#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 1.47 0.00 2.61 1.35 -1.88 0.15 112.91 116.61 1cur h THR 2 Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1cur h THR 2 Cb 0.00 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1cur h THR 2 CO 0.00 0.52 0.00 0.18 -0.25 0.00 0.00 175.52 175.97 1cur n LEU 3 N -4.44 0.00 -4.55 3.87 7.99 -1.26 -4.31 117.00 114.30 1cur n LEU 3 Ca -0.09 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.53 1cur n LEU 3 Cb 0.52 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.80 1cur n LEU 3 CO 0.41 0.00 1.39 -0.62 -1.51 0.00 0.00 177.39 177.06 1cur s ASP 4 N -3.85 5.78 0.46 -1.43 3.68 0.54 -4.84 116.67 117.02 1cur s ASP 4 Ca 0.00 -0.41 0.19 0.00 2.13 0.00 0.00 52.55 54.47 1cur s ASP 4 Cb 0.00 -2.55 1.06 0.00 -1.45 0.00 0.00 42.92 39.97 1cur s ASP 4 CO 0.00 -2.09 1.54 0.71 0.13 0.00 0.00 175.17 175.45 1cur h THR 5 N 6.62 0.00 0.00 1.71 1.35 -1.87 -3.27 112.91 117.46 1cur h THR 5 Ca -0.13 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.38 1cur h THR 5 Cb 1.07 0.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1cur h THR 5 CO 1.28 0.00 1.24 0.41 -0.25 0.00 0.00 175.52 178.20 1cur n THR 6 N -2.39 3.22 -3.48 6.82 -1.04 -1.26 -4.87 114.28 111.28 1cur n THR 6 Ca -0.01 -1.76 -0.36 0.00 -2.04 0.00 0.00 64.05 59.88 1cur n THR 6 Cb 0.35 -2.18 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 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 1.67 3.65 0.34 -1.42 0.52 -1.24 -1.77 118.94 120.70 1cur s TRP 7 Ca 0.62 0.95 -0.08 0.00 0.02 0.00 0.00 56.10 57.61 1cur s TRP 7 Cb 0.24 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 1cur s TRP 7 CO -0.02 0.55 0.57 0.15 0.02 0.00 0.00 176.95 178.22 1cur s LYS 8 N -1.58 1.95 0.00 4.98 1.02 -0.22 -4.95 119.74 120.94 1cur s LYS 8 Ca 0.31 -1.57 -0.00 0.00 0.02 0.00 0.00 55.97 54.72 1cur s LYS 8 Cb -0.15 0.50 -0.00 0.00 -0.52 0.00 0.00 37.83 37.66 1cur s LYS 8 CO 0.17 -0.84 -0.00 -1.21 -0.92 0.00 0.00 175.35 172.54 1cur s GLU 9 N -3.01 0.02 0.00 1.68 8.01 -1.26 -0.31 118.70 123.84 1cur s GLU 9 Ca 0.25 -0.04 0.00 0.00 0.01 0.00 0.00 54.97 55.18 1cur s GLU 9 Cb -0.02 0.01 0.00 0.00 -4.31 0.00 0.00 34.13 29.81 1cur s GLU 9 CO 0.16 -0.00 0.00 0.00 0.01 0.00 0.00 175.26 175.42 1cur n ALA 10 N 2.97 0.00 -2.32 5.21 0.00 0.10 -4.86 120.51 121.61 1cur n ALA 10 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 1cur n ALA 10 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 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 2.03 0.33 0.19 0.00 -4.23 -1.26 -0.09 115.64 112.61 1cur s THR 11 Ca 0.00 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.28 1cur s THR 11 Cb 0.00 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.40 1cur s THR 11 CO 0.00 0.00 1.51 -0.11 -0.54 0.00 0.00 174.62 175.48 1cur n LEU 12 N -0.54 -0.83 -0.19 4.79 0.00 -1.21 -0.66 117.00 118.37 1cur n LEU 12 Ca 0.01 1.72 0.13 0.00 0.00 0.00 0.00 56.01 57.87 1cur n LEU 12 Cb 0.65 -0.31 0.44 0.00 0.00 0.00 0.00 43.42 44.20 1cur n LEU 12 CO 0.35 -1.48 1.21 1.55 0.00 0.00 0.00 177.39 179.02 1cur h PRO 13 N 0.00 0.53 0.00 1.96 0.13 -1.98 0.52 132.00 133.16 1cur h PRO 13 Ca 0.25 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1cur h PRO 13 Cb 0.50 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1cur h PRO 13 CO -0.95 0.35 -0.11 1.96 -0.23 0.00 0.00 178.00 179.03 1cur h GLN 14 N 0.55 0.00 -0.46 0.86 7.50 -1.30 -1.58 115.11 120.68 1cur h GLN 14 Ca 0.37 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.58 1cur h GLN 14 Cb 0.68 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.15 1cur h GLN 14 CO -0.13 0.11 0.16 0.28 -1.50 0.00 0.00 178.83 177.75 1cur h VAL 15 N 0.00 0.85 0.13 -0.54 2.07 -0.83 0.15 116.25 118.08 1cur h VAL 15 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1cur h VAL 15 Cb 0.36 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1cur h VAL 15 CO 0.01 0.06 -0.06 0.11 0.02 0.00 0.00 177.57 177.72 1cur h LYS 16 N 0.34 -0.16 -0.56 1.57 1.57 -1.38 0.26 116.57 118.20 1cur h LYS 16 Ca 0.22 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.11 1cur h LYS 16 Cb 0.22 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 1cur h LYS 16 CO -0.22 -0.09 0.12 0.00 -0.57 0.00 0.00 179.45 178.69 1cur h ALA 17 N 0.69 0.66 0.44 3.86 0.00 -0.99 0.86 119.26 124.78 1cur h ALA 17 Ca -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cur h ALA 17 Cb 0.14 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1cur h ALA 17 CO 0.03 -0.30 -0.21 0.52 0.00 0.00 0.00 179.25 179.29 1cur h MET 18 N 0.26 -0.56 -0.68 0.00 2.86 -0.48 -3.12 114.93 113.20 1cur h MET 18 Ca 0.29 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 58.11 1cur h MET 18 Cb 0.41 0.13 -0.11 0.00 0.06 0.00 0.00 31.60 32.09 1cur h MET 18 CO -0.37 -0.31 0.09 -0.07 1.06 0.00 0.00 176.91 177.32 1cur h LEU 19 N -0.72 -0.12 -1.99 1.22 3.38 -0.40 0.09 115.31 116.77 1cur h LEU 19 Ca -0.06 0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.20 1cur h LEU 19 Cb 0.52 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1cur h LEU 19 CO 0.10 -0.08 0.46 -0.33 0.09 0.00 0.00 178.44 178.68 1cur h GLU 20 N 0.20 0.00 -0.01 1.13 5.08 -0.78 0.26 114.58 120.45 1cur h GLU 20 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1cur h GLU 20 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1cur h GLU 20 CO -0.52 0.00 -0.05 1.63 -1.00 0.00 0.00 179.01 179.07 1cur n LYS 21 N -3.89 1.54 -1.23 2.33 5.02 0.01 -4.97 118.16 116.97 1cur n LYS 21 Ca 0.09 -0.92 -0.35 0.00 -2.02 0.00 0.00 58.31 55.11 1cur n LYS 21 Cb 0.66 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 34.29 1cur n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1cur n ASP 22 N 0.08 0.40 -4.39 4.39 5.68 0.08 -4.91 116.55 117.87 1cur n ASP 22 Ca 0.18 0.61 -0.20 0.00 -0.50 0.00 0.00 54.79 54.88 1cur n ASP 22 Cb 0.36 -1.42 -0.10 0.00 -1.14 0.00 0.00 41.12 38.82 1cur n ASP 22 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1cur s THR 23 N -1.96 1.37 0.00 2.12 -4.23 -0.04 -5.02 115.64 107.88 1cur s THR 23 Ca 0.72 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1cur s THR 23 Cb -0.32 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1cur s THR 23 CO 0.52 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1cur n GLY 24 N -0.53 3.23 3.67 3.99 0.00 -1.26 -4.66 105.19 109.63 1cur n GLY 24 Ca -0.05 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.30 4.30 -0.13 1.61 1.02 0.65 -4.72 119.74 118.17 1cur s LYS 25 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.13 1cur s LYS 25 Cb 0.00 -3.63 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 1cur s LYS 25 CO 0.00 -0.56 2.04 0.08 -0.92 0.00 0.00 175.35 175.99 1cur s VAL 26 N 2.92 3.12 -0.50 3.17 1.01 -1.26 -0.62 120.40 128.24 1cur s VAL 26 Ca 0.47 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.66 1cur s VAL 26 Cb -0.17 -3.13 0.27 0.00 0.00 0.00 0.00 36.38 33.35 1cur s VAL 26 CO 0.11 -0.06 0.67 -1.20 0.00 0.00 0.00 175.10 174.62 1cur n SER 27 N 9.75 2.01 0.00 3.32 7.64 0.10 -4.95 113.62 131.50 1cur n SER 27 Ca 0.25 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1cur n SER 27 Cb 0.44 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.92 1.23 0.00 0.23 0.00 -1.26 -0.61 105.19 105.71 1cur n GLY 28 Ca 0.26 0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.68 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 5.91 0.64 -4.71 1.61 5.68 -1.26 -5.00 116.55 119.42 1cur n ASP 29 Ca 0.00 -0.53 -0.29 0.00 -0.50 0.00 0.00 54.79 53.47 1cur n ASP 29 Cb 0.00 1.43 -0.07 0.00 -1.14 0.00 0.00 41.12 41.34 1cur n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1cur s THR 30 N -3.14 4.08 -0.13 2.12 2.01 0.23 -1.79 115.64 119.01 1cur s THR 30 Ca 0.01 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1cur s THR 30 Cb 0.14 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1cur s THR 30 CO 0.84 0.03 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.99 1cur s VAL 31 N -1.48 3.16 -0.21 3.82 1.01 0.29 0.03 120.40 127.03 1cur s VAL 31 Ca 0.27 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1cur s VAL 31 Cb -0.11 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1cur s VAL 31 CO 0.20 0.53 -0.11 -0.89 0.00 0.00 0.00 175.10 174.82 1cur s THR 32 N 0.27 2.81 0.27 3.92 2.01 0.21 -0.99 115.64 124.13 1cur s THR 32 Ca -0.09 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.14 1cur s THR 32 Cb -0.15 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.04 1cur s THR 32 CO 0.05 0.45 0.55 -0.31 -0.69 0.00 0.00 174.62 174.68 1cur s TYR 33 N 1.39 3.46 -0.39 4.92 2.02 0.28 -0.25 117.35 128.78 1cur s TYR 33 Ca 0.05 0.72 0.10 0.00 -0.37 0.00 0.00 57.07 57.57 1cur s TYR 33 Cb -0.14 -2.16 0.39 0.00 -0.40 0.00 0.00 41.96 39.66 1cur s TYR 33 CO -0.07 0.20 1.24 0.43 -1.57 0.00 0.00 175.55 175.78 1cur n SER 34 N -0.67 -1.28 -3.64 2.29 7.64 -1.26 -4.43 113.62 112.27 1cur n SER 34 Ca -0.01 -2.67 -0.03 0.00 1.01 0.00 0.00 58.87 57.17 1cur n SER 34 Cb 0.53 0.80 -0.01 0.00 -1.01 0.00 0.00 64.21 64.52 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 -1.59 -0.34 0.13 0.23 0.00 -1.26 -5.05 107.32 99.43 1cur s GLY 35 Ca 0.23 0.72 -0.09 0.00 0.00 0.00 0.00 44.72 45.59 1cur s GLY 35 CO -0.06 0.19 1.35 0.50 0.00 0.00 0.00 173.10 175.08 1cur h LYS 36 N 2.00 0.65 -6.47 2.90 1.57 -1.95 -3.40 116.57 111.87 1cur h LYS 36 Ca -0.23 -0.54 -0.55 0.00 -1.87 0.00 0.00 60.65 57.46 1cur h LYS 36 Cb 1.21 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.56 1cur h LYS 36 CO 0.27 1.16 1.01 0.95 -0.57 0.00 0.00 179.45 182.27 1cur s THR 37 N -3.68 3.89 -0.17 -0.16 -4.23 -1.26 -0.02 115.64 110.01 1cur s THR 37 Ca -0.09 0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1cur s THR 37 Cb 0.09 -4.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.09 1cur s THR 37 CO 0.88 -1.57 -0.00 -0.69 -0.54 0.00 0.00 174.62 172.70 1cur s VAL 38 N 5.28 4.11 -0.30 2.29 1.01 -0.49 -4.98 120.40 127.33 1cur s VAL 38 Ca 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1cur s VAL 38 Cb -0.08 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1cur s VAL 38 CO 0.21 0.47 0.09 -2.28 0.00 0.00 0.00 175.10 173.58 1cur s HIS 39 N 0.55 1.64 0.08 5.22 2.46 -1.25 -0.39 115.29 123.60 1cur s HIS 39 Ca -0.01 -1.63 -0.14 0.00 0.47 0.00 0.00 55.06 53.75 1cur s HIS 39 Cb -0.14 -1.63 -0.06 0.00 -0.13 0.00 0.00 32.58 30.62 1cur s HIS 39 CO 0.02 -0.85 0.47 0.08 -2.47 0.00 0.00 174.74 172.00 1cur s VAL 40 N 1.64 4.95 -0.21 0.89 1.01 0.06 -0.86 120.40 127.88 1cur s VAL 40 Ca 0.08 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1cur s VAL 40 Cb -0.17 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1cur s VAL 40 CO -0.23 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.45 1cur s VAL 41 N -1.30 1.79 -0.24 2.92 1.01 -1.26 -0.64 120.40 122.69 1cur s VAL 41 Ca 0.32 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1cur s VAL 41 Cb -0.16 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.42 1cur s VAL 41 CO 0.17 0.15 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 1cur s ALA 42 N 1.33 2.42 0.25 5.51 0.00 0.25 -0.73 121.76 130.78 1cur s ALA 42 Ca -0.02 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 1cur s ALA 42 Cb -0.17 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.40 1cur s ALA 42 CO -0.08 -1.02 0.58 0.00 0.00 0.00 0.00 175.76 175.25 1cur s ALA 43 N 1.19 3.52 -0.24 0.00 0.00 0.14 -0.63 121.76 125.74 1cur s ALA 43 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1cur s ALA 43 Cb -0.18 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.50 1cur s ALA 43 CO -0.07 0.47 -0.05 0.00 0.00 0.00 0.00 175.76 176.12 1cur s ALA 44 N -1.84 2.06 -0.24 0.00 0.00 -0.07 0.11 121.76 121.78 1cur s ALA 44 Ca 0.48 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1cur s ALA 44 Cb -0.11 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.55 1cur s ALA 44 CO 0.20 -1.23 0.30 0.28 0.00 0.00 0.00 175.76 175.31 1cur n VAL 45 N 4.63 -4.76 -2.54 0.00 0.31 -0.30 -3.87 118.33 111.80 1cur n VAL 45 Ca -0.11 0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 64.34 1cur n VAL 45 Cb 0.44 -4.07 -0.03 0.00 -0.91 0.00 0.00 33.84 29.26 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 -1.75 4.35 -0.47 7.52 1.43 -1.26 -3.24 118.68 125.25 1cur s LEU 46 Ca 0.16 1.84 -0.43 0.00 -1.03 0.00 0.00 54.13 54.67 1cur s LEU 46 Cb -0.02 -3.57 -0.18 0.00 0.03 0.00 0.00 46.19 42.45 1cur s LEU 46 CO 0.48 -0.42 2.09 -2.65 0.23 0.00 0.00 176.35 176.08 1cur n PRO 47 N 4.19 0.21 0.00 1.29 -0.02 -1.26 -0.81 135.00 138.61 1cur n PRO 47 Ca 0.08 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1cur n PRO 47 Cb 0.48 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 6.92 4.03 3.64 -1.23 0.00 -1.26 -5.08 105.19 112.20 1cur n GLY 48 Ca 0.50 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 3.15 -1.58 1.61 0.40 0.01 -4.94 117.98 116.64 1cur s PHE 49 Ca 0.00 1.19 -0.10 0.00 -0.60 0.00 0.00 56.93 57.43 1cur s PHE 49 Cb 0.00 -3.69 -0.09 0.00 0.51 0.00 0.00 43.02 39.75 1cur s PHE 49 CO 0.00 -0.77 2.92 -0.35 0.70 0.00 0.00 175.22 177.72 1cur n PRO 50 N 6.87 3.60 -1.25 0.24 -0.04 -1.26 -4.63 135.00 138.53 1cur n PRO 50 Ca 0.12 -2.15 0.16 0.00 -0.04 0.00 0.00 63.50 61.59 1cur n PRO 50 Cb 0.47 -2.77 -0.06 0.00 -0.04 0.00 0.00 33.50 31.10 1cur n PRO 50 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1cur n PHE 51 N 3.61 -3.25 -1.73 0.54 3.01 -1.26 -4.99 117.46 113.39 1cur n PHE 51 Ca 0.77 1.70 -0.10 0.00 1.01 0.00 0.00 57.45 60.83 1cur n PHE 51 Cb 0.23 -2.96 0.13 0.00 -0.01 0.00 0.00 39.48 36.86 1cur n PHE 51 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1cur n PRO 52 N -4.07 2.49 -3.37 -1.08 -0.04 -1.26 -5.11 135.00 122.56 1cur n PRO 52 Ca -0.03 -3.63 -0.36 0.00 -0.04 0.00 0.00 63.50 59.44 1cur n PRO 52 Cb 0.58 -1.95 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 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 -3.18 6.87 -0.61 3.54 1.04 -1.26 -3.65 113.70 116.46 1cur s SER 53 Ca 0.46 1.09 -0.24 0.00 0.48 0.00 0.00 55.95 57.74 1cur s SER 53 Cb 0.40 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 64.27 1cur s SER 53 CO -0.01 0.18 1.00 -0.36 0.98 0.00 0.00 173.24 175.03 1cur s PHE 54 N -1.33 2.69 -0.72 5.02 0.08 -1.26 -1.15 117.98 121.31 1cur s PHE 54 Ca 0.34 -0.15 -0.19 0.00 0.12 0.00 0.00 56.93 57.06 1cur s PHE 54 Cb -0.16 -4.23 0.12 0.00 -0.57 0.00 0.00 43.02 38.18 1cur s PHE 54 CO 0.18 -1.54 0.85 -1.21 -0.10 0.00 0.00 175.22 173.40 1cur s GLU 55 N 4.26 3.27 0.32 0.44 2.02 0.12 -0.15 118.70 128.98 1cur s GLU 55 Ca 0.29 -1.55 -0.16 0.00 0.02 0.00 0.00 54.97 53.58 1cur s GLU 55 Cb -0.13 -4.45 -0.09 0.00 0.10 0.00 0.00 34.13 29.56 1cur s GLU 55 CO 0.16 -1.59 0.76 0.08 0.02 0.00 0.00 175.26 174.69 1cur s VAL 56 N 2.46 4.64 0.01 2.63 1.01 0.77 -0.68 120.40 131.24 1cur s VAL 56 Ca 0.19 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 1cur s VAL 56 Cb -0.17 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1cur s VAL 56 CO 0.01 -0.16 0.07 0.00 0.00 0.00 0.00 175.10 175.02 1cur n HIS 57 N -0.30 -0.01 0.28 5.22 1.44 0.09 -0.63 115.22 121.32 1cur n HIS 57 Ca 0.03 0.06 0.03 0.00 -2.01 0.00 0.00 57.72 55.83 1cur n HIS 57 Cb 0.53 -0.51 -0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -4.06 0.84 -3.74 4.39 2.03 -1.26 -5.05 116.55 109.68 1cur n ASP 58 Ca 0.00 -0.92 -0.14 0.00 0.52 0.00 0.00 54.79 54.26 1cur n ASP 58 Cb 0.02 0.57 -0.09 0.00 -0.72 0.00 0.00 41.12 40.90 1cur n ASP 58 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1cur s LYS 59 N -1.14 0.66 -0.23 -0.67 1.02 0.20 -5.13 119.74 114.44 1cur s LYS 59 Ca 0.05 -0.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.84 1cur s LYS 59 Cb 0.05 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 1cur s LYS 59 CO 0.18 -0.17 0.29 0.15 -0.92 0.00 0.00 175.35 174.88 1cur s LYS 60 N -1.10 4.09 -1.31 1.68 1.02 -1.26 -0.16 119.74 122.70 1cur s LYS 60 Ca -0.11 -0.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.80 1cur s LYS 60 Cb -0.05 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1cur s LYS 60 CO 0.04 -0.06 0.97 0.09 -0.92 0.00 0.00 175.35 175.47 1cur n ASN 61 N 4.61 -3.23 -4.59 2.83 3.02 0.79 -4.92 115.26 113.78 1cur n ASN 61 Ca -0.11 -0.67 -0.27 0.00 -0.03 0.00 0.00 54.58 53.49 1cur n ASN 61 Cb 0.51 -4.67 0.12 0.00 -0.61 0.00 0.00 39.78 35.13 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 -5.91 1.51 0.28 3.52 0.04 -1.26 -4.68 135.00 128.50 1cur s PRO 62 Ca 0.23 -0.42 -0.15 0.00 0.04 0.00 0.00 61.00 60.70 1cur s PRO 62 Cb -0.11 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1cur s PRO 62 CO 0.76 -1.75 0.70 0.99 0.04 0.00 0.00 177.00 177.75 1cur s THR 63 N -3.50 4.69 -0.08 1.26 2.01 -0.74 -4.12 115.64 115.16 1cur s THR 63 Ca 0.66 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.67 1cur s THR 63 Cb -0.07 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 1cur s THR 63 CO 0.48 -0.07 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.34 1cur s LEU 64 N -2.72 2.13 -0.27 4.42 1.02 0.55 -0.55 118.68 123.27 1cur s LEU 64 Ca 0.50 -0.51 -0.06 0.00 0.02 0.00 0.00 54.13 54.08 1cur s LEU 64 Cb -0.12 -1.40 0.00 0.00 0.02 0.00 0.00 46.19 44.69 1cur s LEU 64 CO 0.19 0.21 0.04 -1.61 0.02 0.00 0.00 176.35 175.19 1cur s GLU 65 N 0.05 3.16 0.05 1.70 0.41 -0.16 -0.43 118.70 123.48 1cur s GLU 65 Ca -0.10 -0.80 0.08 0.00 -0.41 0.00 0.00 54.97 53.74 1cur s GLU 65 Cb -0.16 -3.24 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1cur s GLU 65 CO 0.06 -0.37 -0.21 0.42 -0.49 0.00 0.00 175.26 174.67 1cur s ILE 66 N 1.48 1.69 -0.08 -1.63 1.01 0.25 -0.56 121.20 123.36 1cur s ILE 66 Ca 0.03 -1.27 -0.25 0.00 0.00 0.00 0.00 60.65 59.17 1cur s ILE 66 Cb -0.16 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1cur s ILE 66 CO 0.00 0.16 0.76 -2.16 0.00 0.00 0.00 174.94 173.71 1cur s PRO 67 N -1.31 4.42 0.66 2.79 0.04 -1.26 -0.45 135.00 139.89 1cur s PRO 67 Ca 0.07 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 1cur s PRO 67 Cb -0.09 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1cur s PRO 67 CO 0.02 -0.04 0.60 0.00 0.04 0.00 0.00 177.00 177.62 1cur n ALA 68 N 4.13 -1.12 0.00 8.56 0.00 0.38 -3.08 120.51 129.39 1cur n ALA 68 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1cur n ALA 68 Cb 0.51 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.62 2.20 3.43 0.00 0.00 0.15 -4.96 105.19 107.64 1cur n GLY 69 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -1.54 -2.54 4.61 0.00 -1.18 -4.66 120.51 115.21 1cur n ALA 70 Ca 0.00 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 1cur n ALA 70 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.68 3.79 -1.03 0.00 2.01 0.97 -4.09 115.64 115.61 1cur s THR 71 Ca 0.65 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.37 1cur s THR 71 Cb -0.50 -4.94 0.05 0.00 0.01 0.00 0.00 72.50 67.11 1cur s THR 71 CO 0.57 -1.86 1.49 -0.69 -0.69 0.00 0.00 174.62 173.44 1cur s VAL 72 N 5.57 3.91 0.05 3.82 1.01 0.11 -1.39 120.40 133.47 1cur s VAL 72 Ca 0.40 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1cur s VAL 72 Cb -0.05 -5.02 -0.05 0.00 0.00 0.00 0.00 36.38 31.26 1cur s VAL 72 CO 0.05 -1.90 0.85 -1.81 0.00 0.00 0.00 175.10 172.30 1cur s ASP 73 N 5.08 7.31 -0.19 3.32 1.01 0.48 -0.47 116.67 133.21 1cur s ASP 73 Ca 0.47 1.57 -0.02 0.00 0.71 0.00 0.00 52.55 55.28 1cur s ASP 73 Cb -0.00 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.47 1cur s ASP 73 CO -0.09 -0.06 0.01 -0.69 0.21 0.00 0.00 175.17 174.55 1cur s VAL 74 N 0.20 0.72 -0.17 -1.27 1.01 0.11 -0.76 120.40 120.23 1cur s VAL 74 Ca 0.43 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 1cur s VAL 74 Cb -0.21 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1cur s VAL 74 CO 0.25 -0.15 0.52 -0.89 0.00 0.00 0.00 175.10 174.84 1cur s THR 75 N 1.77 5.12 0.32 3.92 2.01 0.19 -0.95 115.64 128.03 1cur s THR 75 Ca -0.01 0.99 -0.00 0.00 0.31 0.00 0.00 61.69 62.97 1cur s THR 75 Cb -0.17 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1cur s THR 75 CO -0.07 0.22 0.53 -0.36 -0.69 0.00 0.00 174.62 174.25 1cur s PHE 76 N 1.35 3.50 -0.42 4.92 0.08 -0.07 -0.58 117.98 126.76 1cur s PHE 76 Ca 0.25 0.39 0.09 0.00 0.12 0.00 0.00 56.93 57.78 1cur s PHE 76 Cb -0.15 -1.92 0.27 0.00 -0.57 0.00 0.00 43.02 40.65 1cur s PHE 76 CO 0.10 0.15 0.60 -0.89 -0.10 0.00 0.00 175.22 175.08 1cur n ILE 77 N -1.55 -0.17 -3.14 0.64 -0.00 0.20 -3.05 119.36 112.30 1cur n ILE 77 Ca -0.04 -4.30 -0.44 0.00 -0.00 0.00 0.00 62.75 57.96 1cur n ILE 77 Cb 0.56 -1.60 0.00 0.00 -0.00 0.00 0.00 39.64 38.60 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 1.06 5.72 0.00 4.38 5.15 -0.98 -0.89 115.26 129.70 1cur n ASN 78 Ca 0.23 -3.14 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 1cur n ASN 78 Cb 0.54 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 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 2.57 0.00 0.00 -0.44 -2.24 -1.25 -4.68 114.28 108.24 1cur n THR 79 Ca 0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1cur n THR 79 Cb 0.38 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1cur n THR 79 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cur n ASN 80 N -1.22 0.00 -0.03 3.42 2.85 -1.20 -4.07 115.26 115.01 1cur n ASN 80 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1cur n ASN 80 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1cur n ASN 80 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1cur n LYS 81 N 0.00 0.00 0.00 1.20 5.02 -1.26 -4.62 118.16 118.50 1cur n LYS 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cur n LYS 81 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.71 -0.98 3.52 0.72 0.00 -1.26 -4.95 105.19 101.54 1cur n GLY 82 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 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 2.68 -1.00 1.61 0.40 -1.26 -4.92 117.98 115.49 1cur s PHE 83 Ca 0.00 -0.92 -0.26 0.00 -0.60 0.00 0.00 56.93 55.15 1cur s PHE 83 Cb 0.00 -4.55 -0.19 0.00 0.51 0.00 0.00 43.02 38.78 1cur s PHE 83 CO 0.00 -1.81 2.19 0.20 0.70 0.00 0.00 175.22 176.51 1cur s GLY 84 N 4.43 -0.98 -0.90 4.36 0.00 -1.26 -4.76 107.32 108.21 1cur s GLY 84 Ca 0.40 -1.30 -0.23 0.00 0.00 0.00 0.00 44.72 43.58 1cur s GLY 84 CO -0.07 4.24 1.91 1.42 0.00 0.00 0.00 173.10 180.60 1cur n HIS 85 N 19.15 2.04 -1.47 1.90 8.25 -1.26 -4.33 115.22 139.49 1cur n HIS 85 Ca 0.43 -1.48 -0.51 0.00 -0.26 0.00 0.00 57.72 55.90 1cur n HIS 85 Cb 0.46 -2.05 -0.04 0.00 1.12 0.00 0.00 29.99 29.47 1cur n HIS 85 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1cur n SER 86 N 11.08 -0.26 -4.41 0.41 3.41 -1.25 -4.95 113.62 117.65 1cur n SER 86 Ca 0.47 1.14 -0.36 0.00 -0.26 0.00 0.00 58.87 59.86 1cur n SER 86 Cb 0.43 -1.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.24 1cur n SER 86 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cur s PHE 87 N -0.60 3.05 -0.23 7.33 2.19 -1.26 -3.80 117.98 124.67 1cur s PHE 87 Ca 0.72 -0.56 -0.01 0.00 0.33 0.00 0.00 56.93 57.41 1cur s PHE 87 Cb -0.99 -2.20 0.06 0.00 -1.31 0.00 0.00 43.02 38.58 1cur s PHE 87 CO 0.56 -0.41 -0.00 -0.51 1.83 0.00 0.00 175.22 176.69 1cur s ASP 88 N 1.58 3.52 0.11 6.13 1.11 0.82 -0.77 116.67 129.16 1cur s ASP 88 Ca 0.06 -1.11 -0.29 0.00 0.18 0.00 0.00 52.55 51.39 1cur s ASP 88 Cb -0.15 -0.93 -0.06 0.00 1.07 0.00 0.00 42.92 42.85 1cur s ASP 88 CO 0.02 -0.28 0.93 -0.63 1.18 0.00 0.00 175.17 176.38 1cur s ILE 89 N 1.59 4.52 0.00 0.77 1.01 0.03 -1.11 121.20 128.01 1cur s ILE 89 Ca -0.02 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1cur s ILE 89 Cb -0.18 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1cur s ILE 89 CO -0.09 0.33 0.00 1.07 0.00 0.00 0.00 174.94 176.25 1cur n THR 90 N 2.75 0.00 -0.67 2.92 5.66 0.20 -0.84 114.28 124.31 1cur n THR 90 Ca 0.01 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.04 1cur n THR 90 Cb 0.49 0.00 0.03 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 1.65 -1.90 1.09 5.02 -1.26 -0.11 118.16 122.64 1cur n LYS 91 Ca 0.00 -1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 54.39 1cur n LYS 91 Cb 0.00 -0.95 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.10 4.18 0.69 1.97 -0.14 -1.26 -4.80 119.74 119.28 1cur s LYS 92 Ca 0.07 2.33 -0.06 0.00 -1.36 0.00 0.00 55.97 56.96 1cur s LYS 92 Cb 0.06 -3.93 0.07 0.00 -1.68 0.00 0.00 37.83 32.35 1cur s LYS 92 CO 0.01 -0.84 0.99 0.20 -0.76 0.00 0.00 175.35 174.94 1cur s GLY 93 N 3.37 1.72 0.86 -3.33 0.00 -1.26 -4.65 107.32 104.02 1cur s GLY 93 Ca 0.77 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.34 1cur s GLY 93 CO 0.33 -0.62 1.09 2.56 0.00 0.00 0.00 173.10 176.46 1cur s PRO 94 N -5.20 1.59 0.25 2.90 0.04 -1.26 -4.45 135.00 128.87 1cur s PRO 94 Ca 0.61 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 1cur s PRO 94 Cb -0.10 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1cur s PRO 94 CO 0.44 -2.01 1.05 -1.25 0.04 0.00 0.00 177.00 175.26 1cur s PRO 95 N -4.97 4.70 0.46 0.56 0.04 -1.26 -5.15 135.00 129.38 1cur s PRO 95 Ca 0.62 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 1cur s PRO 95 Cb -0.17 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.03 1cur s PRO 95 CO 0.56 0.28 0.97 0.71 0.04 0.00 0.00 177.00 179.56 1cur s TYR 96 N -0.98 3.33 0.07 0.56 2.02 -1.26 -5.06 117.35 116.04 1cur s TYR 96 Ca 0.44 1.57 -0.01 0.00 -0.37 0.00 0.00 57.07 58.70 1cur s TYR 96 Cb -0.29 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 1cur s TYR 96 CO 0.37 -0.23 0.25 0.00 -1.57 0.00 0.00 175.55 174.37 1cur s ALA 97 N -2.29 3.96 0.36 3.71 0.00 -1.26 -4.44 121.76 121.79 1cur s ALA 97 Ca 0.61 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1cur s ALA 97 Cb -0.10 -1.90 0.67 0.00 0.00 0.00 0.00 23.12 21.79 1cur s ALA 97 CO 0.19 0.79 1.94 0.28 0.00 0.00 0.00 175.76 178.95 1cur h VAL 98 N 2.12 1.17 -3.51 0.00 2.07 -1.86 -3.37 116.25 112.87 1cur h VAL 98 Ca -0.45 -0.58 -0.52 0.00 0.82 0.00 0.00 66.70 65.97 1cur h VAL 98 Cb 1.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1cur h VAL 98 CO 0.75 0.21 0.41 -0.04 0.02 0.00 0.00 177.57 178.92 1cur s MET 99 N -5.19 4.63 -0.30 1.57 -1.94 -1.26 -0.45 119.30 116.36 1cur s MET 99 Ca -0.08 1.55 -0.12 0.00 -1.71 0.00 0.00 55.69 55.33 1cur s MET 99 Cb 0.16 -3.36 -0.12 0.00 2.01 0.00 0.00 34.83 33.52 1cur s MET 99 CO 0.76 0.10 1.50 -2.30 -0.01 0.00 0.00 175.02 175.07 1cur n PRO 100 N 2.91 0.64 -1.28 2.03 -0.02 -1.26 -4.75 135.00 133.27 1cur n PRO 100 Ca 0.03 -1.01 -0.33 0.00 -2.02 0.00 0.00 63.50 60.18 1cur n PRO 100 Cb 0.48 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1cur n PRO 100 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1cur n VAL 101 N 5.45 4.06 0.09 -1.45 0.31 -1.26 -4.47 118.33 121.06 1cur n VAL 101 Ca 0.27 -2.45 -0.21 0.00 -0.01 0.00 0.00 64.34 61.95 1cur n VAL 101 Cb 0.18 -2.42 -0.15 0.00 -0.91 0.00 0.00 33.84 30.54 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 2.72 1.15 -3.08 2.52 -2.65 -1.97 -3.48 117.51 112.72 1cur h ILE 102 Ca 0.70 -2.71 -0.58 0.00 1.03 0.00 0.00 64.86 63.30 1cur h ILE 102 Cb 0.58 2.85 0.13 0.00 -2.05 0.00 0.00 36.82 38.33 1cur h ILE 102 CO 1.39 0.84 0.20 0.47 0.03 0.00 0.00 178.15 181.08 1cur n ASP 103 N -3.57 1.40 -4.81 2.16 8.00 -1.26 -4.42 116.55 114.04 1cur n ASP 103 Ca -0.18 1.05 -0.30 0.00 0.71 0.00 0.00 54.79 56.06 1cur n ASP 103 Cb 1.07 -1.37 0.07 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.01 2.53 0.04 -0.24 0.04 -1.26 -5.02 135.00 129.07 1cur s PRO 104 Ca 0.63 0.78 0.08 0.00 0.04 0.00 0.00 61.00 62.53 1cur s PRO 104 Cb -0.56 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1cur s PRO 104 CO 0.57 -1.35 -0.22 0.42 0.04 0.00 0.00 177.00 176.46 1cur s ILE 105 N -3.11 2.45 0.00 0.56 -1.09 -1.26 -4.73 121.20 114.01 1cur s ILE 105 Ca 0.59 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1cur s ILE 105 Cb -0.14 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1cur s ILE 105 CO 0.55 0.37 0.00 0.52 -1.23 0.00 0.00 174.94 175.14 1cur n VAL 106 N 1.71 0.00 -3.04 2.92 0.31 -0.02 -4.84 118.33 115.37 1cur n VAL 106 Ca -0.17 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.72 1cur n VAL 106 Cb 0.52 -0.64 -0.02 0.00 -0.91 0.00 0.00 33.84 32.79 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 -4.36 3.72 -0.17 3.52 0.00 -1.12 -4.93 121.76 118.42 1cur s ALA 107 Ca 0.00 -3.06 -0.20 0.00 0.00 0.00 0.00 51.96 48.70 1cur s ALA 107 Cb 0.00 -3.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1cur s ALA 107 CO 0.00 -2.75 0.56 0.20 0.00 0.00 0.00 175.76 173.78 1cur s GLY 108 N 3.03 2.18 0.05 0.00 0.00 -1.26 -0.79 107.32 110.53 1cur s GLY 108 Ca 0.31 -0.27 -0.16 0.00 0.00 0.00 0.00 44.72 44.60 1cur s GLY 108 CO -0.08 1.11 1.15 -0.91 0.00 0.00 0.00 173.10 174.37 1cur h THR 109 N 5.03 1.33 0.00 0.90 1.35 -1.33 -3.34 112.91 116.84 1cur h THR 109 Ca -0.35 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 1cur h THR 109 Cb 1.16 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1cur h THR 109 CO 0.76 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 177.30 1cur n GLY 110 N 1.10 -1.58 3.81 5.82 0.00 -1.26 -0.34 105.19 112.73 1cur n GLY 110 Ca -0.11 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.01 3.73 0.55 1.61 0.08 0.53 -3.78 117.98 120.68 1cur s PHE 111 Ca 0.00 1.11 -0.09 0.00 0.12 0.00 0.00 56.93 58.07 1cur s PHE 111 Cb 0.00 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1cur s PHE 111 CO 0.00 0.54 0.92 -1.54 -0.10 0.00 0.00 175.22 175.03 1cur s SER 112 N -0.79 6.29 -1.16 1.36 1.04 -1.26 -4.84 113.70 114.33 1cur s SER 112 Ca 0.27 1.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 1cur s SER 112 Cb -0.18 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1cur s SER 112 CO 0.15 -0.71 1.96 -0.81 0.98 0.00 0.00 173.24 174.82 1cur n PRO 113 N -2.39 2.25 -1.65 4.02 -0.04 -1.26 -4.72 135.00 131.20 1cur n PRO 113 Ca 0.04 -2.51 -0.48 0.00 -0.04 0.00 0.00 63.50 60.51 1cur n PRO 113 Cb 0.54 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.63 1cur n PRO 113 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cur n VAL 114 N 6.29 0.06 -1.84 0.52 0.24 -1.26 -4.51 118.33 117.82 1cur n VAL 114 Ca 0.49 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.34 62.48 1cur n VAL 114 Cb 0.43 -1.41 0.17 0.00 -1.47 0.00 0.00 33.84 31.56 1cur n VAL 114 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1cur s PRO 115 N 1.16 0.73 -0.03 7.34 0.04 -1.26 -4.86 135.00 138.11 1cur s PRO 115 Ca 0.82 -0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1cur s PRO 115 Cb -0.75 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1cur s PRO 115 CO 0.42 -2.38 0.02 1.63 0.04 0.00 0.00 177.00 176.72 1cur n LYS 116 N -3.77 3.19 -3.59 4.56 4.76 -1.26 -4.24 118.16 117.79 1cur n LYS 116 Ca 0.14 -0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.52 1cur n LYS 116 Cb 0.60 -1.10 -0.03 0.00 -1.84 0.00 0.00 35.03 32.66 1cur n LYS 116 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1cur s ASP 117 N -3.40 -0.18 0.00 4.39 3.68 -1.26 -5.03 116.67 114.87 1cur s ASP 117 Ca -0.02 0.09 0.00 0.00 2.13 0.00 0.00 52.55 54.75 1cur s ASP 117 Cb 0.01 0.17 0.00 0.00 -1.45 0.00 0.00 42.92 41.65 1cur s ASP 117 CO 0.15 -0.25 0.00 0.61 0.13 0.00 0.00 175.17 175.82 1cur n GLY 118 N 0.19 0.87 3.85 2.66 0.00 -1.26 -4.88 105.19 106.62 1cur n GLY 118 Ca -0.03 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 3.54 -0.35 1.61 1.02 -1.26 -3.35 119.74 120.95 1cur s LYS 119 Ca 0.00 0.84 -0.00 0.00 0.02 0.00 0.00 55.97 56.83 1cur s LYS 119 Cb 0.00 -2.07 0.12 0.00 -0.52 0.00 0.00 37.83 35.36 1cur s LYS 119 CO 0.00 -0.61 0.17 -0.06 -0.92 0.00 0.00 175.35 173.93 1cur s PHE 120 N -3.03 1.23 -0.26 3.18 0.40 0.87 -4.72 117.98 115.65 1cur s PHE 120 Ca 0.57 -1.72 -0.34 0.00 -0.60 0.00 0.00 56.93 54.83 1cur s PHE 120 Cb -0.12 -1.37 -0.11 0.00 0.51 0.00 0.00 43.02 41.94 1cur s PHE 120 CO 0.49 -0.83 2.09 0.41 0.70 0.00 0.00 175.22 178.08 1cur n GLY 121 N 4.35 0.85 3.75 4.36 0.00 -1.26 -0.72 105.19 116.51 1cur n GLY 121 Ca 0.04 0.89 -0.32 0.00 0.00 0.00 0.00 46.02 46.63 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 6.40 1.96 0.04 1.61 1.13 0.58 -2.31 117.35 126.75 1cur s TYR 122 Ca 1.03 -0.90 -0.25 0.00 -1.41 0.00 0.00 57.07 55.54 1cur s TYR 122 Cb -0.75 -1.66 0.06 0.00 -1.10 0.00 0.00 41.96 38.52 1cur s TYR 122 CO 0.49 0.22 0.58 0.99 -2.51 0.00 0.00 175.55 175.32 1cur s THR 123 N -2.84 0.02 -0.42 -3.49 2.01 -1.17 -1.05 115.64 108.69 1cur s THR 123 Ca 0.12 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1cur s THR 123 Cb 0.03 -0.98 0.14 0.00 0.01 0.00 0.00 72.50 71.69 1cur s THR 123 CO 0.06 -0.07 0.24 -1.81 -0.69 0.00 0.00 174.62 172.35 1cur s ASP 124 N -1.86 3.48 0.48 3.53 1.11 -0.73 -0.89 116.67 121.80 1cur s ASP 124 Ca -0.06 -2.56 0.05 0.00 0.18 0.00 0.00 52.55 50.15 1cur s ASP 124 Cb -0.01 -0.90 0.02 0.00 1.07 0.00 0.00 42.92 43.10 1cur s ASP 124 CO -0.00 -0.27 0.67 0.72 1.18 0.00 0.00 175.17 177.47 1cur s PHE 125 N 0.47 2.82 -0.06 4.23 -0.12 -0.12 -4.82 117.98 120.37 1cur s PHE 125 Ca 0.18 -0.22 -0.16 0.00 -0.05 0.00 0.00 56.93 56.68 1cur s PHE 125 Cb -0.23 -2.55 0.03 0.00 -0.63 0.00 0.00 43.02 39.64 1cur s PHE 125 CO -0.00 -0.64 0.37 0.99 -0.05 0.00 0.00 175.22 175.88 1cur s THR 126 N -2.54 0.03 0.03 -4.49 2.01 -1.26 -0.71 115.64 108.70 1cur s THR 126 Ca 0.56 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 1cur s THR 126 Cb -0.10 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.81 1cur s THR 126 CO 0.36 -0.15 0.33 0.86 -0.69 0.00 0.00 174.62 175.32 1cur s TRP 127 N -0.79 -0.16 -0.25 4.92 -0.00 0.38 -4.98 118.94 118.07 1cur s TRP 127 Ca -0.09 0.11 -0.01 0.00 -0.00 0.00 0.00 56.10 56.11 1cur s TRP 127 Cb -0.04 0.12 0.03 0.00 -0.00 0.00 0.00 33.47 33.58 1cur s TRP 127 CO 0.03 -0.49 -0.08 -1.01 -0.00 0.00 0.00 176.95 175.41 1cur s HIS 128 N -2.21 3.08 0.11 5.86 3.76 -1.26 0.05 115.29 124.68 1cur s HIS 128 Ca -0.07 -1.72 -0.17 0.00 -0.15 0.00 0.00 55.06 52.95 1cur s HIS 128 Cb -0.02 -2.03 -0.07 0.00 1.11 0.00 0.00 32.58 31.58 1cur s HIS 128 CO -0.01 -0.77 0.56 -1.25 -0.85 0.00 0.00 174.74 172.42 1cur s PRO 129 N 1.28 4.09 0.07 8.40 0.04 -1.26 -4.89 135.00 142.73 1cur s PRO 129 Ca -0.01 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 1cur s PRO 129 Cb -0.17 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1cur s PRO 129 CO -0.05 0.56 0.34 0.95 0.04 0.00 0.00 177.00 178.84 1cur s THR 130 N -1.28 5.20 0.60 1.26 -4.23 -1.26 -0.67 115.64 115.27 1cur s THR 130 Ca 0.33 0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.85 1cur s THR 130 Cb -0.17 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1cur s THR 130 CO 0.19 0.24 1.10 0.00 -0.54 0.00 0.00 174.62 175.61 1cur n ALA 131 N 0.74 0.60 0.00 3.99 0.00 -1.26 -4.60 120.51 119.98 1cur n ALA 131 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1cur n ALA 131 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1cur n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cur n GLY 132 N 1.13 0.17 3.37 0.00 0.00 0.72 -4.95 105.19 105.62 1cur n GLY 132 Ca 0.14 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 0.02 0.36 2.61 2.01 -1.26 -0.71 115.64 118.66 1cur s THR 133 Ca 0.00 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1cur s THR 133 Cb 0.00 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1cur s THR 133 CO 0.00 -0.09 0.15 -0.31 -0.69 0.00 0.00 174.62 173.68 1cur s TYR 134 N -0.61 1.73 0.03 4.92 1.51 0.61 -4.85 117.35 120.69 1cur s TYR 134 Ca -0.07 -1.34 -0.04 0.00 -1.01 0.00 0.00 57.07 54.62 1cur s TYR 134 Cb -0.03 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 1cur s TYR 134 CO 0.04 -0.42 0.05 0.71 -1.11 0.00 0.00 175.55 174.82 1cur s TYR 135 N -3.37 0.22 -0.04 2.71 1.51 0.84 -0.39 117.35 118.83 1cur s TYR 135 Ca 0.30 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1cur s TYR 135 Cb 0.04 -0.17 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1cur s TYR 135 CO 0.17 -0.29 -0.16 1.52 -1.11 0.00 0.00 175.55 175.68 1cur s TYR 136 N -2.12 2.66 0.12 2.71 1.13 -0.06 -0.62 117.35 121.15 1cur s TYR 136 Ca -0.09 -0.19 -0.06 0.00 -1.41 0.00 0.00 57.07 55.32 1cur s TYR 136 Cb -0.04 -1.60 -0.02 0.00 -1.10 0.00 0.00 41.96 39.20 1cur s TYR 136 CO -0.03 0.18 0.15 0.14 -2.51 0.00 0.00 175.55 173.48 1cur s VAL 137 N -0.75 0.12 -0.11 -3.49 -7.23 -0.27 -2.41 120.40 106.27 1cur s VAL 137 Ca 0.12 -1.52 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1cur s VAL 137 Cb -0.11 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1cur s VAL 137 CO 0.01 -0.55 -0.01 0.00 -0.31 0.00 0.00 175.10 174.23 1cur h GLN 139 N 5.77 0.00 -6.62 0.00 4.20 -1.92 -3.29 115.11 113.24 1cur h GLN 139 Ca -0.43 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.75 1cur h GLN 139 Cb 1.19 0.00 0.05 0.00 0.30 0.00 0.00 27.48 29.01 1cur h GLN 139 CO 0.58 0.00 0.92 0.42 -0.67 0.00 0.00 178.83 180.08 1cur s ILE 140 N -3.21 2.43 0.09 2.54 1.01 -1.26 -4.65 121.20 118.15 1cur s ILE 140 Ca 0.07 0.31 -0.35 0.00 0.00 0.00 0.00 60.65 60.67 1cur s ILE 140 Cb 0.07 -3.20 -0.18 0.00 0.01 0.00 0.00 42.46 39.16 1cur s ILE 140 CO 0.68 0.02 0.96 -2.65 0.00 0.00 0.00 174.94 173.95 1cur n PRO 141 N 3.96 0.30 0.00 2.79 -0.02 -1.26 -0.50 135.00 140.27 1cur n PRO 141 Ca 0.14 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1cur n PRO 141 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.79 2.58 3.79 -1.23 0.00 0.41 -5.02 105.19 107.51 1cur n GLY 142 Ca 0.18 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1cur n GLY 142 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cur s HIS 143 N -1.26 2.04 0.00 1.61 3.76 0.35 -1.26 115.29 120.53 1cur s HIS 143 Ca 0.00 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 1cur s HIS 143 Cb 0.00 -3.55 0.00 0.00 1.11 0.00 0.00 32.58 30.14 1cur s HIS 143 CO 0.00 -2.62 0.00 0.00 -0.85 0.00 0.00 174.74 171.27 1cur n ALA 144 N -3.89 0.00 0.15 -1.40 0.00 -1.24 -4.25 120.51 109.88 1cur n ALA 144 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1cur n ALA 144 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 1cur n ALA 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cur h ALA 145 N 0.00 -0.31 -0.44 0.00 0.00 -1.72 -3.34 119.26 113.46 1cur h ALA 145 Ca 0.00 -0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.18 1cur h ALA 145 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1cur h ALA 145 CO 0.00 -0.67 2.48 0.25 0.00 0.00 0.00 179.25 181.31 1cur n THR 146 N -5.22 3.45 0.00 0.00 -2.24 -0.39 -4.73 114.28 105.15 1cur n THR 146 Ca -0.09 -3.34 0.00 0.00 -2.27 0.00 0.00 64.05 58.35 1cur n THR 146 Cb 0.15 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 65.95 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 4.87 0.67 3.56 3.38 0.00 -1.25 -4.74 105.19 111.69 1cur n GLY 147 Ca 0.50 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 1cur n GLY 147 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cur s MET 148 N 0.00 3.44 0.38 1.61 0.00 -1.24 -4.82 119.30 118.67 1cur s MET 148 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 55.69 54.39 1cur s MET 148 Cb 0.00 -5.34 0.06 0.00 0.00 0.00 0.00 34.83 29.55 1cur s MET 148 CO 0.00 -2.49 0.82 1.97 0.00 0.00 0.00 175.02 175.31 1cur n PHE 149 N 9.89 -2.28 0.00 3.16 -1.74 -1.26 -3.74 117.46 121.49 1cur n PHE 149 Ca 0.38 -1.81 0.00 0.00 -0.56 0.00 0.00 57.45 55.46 1cur n PHE 149 Cb 0.49 0.90 0.00 0.00 1.52 0.00 0.00 39.48 42.39 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 -0.55 0.44 3.74 4.97 0.00 -1.01 -4.51 105.19 108.27 1cur n GLY 150 Ca -0.08 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 3.28 -0.39 1.61 3.01 -1.26 -0.88 119.74 123.11 1cur s LYS 151 Ca 0.00 -0.31 -0.01 0.00 -1.01 0.00 0.00 55.97 54.64 1cur s LYS 151 Cb 0.00 -2.98 0.11 0.00 -1.01 0.00 0.00 37.83 33.94 1cur s LYS 151 CO 0.00 0.67 0.16 0.42 0.51 0.00 0.00 175.35 177.11 1cur s ILE 152 N -0.75 3.04 0.09 2.17 1.01 0.47 -0.33 121.20 126.91 1cur s ILE 152 Ca 0.12 -2.09 -0.25 0.00 0.00 0.00 0.00 60.65 58.42 1cur s ILE 152 Cb -0.12 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 1cur s ILE 152 CO 0.03 -0.65 0.78 -0.69 0.00 0.00 0.00 174.94 174.41 1cur s VAL 153 N 1.09 4.59 -0.20 2.92 1.01 0.43 -0.28 120.40 129.96 1cur s VAL 153 Ca 0.08 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.76 1cur s VAL 153 Cb -0.22 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.06 1cur s VAL 153 CO -0.05 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 174.65 1cur s VAL 154 N -0.41 1.77 0.00 2.92 1.01 0.11 -0.58 120.40 125.22 1cur s VAL 154 Ca 0.38 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1cur s VAL 154 Cb -0.22 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1cur s VAL 154 CO 0.25 0.24 0.00 0.29 0.00 0.00 0.00 175.10 175.88