 0.00 0.00 174.62 174.02 1cur s LEU 64 N -0.45 2.46 -0.17 4.42 1.02 0.29 -0.61 118.68 125.65 1cur s LEU 64 Ca 0.09 -0.51 -0.17 0.00 0.02 0.00 0.00 54.13 53.56 1cur s LEU 64 Cb -0.12 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 1cur s LEU 64 CO 0.02 0.03 0.43 -1.61 0.02 0.00 0.00 176.35 175.24 1cur s GLU 65 N 1.14 4.24 -0.00 1.70 2.02 0.22 -0.06 118.70 127.95 1cur s GLU 65 Ca 0.01 0.31 0.04 0.00 0.02 0.00 0.00 54.97 55.34 1cur s GLU 65 Cb -0.14 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 1cur s GLU 65 CO -0.05 0.03 -0.12 0.42 0.02 0.00 0.00 175.26 175.56 1cur s ILE 66 N 1.06 0.96 -0.17 -1.63 1.01 0.42 -0.95 121.20 121.90 1cur s ILE 66 Ca 0.22 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1cur s ILE 66 Cb -0.15 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 1cur s ILE 66 CO 0.08 0.22 0.97 -2.16 0.00 0.00 0.00 174.94 174.05 1cur s PRO 67 N -0.42 4.32 0.35 2.79 0.04 -1.26 -0.76 135.00 140.06 1cur s PRO 67 Ca 0.04 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.09 1cur s PRO 67 Cb -0.05 -3.59 -0.13 0.00 0.04 0.00 0.00 34.50 30.76 1cur s PRO 67 CO -0.00 -0.44 0.71 0.00 0.04 0.00 0.00 177.00 177.31 1cur n ALA 68 N 5.58 -1.19 0.00 8.56 0.00 0.33 -2.21 120.51 131.57 1cur n ALA 68 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1cur n ALA 68 Cb 0.48 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.60 2.70 3.68 0.00 0.00 -0.10 -4.99 105.19 108.08 1cur n GLY 69 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1cur n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cur n ALA 70 N 0.10 0.83 -2.61 4.61 0.00 -0.94 -4.77 120.51 117.74 1cur n ALA 70 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1cur n ALA 70 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 1cur n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cur s THR 71 N -1.41 3.93 -0.06 0.00 2.01 0.12 -4.02 115.64 116.22 1cur s THR 71 Ca 0.77 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 1cur s THR 71 Cb -0.41 -4.81 -0.02 0.00 0.01 0.00 0.00 72.50 67.27 1cur s THR 71 CO 0.46 -1.61 1.03 -0.69 -0.69 0.00 0.00 174.62 173.11 1cur s VAL 72 N 5.17 4.73 -0.30 3.82 1.01 0.63 -0.83 120.40 134.63 1cur s VAL 72 Ca 0.35 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.33 1cur s VAL 72 Cb -0.09 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.10 1cur s VAL 72 CO 0.17 0.06 0.02 -1.81 0.00 0.00 0.00 175.10 173.55 1cur s ASP 73 N 1.10 4.33 -0.56 3.32 1.11 0.30 -0.23 116.67 126.04 1cur s ASP 73 Ca 0.51 -1.72 -0.24 0.00 0.18 0.00 0.00 52.55 51.27 1cur s ASP 73 Cb -0.20 -1.32 0.04 0.00 1.07 0.00 0.00 42.92 42.51 1cur s ASP 73 CO 0.22 -0.34 0.97 -0.69 1.18 0.00 0.00 175.17 176.51 1cur s VAL 74 N 1.22 4.34 -0.68 -1.27 1.01 -0.31 -0.83 120.40 123.88 1cur s VAL 74 Ca 0.05 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 1cur s VAL 74 Cb -0.19 -4.57 0.10 0.00 0.00 0.00 0.00 36.38 31.72 1cur s VAL 74 CO -0.12 -1.16 0.88 -0.89 0.00 0.00 0.00 175.10 173.82 1cur s THR 75 N 4.07 4.63 0.58 3.92 2.01 0.61 -2.55 115.64 128.90 1cur s THR 75 Ca 0.31 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1cur s THR 75 Cb -0.12 -4.62 -0.05 0.00 0.01 0.00 0.00 72.50 67.72 1cur s THR 75 CO 0.19 -1.32 1.02 -0.36 -0.69 0.00 0.00 174.62 173.46 1cur s PHE 76 N 3.17 3.30 -0.44 4.92 0.08 0.24 -0.60 117.98 128.66 1cur s PHE 76 Ca 0.19 1.45 0.06 0.00 0.12 0.00 0.00 56.93 58.76 1cur s PHE 76 Cb -0.18 -2.86 0.22 0.00 -0.57 0.00 0.00 43.02 39.64 1cur s PHE 76 CO 0.05 -0.74 0.49 -0.89 -0.10 0.00 0.00 175.22 174.02 1cur n ILE 77 N -2.08 -0.43 -3.02 0.64 -0.00 0.12 -2.97 119.36 111.62 1cur n ILE 77 Ca 0.07 -4.00 -0.43 0.00 -0.00 0.00 0.00 62.75 58.39 1cur n ILE 77 Cb 0.54 -1.90 -0.06 0.00 -0.00 0.00 0.00 39.64 38.22 1cur n ILE 77 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1cur s ASN 78 N -0.96 6.40 -0.30 4.38 2.47 -0.12 -3.10 114.94 123.70 1cur s ASN 78 Ca 0.34 -0.11 0.19 0.00 0.42 0.00 0.00 52.86 53.71 1cur s ASN 78 Cb 0.12 -2.36 0.47 0.00 -1.45 0.00 0.00 41.25 38.03 1cur s ASN 78 CO -0.13 -0.83 1.04 0.41 -3.72 0.00 0.00 177.10 173.87 1cur n THR 79 N 5.97 1.03 -0.02 -5.21 -1.04 -1.25 -3.55 114.28 110.19 1cur n THR 79 Ca 0.01 -2.90 -0.13 0.00 -2.04 0.00 0.00 64.05 59.00 1cur n THR 79 Cb 0.48 0.91 -0.09 0.00 -1.82 0.00 0.00 70.33 69.82 1cur n THR 79 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1cur h ASN 80 N 2.78 0.11 -4.67 8.00 -0.00 -1.69 -3.42 115.58 116.70 1cur h ASN 80 Ca -0.13 -0.42 0.00 0.00 -0.00 0.00 0.00 56.30 55.75 1cur h ASN 80 Cb 1.22 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 1cur h ASN 80 CO 0.35 0.51 0.00 0.29 -0.00 0.00 0.00 177.43 178.58 1cur n LYS 81 N -4.80 0.00 0.00 6.67 5.02 -1.26 -4.82 118.16 118.97 1cur n LYS 81 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1cur n LYS 81 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 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 0.75 1.24 3.57 0.72 0.00 -1.26 -4.79 105.19 105.41 1cur n GLY 82 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1cur n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cur s PHE 83 N 0.00 2.48 -0.91 1.61 0.08 -1.26 -4.93 117.98 115.05 1cur s PHE 83 Ca 0.00 0.27 -0.22 0.00 0.12 0.00 0.00 56.93 57.09 1cur s PHE 83 Cb 0.00 -4.55 -0.13 0.00 -0.57 0.00 0.00 43.02 37.77 1cur s PHE 83 CO 0.00 -1.77 1.92 0.41 -0.10 0.00 0.00 175.22 175.68 1cur n GLY 84 N 5.18 2.07 3.68 4.36 0.00 -1.26 -4.76 105.19 114.46 1cur n GLY 84 Ca 0.07 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 1cur n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cur n HIS 85 N 9.68 2.22 -3.63 1.61 -0.00 -1.26 -3.54 115.22 120.30 1cur n HIS 85 Ca 0.48 0.46 -0.25 0.00 -0.00 0.00 0.00 57.72 58.41 1cur n HIS 85 Cb 0.42 -2.45 -0.02 0.00 -0.00 0.00 0.00 29.99 27.94 1cur n HIS 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1cur s SER 86 N 0.10 6.35 -0.16 0.41 1.04 -1.26 -1.02 113.70 119.16 1cur s SER 86 Ca 0.64 0.37 -0.00 0.00 0.48 0.00 0.00 55.95 57.44 1cur s SER 86 Cb -0.62 -2.00 0.04 0.00 0.10 0.00 0.00 66.02 63.55 1cur s SER 86 CO 0.54 -0.13 -0.06 0.12 0.98 0.00 0.00 173.24 174.69 1cur s PHE 87 N -2.02 1.78 -0.08 5.02 2.19 -1.22 -4.16 117.98 119.48 1cur s PHE 87 Ca 0.38 -1.11 -0.01 0.00 0.33 0.00 0.00 56.93 56.52 1cur s PHE 87 Cb -0.10 -1.36 0.03 0.00 -1.31 0.00 0.00 43.02 40.28 1cur s PHE 87 CO 0.31 -0.62 -0.03 -0.51 1.83 0.00 0.00 175.22 176.19 1cur s ASP 88 N 1.61 1.72 -0.15 6.13 1.01 0.86 0.01 116.67 127.86 1cur s ASP 88 Ca 0.01 -0.17 -0.11 0.00 0.71 0.00 0.00 52.55 52.99 1cur s ASP 88 Cb -0.15 -0.59 -0.05 0.00 1.01 0.00 0.00 42.92 43.14 1cur s ASP 88 CO -0.08 -0.14 0.22 -0.63 0.21 0.00 0.00 175.17 174.75 1cur s ILE 89 N 1.72 5.35 0.00 0.77 1.01 0.80 -0.51 121.20 130.34 1cur s ILE 89 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1cur s ILE 89 Cb -0.13 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1cur s ILE 89 CO -0.05 0.47 0.00 1.07 0.00 0.00 0.00 174.94 176.42 1cur n THR 90 N 3.09 0.00 -0.45 2.92 5.66 0.31 -0.73 114.28 125.08 1cur n THR 90 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1cur n THR 90 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 0.47 -2.48 1.09 5.02 -1.26 -0.29 118.16 120.72 1cur n LYS 91 Ca 0.00 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.75 1cur n LYS 91 Cb 0.00 -0.54 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1cur n LYS 91 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cur s LYS 92 N -0.11 4.54 0.70 1.97 1.02 -1.26 -4.71 119.74 121.90 1cur s LYS 92 Ca 0.00 1.75 -0.05 0.00 0.02 0.00 0.00 55.97 57.69 1cur s LYS 92 Cb 0.00 -3.29 0.07 0.00 -0.52 0.00 0.00 37.83 34.10 1cur s LYS 92 CO 0.00 -0.02 0.99 0.20 -0.92 0.00 0.00 175.35 175.60 1cur s GLY 93 N 0.17 1.73 0.90 -3.33 0.00 -1.26 -4.68 107.32 100.84 1cur s GLY 93 Ca 0.52 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 1cur s GLY 93 CO 0.34 -0.68 1.10 2.56 0.00 0.00 0.00 173.10 176.42 1cur s PRO 94 N -5.19 1.26 0.23 2.90 0.04 -1.26 -4.52 135.00 128.46 1cur s PRO 94 Ca 0.61 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1cur s PRO 94 Cb -0.10 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1cur s PRO 94 CO 0.44 -2.21 0.99 -1.25 0.04 0.00 0.00 177.00 175.01 1cur s PRO 95 N -5.00 4.78 0.42 0.56 0.04 -1.26 -5.16 135.00 129.39 1cur s PRO 95 Ca 0.63 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 1cur s PRO 95 Cb -0.17 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 1cur s PRO 95 CO 0.56 0.39 0.89 0.71 0.04 0.00 0.00 177.00 179.59 1cur s TYR 96 N -1.00 3.37 0.51 0.56 2.02 -1.26 -5.04 117.35 116.51 1cur s TYR 96 Ca 0.43 1.43 -0.18 0.00 -0.37 0.00 0.00 57.07 58.39 1cur s TYR 96 Cb -0.27 -2.73 -0.08 0.00 -0.40 0.00 0.00 41.96 38.48 1cur s TYR 96 CO 0.34 -0.12 1.00 0.00 -1.57 0.00 0.00 175.55 175.20 1cur s ALA 97 N -2.25 2.98 0.21 3.71 0.00 -1.26 -4.09 121.76 121.06 1cur s ALA 97 Ca 0.58 0.30 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1cur s ALA 97 Cb -0.10 -3.16 0.21 0.00 0.00 0.00 0.00 23.12 20.08 1cur s ALA 97 CO 0.20 -0.29 1.83 0.28 0.00 0.00 0.00 175.76 177.78 1cur h VAL 98 N 1.06 1.03 -3.40 0.00 2.07 -1.96 -3.38 116.25 111.67 1cur h VAL 98 Ca -0.47 -0.26 -0.53 0.00 0.82 0.00 0.00 66.70 66.25 1cur h VAL 98 Cb 1.19 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1cur h VAL 98 CO 0.60 0.14 0.43 -0.04 0.02 0.00 0.00 177.57 178.72 1cur s MET 99 N -6.11 4.56 -1.09 1.57 -1.94 -1.26 -0.31 119.30 114.72 1cur s MET 99 Ca -0.13 1.56 -0.21 0.00 -1.71 0.00 0.00 55.69 55.20 1cur s MET 99 Cb 0.16 -3.39 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 1cur s MET 99 CO 0.76 -0.04 1.93 -0.35 -0.01 0.00 0.00 175.02 177.32 1cur n PRO 100 N 3.49 1.97 -1.56 2.03 -0.04 -1.26 -4.78 135.00 134.85 1cur n PRO 100 Ca 0.06 -2.40 -0.41 0.00 -0.04 0.00 0.00 63.50 60.70 1cur n PRO 100 Cb 0.49 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.57 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 6.65 3.55 0.03 0.52 0.31 -1.26 -4.57 118.33 123.55 1cur n VAL 101 Ca 0.48 -2.78 -0.15 0.00 -0.01 0.00 0.00 64.34 61.88 1cur n VAL 101 Cb 0.43 -2.58 -0.14 0.00 -0.91 0.00 0.00 33.84 30.64 1cur n VAL 101 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1cur h ILE 102 N 3.76 1.00 -2.58 2.52 -0.00 -1.97 -3.46 117.51 116.78 1cur h ILE 102 Ca 0.64 -2.72 -0.60 0.00 -0.00 0.00 0.00 64.86 62.18 1cur h ILE 102 Cb 0.54 2.63 0.10 0.00 -0.00 0.00 0.00 36.82 40.09 1cur h ILE 102 CO 1.86 0.76 0.26 0.47 -0.00 0.00 0.00 178.15 181.49 1cur n ASP 103 N -3.35 1.70 -4.83 2.16 8.00 -1.26 -4.51 116.55 114.46 1cur n ASP 103 Ca -0.19 1.18 -0.28 0.00 0.71 0.00 0.00 54.79 56.21 1cur n ASP 103 Cb 1.04 -1.33 0.09 0.00 -0.02 0.00 0.00 41.12 40.90 1cur n ASP 103 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1cur s PRO 104 N -1.38 1.91 0.04 -0.24 0.04 -1.26 -5.06 135.00 129.04 1cur s PRO 104 Ca 0.60 -0.10 0.07 0.00 0.04 0.00 0.00 61.00 61.62 1cur s PRO 104 Cb -0.69 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1cur s PRO 104 CO 0.59 -1.55 -0.21 0.42 0.04 0.00 0.00 177.00 176.28 1cur s ILE 105 N -3.48 1.72 0.00 0.56 -1.09 -1.26 -4.77 121.20 112.88 1cur s ILE 105 Ca 0.63 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1cur s ILE 105 Cb -0.10 -1.48 0.00 0.00 -1.58 0.00 0.00 42.46 39.30 1cur s ILE 105 CO 0.48 0.25 0.00 0.52 -1.23 0.00 0.00 174.94 174.96 1cur n VAL 106 N 1.91 0.00 -3.50 2.92 0.31 0.09 -5.00 118.33 115.07 1cur n VAL 106 Ca -0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.92 1cur n VAL 106 Cb 0.53 -0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 33.01 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 -4.10 3.74 0.00 3.52 0.00 -1.17 -4.97 121.76 118.78 1cur s ALA 107 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1cur s ALA 107 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1cur s ALA 107 CO 0.00 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1cur n GLY 108 N -1.47 0.19 2.95 0.00 0.00 -1.26 -0.14 105.19 105.46 1cur n GLY 108 Ca -0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 1.33 -1.25 2.61 -4.23 0.10 -4.78 115.64 107.42 1cur s THR 109 Ca 0.00 -0.70 -0.13 0.00 -1.18 0.00 0.00 61.69 59.69 1cur s THR 109 Cb 0.00 -1.41 -0.06 0.00 1.34 0.00 0.00 72.50 72.37 1cur s THR 109 CO 0.00 0.23 2.35 0.61 -0.54 0.00 0.00 174.62 177.26 1cur n GLY 110 N 4.81 3.71 1.71 3.99 0.00 -1.26 -3.44 105.19 114.71 1cur n GLY 110 Ca -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1cur n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cur n PHE 111 N 5.28 -0.85 -1.09 1.61 3.72 -1.26 -4.51 117.46 120.36 1cur n PHE 111 Ca 0.57 0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 58.17 1cur n PHE 111 Cb 0.29 -1.97 0.19 0.00 -0.94 0.00 0.00 39.48 37.05 1cur n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1cur s SER 112 N -0.15 2.42 1.09 4.37 1.04 -0.19 -4.89 113.70 117.39 1cur s SER 112 Ca -0.05 1.24 -0.16 0.00 0.48 0.00 0.00 55.95 57.47 1cur s SER 112 Cb 0.00 -1.92 0.13 0.00 0.10 0.00 0.00 66.02 64.33 1cur s SER 112 CO 0.15 -3.27 0.37 -2.65 0.98 0.00 0.00 173.24 168.82 1cur n PRO 113 N -4.27 -1.47 -3.85 4.02 -0.02 -1.26 -4.22 135.00 123.93 1cur n PRO 113 Ca 0.05 -0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 60.83 1cur n PRO 113 Cb 0.57 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 1cur n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cur s VAL 114 N -2.33 1.96 0.02 -1.45 1.01 -1.26 -4.65 120.40 113.71 1cur s VAL 114 Ca 0.59 -2.75 -0.00 0.00 0.00 0.00 0.00 61.98 59.82 1cur s VAL 114 Cb -0.17 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1cur s VAL 114 CO 0.66 -0.80 0.02 -2.65 0.00 0.00 0.00 175.10 172.33 1cur n PRO 115 N 3.56 -0.81 -4.47 2.72 -0.02 -1.26 -4.95 135.00 129.77 1cur n PRO 115 Ca 0.06 -0.04 -0.23 0.00 -2.02 0.00 0.00 63.50 61.27 1cur n PRO 115 Cb 0.35 -0.03 -0.10 0.00 -0.02 0.00 0.00 33.50 33.70 1cur n PRO 115 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1cur s LYS 116 N -3.05 1.75 0.50 -0.52 1.02 -1.26 -4.89 119.74 113.29 1cur s LYS 116 Ca 0.02 -2.01 -0.21 0.00 0.02 0.00 0.00 55.97 53.79 1cur s LYS 116 Cb -0.00 -0.77 -0.10 0.00 -0.52 0.00 0.00 37.83 36.44 1cur s LYS 116 CO 0.01 -0.30 0.68 -3.47 -0.92 0.00 0.00 175.35 171.35 1cur n ASP 117 N -0.90 -0.33 0.00 2.83 4.64 -1.26 -2.34 116.55 119.20 1cur n ASP 117 Ca -0.04 0.85 0.00 0.00 -1.38 0.00 0.00 54.79 54.22 1cur n ASP 117 Cb 0.66 -1.22 0.00 0.00 -1.04 0.00 0.00 41.12 39.52 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 1.61 1.18 3.83 0.27 0.00 -1.26 -4.95 105.19 105.88 1cur n GLY 118 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 4.01 -0.13 1.61 1.02 -0.99 -1.40 119.74 123.86 1cur s LYS 119 Ca 0.00 1.02 -0.02 0.00 0.02 0.00 0.00 55.97 56.99 1cur s LYS 119 Cb 0.00 -2.14 0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1cur s LYS 119 CO 0.00 -0.22 0.02 -0.06 -0.92 0.00 0.00 175.35 174.17 1cur s PHE 120 N -2.47 0.78 -0.34 3.18 0.40 0.43 -4.53 117.98 115.43 1cur s PHE 120 Ca 0.60 -0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 56.16 1cur s PHE 120 Cb -0.10 -0.89 0.01 0.00 0.51 0.00 0.00 43.02 42.54 1cur s PHE 120 CO 0.26 -0.47 1.31 0.20 0.70 0.00 0.00 175.22 177.22 1cur s GLY 121 N 1.94 1.31 0.31 4.36 0.00 -1.23 -0.24 107.32 113.77 1cur s GLY 121 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 44.72 44.83 1cur s GLY 121 CO -0.07 2.61 0.03 -2.52 0.00 0.00 0.00 173.10 173.16 1cur s TYR 122 N 4.62 2.63 -0.17 1.90 -0.85 0.26 -0.94 117.35 124.80 1cur s TYR 122 Ca 0.57 -0.34 -0.08 0.00 -0.52 0.00 0.00 57.07 56.70 1cur s TYR 122 Cb -0.15 -1.41 0.07 0.00 0.38 0.00 0.00 41.96 40.85 1cur s TYR 122 CO 0.26 0.50 0.39 0.99 -1.52 0.00 0.00 175.55 176.16 1cur s THR 123 N -2.42 -0.22 -0.64 -3.49 2.01 -1.16 -1.31 115.64 108.40 1cur s THR 123 Ca 0.34 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1cur s THR 123 Cb -0.03 -0.59 0.17 0.00 0.01 0.00 0.00 72.50 72.05 1cur s THR 123 CO 0.20 0.05 0.46 -1.81 -0.69 0.00 0.00 174.62 172.84 1cur s ASP 124 N 1.78 5.24 -0.04 3.53 1.11 -1.08 -0.59 116.67 126.62 1cur s ASP 124 Ca -0.07 -2.94 -0.03 0.00 0.18 0.00 0.00 52.55 49.69 1cur s ASP 124 Cb -0.10 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 1cur s ASP 124 CO -0.12 -0.35 0.14 0.72 1.18 0.00 0.00 175.17 176.74 1cur s PHE 125 N -0.19 3.49 0.07 4.23 -0.71 -1.06 -4.71 117.98 119.11 1cur s PHE 125 Ca 0.18 0.37 0.03 0.00 -1.04 0.00 0.00 56.93 56.47 1cur s PHE 125 Cb -0.20 -1.84 -0.04 0.00 -1.21 0.00 0.00 43.02 39.73 1cur s PHE 125 CO -0.04 0.65 0.06 0.99 -1.34 0.00 0.00 175.22 175.54 1cur s THR 126 N -1.19 4.41 -0.05 -4.49 2.01 -1.26 -1.16 115.64 113.91 1cur s THR 126 Ca 0.22 -0.77 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1cur s THR 126 Cb -0.12 -3.10 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1cur s THR 126 CO 0.13 0.16 0.26 0.86 -0.69 0.00 0.00 174.62 175.34 1cur s TRP 127 N -1.33 -0.18 -0.33 4.92 -0.00 0.68 -4.99 118.94 117.71 1cur s TRP 127 Ca 0.27 0.37 -0.02 0.00 -0.00 0.00 0.00 56.10 56.72 1cur s TRP 127 Cb -0.12 0.07 0.06 0.00 -0.00 0.00 0.00 33.47 33.48 1cur s TRP 127 CO 0.20 -0.27 0.05 -1.01 -0.00 0.00 0.00 176.95 175.92 1cur s HIS 128 N -0.75 3.35 -0.05 5.86 3.76 -1.26 -0.27 115.29 125.94 1cur s HIS 128 Ca -0.08 -1.99 -0.19 0.00 -0.15 0.00 0.00 55.06 52.65 1cur s HIS 128 Cb -0.04 -2.39 -0.05 0.00 1.11 0.00 0.00 32.58 31.20 1cur s HIS 128 CO 0.02 -0.84 0.52 -1.25 -0.85 0.00 0.00 174.74 172.34 1cur s PRO 129 N 1.23 4.26 0.51 8.40 0.04 -1.26 -4.90 135.00 143.28 1cur s PRO 129 Ca -0.01 0.57 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 1cur s PRO 129 Cb -0.20 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1cur s PRO 129 CO -0.02 0.33 0.87 0.95 0.04 0.00 0.00 177.00 179.17 1cur s THR 130 N 0.00 4.81 1.10 1.26 -4.23 -1.26 -0.92 115.64 116.40 1cur s THR 130 Ca 0.28 0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 61.19 1cur s THR 130 Cb -0.17 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 70.09 1cur s THR 130 CO 0.14 -0.88 1.05 0.00 -0.54 0.00 0.00 174.62 174.39 1cur s ALA 131 N -2.81 0.01 0.00 3.99 0.00 -1.26 -4.74 121.76 116.96 1cur s ALA 131 Ca 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1cur s ALA 131 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1cur s ALA 131 CO 0.45 -3.54 0.00 0.41 0.00 0.00 0.00 175.76 173.07 1cur n GLY 132 N 0.46 -2.09 3.78 0.00 0.00 0.72 -4.88 105.19 103.18 1cur n GLY 132 Ca 0.05 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.71 4.74 0.23 2.61 2.01 -1.26 -0.45 115.64 122.81 1cur s THR 133 Ca 0.00 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.37 1cur s THR 133 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1cur s THR 133 CO 0.00 0.48 0.04 -0.31 -0.69 0.00 0.00 174.62 174.14 1cur s TYR 134 N -0.66 1.48 0.04 4.92 1.51 0.37 -4.81 117.35 120.21 1cur s TYR 134 Ca 0.32 -1.06 0.03 0.00 -1.01 0.00 0.00 57.07 55.35 1cur s TYR 134 Cb -0.20 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.76 1cur s TYR 134 CO 0.20 -0.20 -0.10 0.71 -1.11 0.00 0.00 175.55 175.05 1cur s TYR 135 N -3.61 0.84 -0.06 2.71 1.51 0.60 -0.50 117.35 118.84 1cur s TYR 135 Ca 0.32 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1cur s TYR 135 Cb 0.07 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1cur s TYR 135 CO 0.10 -0.03 -0.14 1.52 -1.11 0.00 0.00 175.55 175.89 1cur s TYR 136 N -1.08 2.71 0.04 2.71 -0.85 -0.04 -0.53 117.35 120.32 1cur s TYR 136 Ca -0.05 -0.20 -0.04 0.00 -0.52 0.00 0.00 57.07 56.26 1cur s TYR 136 Cb -0.08 -1.65 -0.02 0.00 0.38 0.00 0.00 41.96 40.59 1cur s TYR 136 CO 0.01 0.15 0.05 0.14 -1.52 0.00 0.00 175.55 174.38 1cur s VAL 137 N -0.62 0.16 -0.35 -3.49 -7.23 0.33 -1.79 120.40 107.40 1cur s VAL 137 Ca 0.09 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 1cur s VAL 137 Cb -0.11 -1.04 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1cur s VAL 137 CO 0.01 -0.71 0.39 0.00 -0.31 0.00 0.00 175.10 174.48 1cur n GLN 139 N 5.45 0.14 -1.71 0.00 6.02 -1.26 -3.49 117.38 122.53 1cur n GLN 139 Ca -0.08 0.59 -0.43 0.00 -0.01 0.00 0.00 57.00 57.07 1cur n GLN 139 Cb 0.49 -1.91 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1cur n GLN 139 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1cur n ILE 140 N -2.20 0.08 -1.44 5.09 5.41 -1.26 -4.73 119.36 120.31 1cur n ILE 140 Ca -0.01 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.31 1cur n ILE 140 Cb 0.07 -1.88 0.01 0.00 -0.71 0.00 0.00 39.64 37.13 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 3.70 0.51 0.00 0.38 -0.02 -1.26 -2.48 135.00 135.83 1cur n PRO 141 Ca 0.16 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1cur n PRO 141 Cb 0.34 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.84 1.02 0.33 -1.23 0.00 0.58 -4.76 105.19 102.98 1cur n GLY 142 Ca 0.11 0.00 -0.12 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 -0.88 -0.11 1.61 3.86 -1.75 0.17 115.15 118.05 1cur h HIS 143 Ca 0.00 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1cur h HIS 143 Cb 0.00 0.39 -0.05 0.00 1.06 0.00 0.00 27.41 28.81 1cur h HIS 143 CO 0.00 -0.41 -0.20 0.00 0.86 0.00 0.00 177.93 178.19 1cur h ALA 144 N 0.30 -0.16 -0.79 2.45 0.00 -1.70 0.34 119.26 119.69 1cur h ALA 144 Ca 0.07 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1cur h ALA 144 Cb 0.55 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1cur h ALA 144 CO -0.28 -0.66 0.43 0.00 0.00 0.00 0.00 179.25 178.74 1cur h ALA 145 N 0.74 1.13 -0.05 0.00 0.00 -1.53 -0.17 119.26 119.39 1cur h ALA 145 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cur h ALA 145 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1cur h ALA 145 CO -0.26 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.26 1cur n THR 146 N -4.80 0.07 0.00 0.00 -2.24 0.54 -4.74 114.28 103.11 1cur n THR 146 Ca 0.13 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1cur n THR 146 Cb 0.30 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1cur n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cur n GLY 147 N 0.52 1.01 3.08 3.38 0.00 -0.08 -4.60 105.19 108.50 1cur n GLY 147 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.98 2.88 -0.96 1.61 0.00 0.07 -4.80 117.12 113.95 1cur n MET 148 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 57.70 54.89 1cur n MET 148 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 33.22 29.86 1cur n MET 148 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 175.97 177.94 1cur n PHE 149 N 7.21 -0.42 0.00 1.12 -1.74 -1.26 -2.55 117.46 119.81 1cur n PHE 149 Ca 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.40 1cur n PHE 149 Cb 0.42 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.42 1cur n PHE 149 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1cur n GLY 150 N 0.00 -0.45 3.51 4.97 0.00 -0.74 -4.56 105.19 107.91 1cur n GLY 150 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 1cur n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cur s LYS 151 N -2.00 1.83 -0.00 1.61 1.02 -1.13 -0.86 119.74 120.21 1cur s LYS 151 Ca 0.00 -1.30 0.05 0.00 0.02 0.00 0.00 55.97 54.73 1cur s LYS 151 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 1cur s LYS 151 CO 0.00 0.44 -0.14 0.42 -0.92 0.00 0.00 175.35 175.15 1cur s ILE 152 N -1.51 1.13 -0.21 2.17 1.01 0.35 -0.55 121.20 123.58 1cur s ILE 152 Ca 0.21 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1cur s ILE 152 Cb -0.09 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.48 1cur s ILE 152 CO 0.12 0.26 0.02 -0.69 0.00 0.00 0.00 174.94 174.66 1cur s VAL 153 N -0.43 0.77 -0.36 2.92 1.01 0.91 -0.48 120.40 124.74 1cur s VAL 153 Ca 0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1cur s VAL 153 Cb -0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1cur s VAL 153 CO -0.00 -0.24 0.27 -0.69 0.00 0.00 0.00 175.10 174.44 1cur s VAL 154 N 1.74 5.26 0.00 2.92 1.01 0.40 -0.43 120.40 131.30 1cur s VAL 154 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1cur s VAL 154 Cb -0.17 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1cur s VAL 154 CO -0.09 -0.10 0.00 0.29 0.00 0.00 0.00 175.10 175.20