#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 n LEU 2 N 0.00 6.45 -0.07 -0.89 0.00 -1.26 -4.91 117.00 116.31 1hr0 n LEU 2 Ca 0.00 -4.86 0.00 0.00 0.00 0.00 0.00 56.01 51.15 1hr0 n LEU 2 Cb 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 43.42 42.03 1hr0 n LEU 2 CO 0.00 1.46 0.12 1.07 0.00 0.00 0.00 177.39 180.04 1hr0 n THR 3 N 2.62 -0.09 -3.55 1.96 5.66 -1.26 -3.86 114.28 115.76 1hr0 n THR 3 Ca 0.34 0.45 -0.29 0.00 -3.05 0.00 0.00 64.05 61.50 1hr0 n THR 3 Cb 0.36 -0.61 -0.15 0.00 -1.55 0.00 0.00 70.33 68.37 1hr0 n THR 3 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1hr0 s ASP 4 N -5.06 3.56 0.17 1.09 2.15 -1.26 -4.97 116.67 112.34 1hr0 s ASP 4 Ca -0.03 -1.30 -0.15 0.00 0.43 0.00 0.00 52.55 51.49 1hr0 s ASP 4 Cb 0.05 -0.37 0.11 0.00 -0.30 0.00 0.00 42.92 42.40 1hr0 s ASP 4 CO 0.15 -0.44 1.71 -0.65 -0.17 0.00 0.00 175.17 175.77 1hr0 h PRO 5 N 8.39 0.16 -0.58 4.34 0.11 -1.99 0.15 132.00 142.58 1hr0 h PRO 5 Ca -0.20 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1hr0 h PRO 5 Cb 1.01 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1hr0 h PRO 5 CO 0.44 0.10 0.26 0.82 -0.21 0.00 0.00 178.00 179.42 1hr0 h ILE 6 N 0.16 1.20 -0.05 4.15 1.08 -1.96 -0.48 117.51 121.61 1hr0 h ILE 6 Ca 0.19 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1hr0 h ILE 6 Cb 0.25 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1hr0 h ILE 6 CO -0.28 0.24 -0.11 0.00 -0.69 0.00 0.00 178.15 177.30 1hr0 h ALA 7 N 1.47 0.07 -1.16 1.87 0.00 -1.86 -2.24 119.26 117.41 1hr0 h ALA 7 Ca 0.20 -0.34 0.33 0.00 0.00 0.00 0.00 54.91 55.10 1hr0 h ALA 7 Cb 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1hr0 h ALA 7 CO -0.02 -0.04 0.78 0.22 0.00 0.00 0.00 179.25 180.18 1hr0 h ASP 8 N -0.37 0.26 0.07 0.00 3.58 -0.05 0.16 116.42 120.07 1hr0 h ASP 8 Ca -0.00 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1hr0 h ASP 8 Cb 0.71 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1hr0 h ASP 8 CO 0.02 0.01 -0.03 -0.03 -2.88 0.00 0.00 179.24 176.33 1hr0 h MET 9 N 0.21 -0.09 -1.01 0.28 4.05 -0.99 -2.14 114.93 115.25 1hr0 h MET 9 Ca 0.63 0.01 0.21 0.00 -0.28 0.00 0.00 59.70 60.27 1hr0 h MET 9 Cb 1.98 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 32.68 1hr0 h MET 9 CO -0.22 0.29 0.61 -0.07 0.23 0.00 0.00 176.91 177.74 1hr0 h LEU 10 N -0.98 0.75 -0.05 3.39 3.38 -0.65 0.51 115.31 121.66 1hr0 h LEU 10 Ca -0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1hr0 h LEU 10 Cb 0.42 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1hr0 h LEU 10 CO 0.02 0.22 0.00 0.74 0.09 0.00 0.00 178.44 179.50 1hr0 h THR 11 N 0.70 1.23 -0.38 0.22 2.02 -0.79 0.55 112.91 116.46 1hr0 h THR 11 Ca 0.60 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 67.15 1hr0 h THR 11 Cb 1.02 1.62 -0.08 0.00 -1.74 0.00 0.00 68.15 68.98 1hr0 h THR 11 CO -0.41 0.19 -0.13 0.03 0.37 0.00 0.00 175.52 175.57 1hr0 h ARG 12 N -0.19 -0.04 0.01 6.66 3.08 -0.39 0.97 114.38 124.47 1hr0 h ARG 12 Ca 0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1hr0 h ARG 12 Cb 0.31 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1hr0 h ARG 12 CO 0.00 -0.03 -0.15 0.82 -1.07 0.00 0.00 179.97 179.54 1hr0 h ILE 13 N -0.05 0.64 -0.37 2.04 2.04 -0.73 0.35 117.51 121.43 1hr0 h ILE 13 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1hr0 h ILE 13 Cb 0.33 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1hr0 h ILE 13 CO -0.41 0.00 0.04 -0.09 0.00 0.00 0.00 178.15 177.68 1hr0 h ARG 14 N -0.25 0.14 0.05 2.37 2.43 0.16 -0.11 114.38 119.17 1hr0 h ARG 14 Ca 0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1hr0 h ARG 14 Cb 0.31 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1hr0 h ARG 14 CO -0.14 0.09 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.48 1hr0 h ASN 15 N 0.15 -0.05 0.40 -3.80 2.35 0.15 -1.77 115.58 113.01 1hr0 h ASN 15 Ca 0.18 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1hr0 h ASN 15 Cb 0.23 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1hr0 h ASN 15 CO -0.27 0.04 -0.27 0.00 -1.65 0.00 0.00 177.43 175.28 1hr0 h ALA 16 N 0.81 -0.66 -0.82 -0.83 0.00 -0.05 -2.48 119.26 115.23 1hr0 h ALA 16 Ca -0.01 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1hr0 h ALA 16 Cb 0.12 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1hr0 h ALA 16 CO 0.01 -0.89 0.54 1.79 0.00 0.00 0.00 179.25 180.70 1hr0 h THR 17 N -0.66 0.82 0.00 0.00 1.35 -1.02 0.17 112.91 113.57 1hr0 h THR 17 Ca -0.04 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1hr0 h THR 17 Cb 0.56 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1hr0 h THR 17 CO 0.02 0.10 -0.08 0.03 -0.25 0.00 0.00 175.52 175.34 1hr0 h ARG 18 N 0.56 0.00 -0.30 4.72 -0.00 -0.84 -1.04 114.38 117.48 1hr0 h ARG 18 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.88 1hr0 h ARG 18 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.74 1hr0 h ARG 18 CO -0.16 0.08 0.00 1.33 0.00 0.00 0.00 179.97 181.22 1hr0 n VAL 19 N -3.88 1.78 -2.23 2.04 0.24 -0.08 -4.99 118.33 111.21 1hr0 n VAL 19 Ca -0.02 -1.52 -0.18 0.00 -2.04 0.00 0.00 64.34 60.58 1hr0 n VAL 19 Cb 0.18 0.05 -0.02 0.00 -1.47 0.00 0.00 33.84 32.58 1hr0 n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1hr0 n TYR 20 N -0.08 -0.73 -0.98 6.34 4.01 -0.39 -4.98 117.16 120.35 1hr0 n TYR 20 Ca 0.17 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.58 1hr0 n TYR 20 Cb 0.71 -3.45 0.11 0.00 -0.31 0.00 0.00 39.34 36.40 1hr0 n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1hr0 n LYS 21 N -2.67 -0.04 -0.07 -0.72 4.76 -0.87 -4.93 118.16 113.62 1hr0 n LYS 21 Ca -0.21 0.04 -0.07 0.00 -2.87 0.00 0.00 58.31 55.21 1hr0 n LYS 21 Cb 0.65 -1.99 -0.04 0.00 -1.84 0.00 0.00 35.03 31.81 1hr0 n LYS 21 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1hr0 h GLU 22 N -1.12 0.00 0.00 1.97 4.81 -1.92 -3.44 114.58 114.88 1hr0 h GLU 22 Ca -0.44 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 1hr0 h GLU 22 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1hr0 h GLU 22 CO 0.39 0.31 -0.09 0.45 -0.73 0.00 0.00 179.01 179.34 1hr0 n SER 23 N -4.65 1.61 -3.65 1.04 2.88 -1.26 -0.49 113.62 109.10 1hr0 n SER 23 Ca -0.08 -1.64 0.01 0.00 -1.33 0.00 0.00 58.87 55.83 1hr0 n SER 23 Cb 0.26 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 1hr0 n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hr0 s THR 24 N -0.93 0.00 0.26 2.46 -1.32 -1.22 -4.81 115.64 110.07 1hr0 s THR 24 Ca 0.10 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.52 1hr0 s THR 24 Cb -0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 1hr0 s THR 24 CO 0.06 0.00 0.54 -1.81 -2.21 0.00 0.00 174.62 171.20 1hr0 s ASP 25 N 0.78 6.51 -0.20 8.08 1.11 -1.26 -0.57 116.67 131.12 1hr0 s ASP 25 Ca -0.04 0.77 -0.13 0.00 0.18 0.00 0.00 52.55 53.33 1hr0 s ASP 25 Cb -0.03 -2.17 0.06 0.00 1.07 0.00 0.00 42.92 41.86 1hr0 s ASP 25 CO -0.11 -0.13 0.50 0.68 1.18 0.00 0.00 175.17 177.29 1hr0 s VAL 26 N -1.96 -0.01 -0.11 -1.27 -7.23 -1.17 -4.94 120.40 103.72 1hr0 s VAL 26 Ca 0.45 0.05 -0.37 0.00 -1.81 0.00 0.00 61.98 60.30 1hr0 s VAL 26 Cb -0.11 -0.73 -0.14 0.00 0.56 0.00 0.00 36.38 35.96 1hr0 s VAL 26 CO 0.27 0.02 1.73 -2.65 -0.31 0.00 0.00 175.10 174.16 1hr0 n PRO 27 N 3.95 1.67 -2.43 4.82 -0.02 -1.26 -0.87 135.00 140.86 1hr0 n PRO 27 Ca -0.20 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 1hr0 n PRO 27 Cb 0.56 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1hr0 n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hr0 s ALA 28 N 3.06 2.82 -0.21 3.55 0.00 -0.91 -4.84 121.76 125.24 1hr0 s ALA 28 Ca 0.92 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 53.23 1hr0 s ALA 28 Cb -0.86 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.06 1hr0 s ALA 28 CO 0.55 -0.45 0.72 -1.54 0.00 0.00 0.00 175.76 175.04 1hr0 s SER 29 N -2.04 -0.71 0.13 0.00 1.04 -1.26 -4.95 113.70 105.92 1hr0 s SER 29 Ca 0.68 1.20 -0.32 0.00 0.48 0.00 0.00 55.95 57.99 1hr0 s SER 29 Cb -0.18 1.16 -0.09 0.00 0.10 0.00 0.00 66.02 67.01 1hr0 s SER 29 CO 0.23 -0.35 1.55 0.03 0.98 0.00 0.00 173.24 175.68 1hr0 h ARG 30 N 4.35 -0.42 -0.88 4.02 2.47 -1.99 0.06 114.38 121.99 1hr0 h ARG 30 Ca -0.28 0.03 0.21 0.00 -1.26 0.00 0.00 59.98 58.68 1hr0 h ARG 30 Cb 1.15 0.10 -0.12 0.00 -1.65 0.00 0.00 29.97 29.45 1hr0 h ARG 30 CO 0.15 -0.28 0.38 0.35 0.56 0.00 0.00 179.97 181.13 1hr0 h PHE 31 N -0.44 0.63 -0.17 3.04 3.57 -1.99 0.11 116.94 121.69 1hr0 h PHE 31 Ca 0.07 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1hr0 h PHE 31 Cb 0.62 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1hr0 h PHE 31 CO -0.67 -0.03 0.02 -0.22 -2.23 0.00 0.00 178.31 175.18 1hr0 h LYS 32 N 0.41 0.29 -0.58 1.11 3.64 -1.61 -2.48 116.57 117.34 1hr0 h LYS 32 Ca 0.54 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.90 1hr0 h LYS 32 Cb 1.00 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 1hr0 h LYS 32 CO -0.51 0.48 0.28 1.49 -2.27 0.00 0.00 179.45 178.92 1hr0 h GLU 33 N 0.06 0.51 -0.55 1.90 4.81 0.80 -1.65 114.58 120.46 1hr0 h GLU 33 Ca 0.05 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1hr0 h GLU 33 Cb 0.33 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1hr0 h GLU 33 CO 0.01 0.34 0.15 0.93 -0.73 0.00 0.00 179.01 179.70 1hr0 h GLU 34 N 0.52 0.29 0.14 1.92 4.39 -0.67 -0.65 114.58 120.52 1hr0 h GLU 34 Ca 0.27 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1hr0 h GLU 34 Cb 0.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1hr0 h GLU 34 CO -0.21 0.19 -0.07 0.82 -1.16 0.00 0.00 179.01 178.59 1hr0 h ILE 35 N 0.30 0.91 -1.00 3.13 2.04 -0.87 -2.18 117.51 119.83 1hr0 h ILE 35 Ca 0.28 -0.18 0.22 0.00 1.00 0.00 0.00 64.86 66.19 1hr0 h ILE 35 Cb 0.38 1.02 -0.11 0.00 -0.74 0.00 0.00 36.82 37.37 1hr0 h ILE 35 CO -0.33 0.04 0.61 -0.07 0.00 0.00 0.00 178.15 178.40 1hr0 h LEU 36 N -0.26 0.69 -0.54 1.44 3.38 -0.61 0.22 115.31 119.62 1hr0 h LEU 36 Ca -0.02 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1hr0 h LEU 36 Cb 0.21 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 1hr0 h LEU 36 CO 0.03 0.19 -0.15 -0.09 0.09 0.00 0.00 178.44 178.51 1hr0 h ARG 37 N 0.64 -0.01 -0.32 1.13 2.43 -0.47 0.84 114.38 118.61 1hr0 h ARG 37 Ca 0.60 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.73 1hr0 h ARG 37 Cb 1.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1hr0 h ARG 37 CO -0.39 -0.01 0.06 0.82 -1.51 0.00 0.00 179.97 178.94 1hr0 h ILE 38 N -0.01 1.23 -0.63 1.20 5.03 -0.55 0.26 117.51 124.04 1hr0 h ILE 38 Ca 0.26 -0.80 0.13 0.00 -0.12 0.00 0.00 64.86 64.33 1hr0 h ILE 38 Cb 0.41 1.14 -0.11 0.00 -3.03 0.00 0.00 36.82 35.24 1hr0 h ILE 38 CO -0.57 0.26 0.00 -0.07 -0.68 0.00 0.00 178.15 177.10 1hr0 h LEU 39 N 0.35 -0.28 0.14 1.44 -0.00 0.90 0.38 115.31 118.25 1hr0 h LEU 39 Ca 0.10 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 1hr0 h LEU 39 Cb 0.34 0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1hr0 h LEU 39 CO 0.01 -0.12 -0.07 0.00 -0.00 0.00 0.00 178.44 178.26 1hr0 h ALA 40 N 1.57 -0.19 -0.05 1.53 0.00 0.84 -0.02 119.26 122.95 1hr0 h ALA 40 Ca 0.33 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1hr0 h ALA 40 Cb 0.54 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1hr0 h ALA 40 CO -0.54 -0.47 -0.41 -0.09 0.00 0.00 0.00 179.25 177.75 1hr0 h ARG 41 N -0.47 -0.52 0.00 0.00 2.43 0.19 0.31 114.38 116.33 1hr0 h ARG 41 Ca -0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1hr0 h ARG 41 Cb 0.37 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1hr0 h ARG 41 CO 0.03 -0.34 0.00 0.39 -1.51 0.00 0.00 179.97 178.54 1hr0 n GLU 42 N -5.44 0.15 -2.73 0.20 -0.58 0.12 -4.82 120.64 107.54 1hr0 n GLU 42 Ca -0.05 0.10 -0.08 0.00 -0.42 0.00 0.00 57.16 56.71 1hr0 n GLU 42 Cb 0.36 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.75 1hr0 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hr0 n GLY 43 N -0.69 0.34 0.04 0.62 0.00 0.11 -4.94 105.19 100.67 1hr0 n GLY 43 Ca 0.04 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1hr0 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hr0 n PHE 44 N -3.54 0.32 -4.10 1.61 3.72 -0.04 -4.93 117.46 110.49 1hr0 n PHE 44 Ca -0.02 0.09 -0.11 0.00 -0.05 0.00 0.00 57.45 57.37 1hr0 n PHE 44 Cb 0.53 -0.62 -0.11 0.00 -0.94 0.00 0.00 39.48 38.35 1hr0 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1hr0 s ILE 45 N -3.43 0.49 0.40 4.37 -4.36 -1.21 -4.43 121.20 113.03 1hr0 s ILE 45 Ca -0.04 -1.50 0.07 0.00 -0.26 0.00 0.00 60.65 58.92 1hr0 s ILE 45 Cb 0.13 -1.12 0.24 0.00 1.25 0.00 0.00 42.46 42.96 1hr0 s ILE 45 CO 0.86 -0.68 2.02 0.11 0.24 0.00 0.00 174.94 177.49 1hr0 h LYS 46 N 3.72 0.49 0.00 0.37 1.57 -0.53 -3.42 116.57 118.77 1hr0 h LYS 46 Ca -0.35 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1hr0 h LYS 46 Cb 1.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1hr0 h LYS 46 CO 0.54 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 180.21 1hr0 n GLY 47 N -1.31 0.70 3.46 3.86 0.00 -1.17 -4.99 105.19 105.74 1hr0 n GLY 47 Ca 0.02 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1hr0 n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hr0 s TYR 48 N -2.15 0.16 -0.01 1.61 -0.85 -1.26 0.09 117.35 114.94 1hr0 s TYR 48 Ca 0.00 -0.52 -0.13 0.00 -0.52 0.00 0.00 57.07 55.90 1hr0 s TYR 48 Cb 0.00 0.19 0.02 0.00 0.38 0.00 0.00 41.96 42.54 1hr0 s TYR 48 CO 0.00 -0.86 0.27 -1.83 -1.52 0.00 0.00 175.55 171.62 1hr0 s GLU 49 N -3.93 0.62 -0.14 -3.49 -1.05 -1.00 -4.98 118.70 104.72 1hr0 s GLU 49 Ca 0.14 -0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.45 1hr0 s GLU 49 Cb 0.01 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 1hr0 s GLU 49 CO 0.00 -0.16 1.24 1.03 0.95 0.00 0.00 175.26 178.32 1hr0 s ARG 50 N -1.30 4.26 0.41 -4.83 0.52 -1.26 -1.74 118.95 115.01 1hr0 s ARG 50 Ca -0.13 1.66 0.04 0.00 -0.52 0.00 0.00 55.73 56.77 1hr0 s ARG 50 Cb -0.06 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 1hr0 s ARG 50 CO 0.04 -0.65 0.04 0.14 0.02 0.00 0.00 175.30 174.88 1hr0 s VAL 51 N 3.23 1.38 -0.28 3.52 -7.23 -0.99 -4.97 120.40 115.05 1hr0 s VAL 51 Ca 0.55 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1hr0 s VAL 51 Cb -0.22 -2.64 0.08 0.00 0.56 0.00 0.00 36.38 34.15 1hr0 s VAL 51 CO 0.16 0.00 0.00 -1.81 -0.31 0.00 0.00 175.10 173.14 1hr0 s ASP 52 N -3.68 4.20 -0.23 4.85 1.11 -1.26 -0.99 116.67 120.67 1hr0 s ASP 52 Ca 0.26 -1.57 -0.14 0.00 0.18 0.00 0.00 52.55 51.28 1hr0 s ASP 52 Cb 0.07 -1.27 -0.04 0.00 1.07 0.00 0.00 42.92 42.74 1hr0 s ASP 52 CO 0.13 -0.31 0.32 -0.69 1.18 0.00 0.00 175.17 175.80 1hr0 s VAL 53 N 1.28 5.24 -0.88 -1.27 1.01 0.38 -4.34 120.40 121.81 1hr0 s VAL 53 Ca 0.02 0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1hr0 s VAL 53 Cb -0.19 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1hr0 s VAL 53 CO -0.11 0.26 0.23 -0.67 0.00 0.00 0.00 175.10 174.82 1hr0 n ASP 54 N 4.61 -2.58 0.00 3.32 2.03 -1.26 -0.39 116.55 122.27 1hr0 n ASP 54 Ca -0.10 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1hr0 n ASP 54 Cb 0.51 -2.23 0.00 0.00 -0.72 0.00 0.00 41.12 38.69 1hr0 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hr0 n GLY 55 N -0.85 3.21 3.80 0.27 0.00 -1.26 -5.04 105.19 105.31 1hr0 n GLY 55 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1hr0 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hr0 s LYS 56 N -0.73 3.08 0.04 1.61 3.01 0.48 -5.03 119.74 122.20 1hr0 s LYS 56 Ca 0.00 -0.51 -0.31 0.00 -1.01 0.00 0.00 55.97 54.15 1hr0 s LYS 56 Cb 0.00 -2.86 -0.06 0.00 -1.01 0.00 0.00 37.83 33.89 1hr0 s LYS 56 CO 0.00 0.63 1.39 -1.25 0.51 0.00 0.00 175.35 176.63 1hr0 s PRO 57 N -1.92 4.30 0.08 -1.68 0.04 -1.26 -0.47 135.00 134.09 1hr0 s PRO 57 Ca 0.25 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.30 1hr0 s PRO 57 Cb -0.12 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 1hr0 s PRO 57 CO 0.17 -0.51 0.02 0.66 0.04 0.00 0.00 177.00 177.38 1hr0 n TYR 58 N 4.80 0.05 -3.59 0.56 4.02 -0.16 -2.13 117.16 120.71 1hr0 n TYR 58 Ca 0.12 -0.51 -0.26 0.00 -0.01 0.00 0.00 57.90 57.25 1hr0 n TYR 58 Cb 0.43 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.58 1hr0 n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1hr0 s LEU 59 N 0.00 0.35 0.27 7.72 1.43 -0.05 -2.34 118.68 126.06 1hr0 s LEU 59 Ca 0.04 -0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 1hr0 s LEU 59 Cb 0.00 -0.23 -0.10 0.00 0.03 0.00 0.00 46.19 45.90 1hr0 s LEU 59 CO 0.02 -0.36 1.31 -0.13 0.23 0.00 0.00 176.35 177.42 1hr0 s ARG 60 N 2.14 4.38 -0.44 1.70 1.81 -0.71 -3.03 118.95 124.80 1hr0 s ARG 60 Ca 0.03 2.14 0.04 0.00 -1.72 0.00 0.00 55.73 56.22 1hr0 s ARG 60 Cb -0.16 -3.13 0.12 0.00 -0.45 0.00 0.00 34.95 31.33 1hr0 s ARG 60 CO -0.14 -0.21 0.17 0.08 -0.68 0.00 0.00 175.30 174.52 1hr0 s VAL 61 N -0.50 2.30 -0.33 3.52 1.01 0.27 -2.37 120.40 124.29 1hr0 s VAL 61 Ca 0.53 -2.82 -0.28 0.00 0.00 0.00 0.00 61.98 59.41 1hr0 s VAL 61 Cb -0.38 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1hr0 s VAL 61 CO 0.45 -0.73 2.05 -0.31 0.00 0.00 0.00 175.10 176.56 1hr0 s TYR 62 N 0.28 1.45 0.80 5.22 2.02 0.11 -3.45 117.35 123.78 1hr0 s TYR 62 Ca 0.15 0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 57.46 1hr0 s TYR 62 Cb -0.23 -3.98 0.07 0.00 -0.40 0.00 0.00 41.96 37.43 1hr0 s TYR 62 CO -0.04 -3.28 1.09 -0.51 -1.57 0.00 0.00 175.55 171.24 1hr0 s LEU 63 N 8.32 2.72 0.03 -1.29 2.01 0.36 0.11 118.68 130.95 1hr0 s LEU 63 Ca 0.89 1.55 0.02 0.00 0.01 0.00 0.00 54.13 56.61 1hr0 s LEU 63 Cb -0.25 -4.18 -0.02 0.00 0.01 0.00 0.00 46.19 41.75 1hr0 s LEU 63 CO 0.32 -2.08 -0.08 -0.75 1.01 0.00 0.00 176.35 174.77 1hr0 s LYS 64 N -5.01 0.56 0.12 1.70 2.20 -1.26 -4.37 119.74 113.69 1hr0 s LYS 64 Ca 0.61 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1hr0 s LYS 64 Cb -0.16 -0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 35.70 1hr0 s LYS 64 CO 0.56 0.10 0.12 0.71 -0.36 0.00 0.00 175.35 176.47 1hr0 s TYR 65 N -0.94 0.61 0.30 4.03 1.51 -1.26 -4.23 117.35 117.37 1hr0 s TYR 65 Ca -0.05 -1.02 -0.05 0.00 -1.01 0.00 0.00 57.07 54.94 1hr0 s TYR 65 Cb -0.07 -0.31 0.07 0.00 -0.11 0.00 0.00 41.96 41.54 1hr0 s TYR 65 CO 0.00 -0.55 0.29 0.41 -1.11 0.00 0.00 175.55 174.59 1hr0 n GLY 66 N -0.09 -2.29 3.96 0.71 0.00 0.17 -4.93 105.19 102.73 1hr0 n GLY 66 Ca -0.08 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1hr0 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hr0 s PRO 67 N -3.66 1.95 0.64 1.61 0.04 -1.26 -4.55 135.00 129.78 1hr0 s PRO 67 Ca 0.18 -0.72 -0.18 0.00 0.04 0.00 0.00 61.00 60.33 1hr0 s PRO 67 Cb -0.02 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1hr0 s PRO 67 CO 0.14 -1.29 1.07 -2.13 0.04 0.00 0.00 177.00 174.82 1hr0 n ARG 68 N -2.82 0.89 -3.35 4.56 0.63 -1.26 -3.90 116.66 111.42 1hr0 n ARG 68 Ca 0.11 0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 57.19 1hr0 n ARG 68 Cb 0.60 -2.29 0.01 0.00 0.45 0.00 0.00 32.46 31.23 1hr0 n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1hr0 n ARG 69 N -1.44 0.81 -3.86 -0.14 1.74 -0.49 -4.91 116.66 108.35 1hr0 n ARG 69 Ca 0.15 -2.81 -0.21 0.00 -0.77 0.00 0.00 57.85 54.20 1hr0 n ARG 69 Cb 0.48 0.26 -0.03 0.00 -1.02 0.00 0.00 32.46 32.15 1hr0 n ARG 69 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1hr0 s GLN 70 N -3.89 3.04 6.16 5.56 -1.52 -1.26 -4.60 119.66 123.16 1hr0 s GLN 70 Ca 0.28 -1.03 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 1hr0 s GLN 70 Cb -0.02 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1hr0 s GLN 70 CO 0.18 0.26 0.00 0.41 -0.25 0.00 0.00 175.29 175.89 1hr0 n GLY 71 N -1.38 2.93 3.77 3.09 0.00 -1.26 -4.67 105.19 107.66 1hr0 n GLY 71 Ca -0.05 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1hr0 n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hr0 s PRO 72 N 0.00 4.55 -0.40 1.61 0.04 -1.26 -4.33 135.00 135.21 1hr0 s PRO 72 Ca 0.00 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1hr0 s PRO 72 Cb 0.00 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.56 1hr0 s PRO 72 CO 0.00 0.18 0.48 -3.47 0.04 0.00 0.00 177.00 174.23 1hr0 n ASP 73 N 0.86 -7.83 0.00 6.66 4.64 -1.26 -4.85 116.55 114.77 1hr0 n ASP 73 Ca 0.01 0.67 0.02 0.00 -1.38 0.00 0.00 54.79 54.10 1hr0 n ASP 73 Cb 0.47 -5.13 0.09 0.00 -1.04 0.00 0.00 41.12 35.51 1hr0 n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1hr0 n PRO 74 N -0.07 0.96 -1.71 -0.67 -0.04 -1.26 -4.74 135.00 127.46 1hr0 n PRO 74 Ca 0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1hr0 n PRO 74 Cb 0.38 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 1hr0 n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1hr0 n ARG 75 N -0.55 2.64 -1.03 0.54 1.74 -1.26 -1.40 116.66 117.33 1hr0 n ARG 75 Ca 0.02 0.95 -0.35 0.00 -0.77 0.00 0.00 57.85 57.71 1hr0 n ARG 75 Cb 0.01 -2.78 0.09 0.00 -1.02 0.00 0.00 32.46 28.75 1hr0 n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1hr0 n PRO 76 N 3.96 0.01 -2.62 5.56 -0.02 -1.26 -4.50 135.00 136.13 1hr0 n PRO 76 Ca 0.16 0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 1hr0 n PRO 76 Cb 0.34 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1hr0 n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1hr0 s GLU 77 N -3.03 4.06 0.60 -0.52 2.12 -1.25 -4.83 118.70 115.85 1hr0 s GLU 77 Ca 0.59 1.09 -0.13 0.00 0.36 0.00 0.00 54.97 56.89 1hr0 s GLU 77 Cb -0.28 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 1hr0 s GLU 77 CO 0.65 -0.18 1.02 -0.65 -0.54 0.00 0.00 175.26 175.56 1hr0 s GLN 78 N -3.52 3.59 -0.18 4.30 -1.52 -1.26 -0.65 119.66 120.41 1hr0 s GLN 78 Ca 0.62 0.86 0.12 0.00 -1.95 0.00 0.00 55.36 55.01 1hr0 s GLN 78 Cb -0.10 -2.08 -0.23 0.00 -0.22 0.00 0.00 33.01 30.38 1hr0 s GLN 78 CO 0.21 -0.57 0.12 0.28 -0.25 0.00 0.00 175.29 175.08 1hr0 n VAL 79 N -2.43 1.47 -3.42 1.09 0.31 -1.26 -4.53 118.33 109.56 1hr0 n VAL 79 Ca 0.07 -0.78 -0.39 0.00 -0.01 0.00 0.00 64.34 63.22 1hr0 n VAL 79 Cb 0.54 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 1hr0 n VAL 79 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1hr0 n ILE 80 N -2.94 3.86 0.29 2.52 5.41 -1.26 -4.86 119.36 122.37 1hr0 n ILE 80 Ca -0.33 -5.35 0.17 0.00 1.00 0.00 0.00 62.75 58.24 1hr0 n ILE 80 Cb 1.10 -2.37 0.84 0.00 -0.71 0.00 0.00 39.64 38.50 1hr0 n ILE 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1hr0 h HIS 81 N 5.95 0.00 -3.88 1.39 3.86 -1.55 -3.45 115.15 117.47 1hr0 h HIS 81 Ca 0.18 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1hr0 h HIS 81 Cb 0.78 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.13 1hr0 h HIS 81 CO 0.78 0.04 -0.30 -1.58 0.86 0.00 0.00 177.93 177.73 1hr0 s HIS 82 N -3.93 0.43 0.00 2.45 5.65 -1.01 -4.98 115.29 113.90 1hr0 s HIS 82 Ca -0.02 -0.78 0.00 0.00 0.25 0.00 0.00 55.06 54.51 1hr0 s HIS 82 Cb 0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 1hr0 s HIS 82 CO 0.52 -0.76 0.00 1.51 -0.65 0.00 0.00 174.74 175.36 1hr0 n ILE 83 N -0.25 0.00 -3.82 0.89 3.06 -1.26 -3.25 119.36 114.73 1hr0 n ILE 83 Ca -0.06 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.06 1hr0 n ILE 83 Cb 0.63 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.67 1hr0 n ILE 83 CO 0.00 0.00 0.00 -0.60 -2.50 0.00 0.00 176.55 173.45 1hr0 s ARG 84 N 0.00 0.01 0.70 9.51 3.52 -0.99 -4.97 118.95 126.74 1hr0 s ARG 84 Ca 0.00 0.11 -0.15 0.00 -0.13 0.00 0.00 55.73 55.57 1hr0 s ARG 84 Cb 0.00 -0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 1hr0 s ARG 84 CO 0.00 -0.07 1.14 1.03 -0.81 0.00 0.00 175.30 176.60 1hr0 s ARG 85 N 0.43 2.46 0.17 5.12 1.81 -1.26 -2.63 118.95 125.05 1hr0 s ARG 85 Ca -0.03 1.52 0.00 0.00 -1.72 0.00 0.00 55.73 55.49 1hr0 s ARG 85 Cb -0.05 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.55 1hr0 s ARG 85 CO -0.01 -1.54 0.00 -0.89 -0.68 0.00 0.00 175.30 172.18 1hr0 n ILE 86 N -2.66 0.42 -2.43 1.52 5.41 -0.79 -4.87 119.36 115.96 1hr0 n ILE 86 Ca 0.11 0.14 -0.41 0.00 1.00 0.00 0.00 62.75 63.59 1hr0 n ILE 86 Cb 0.51 -0.86 -0.04 0.00 -0.71 0.00 0.00 39.64 38.55 1hr0 n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1hr0 s SER 87 N -5.22 7.15 0.01 4.38 0.15 -1.13 -4.74 113.70 114.31 1hr0 s SER 87 Ca 0.00 2.14 -0.01 0.00 0.70 0.00 0.00 55.95 58.78 1hr0 s SER 87 Cb 0.00 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1hr0 s SER 87 CO 0.00 -0.33 0.00 -0.54 1.20 0.00 0.00 173.24 173.57 1hr0 s LYS 88 N -0.07 0.28 1.01 5.44 1.02 -0.75 -4.91 119.74 121.77 1hr0 s LYS 88 Ca 0.52 -0.47 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 1hr0 s LYS 88 Cb -0.31 0.11 0.11 0.00 -0.52 0.00 0.00 37.83 37.21 1hr0 s LYS 88 CO 0.35 -0.05 0.52 -0.35 -0.92 0.00 0.00 175.35 174.90 1hr0 n PRO 89 N 1.83 -0.91 -3.39 -1.68 -0.04 -1.26 -1.35 135.00 128.20 1hr0 n PRO 89 Ca -0.22 -0.23 -0.24 0.00 -0.04 0.00 0.00 63.50 62.78 1hr0 n PRO 89 Cb 0.56 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1hr0 n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hr0 n GLY 90 N 1.34 -0.49 0.00 0.55 0.00 -1.26 -4.64 105.19 100.69 1hr0 n GLY 90 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1hr0 n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hr0 n ARG 91 N -3.80 0.00 -2.45 1.61 0.00 -0.46 -5.16 116.66 106.40 1hr0 n ARG 91 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.45 1hr0 n ARG 91 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.97 1hr0 n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1hr0 s ARG 92 N 0.00 4.30 -0.28 -0.14 1.81 -1.00 -1.81 118.95 121.83 1hr0 s ARG 92 Ca 0.00 1.70 0.02 0.00 -1.72 0.00 0.00 55.73 55.73 1hr0 s ARG 92 Cb 0.00 -2.80 0.08 0.00 -0.45 0.00 0.00 34.95 31.78 1hr0 s ARG 92 CO 0.00 -0.07 -0.02 0.08 -0.68 0.00 0.00 175.30 174.61 1hr0 s VAL 93 N -1.42 1.79 -0.04 3.52 1.01 -1.26 -4.90 120.40 119.10 1hr0 s VAL 93 Ca 0.53 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1hr0 s VAL 93 Cb -0.28 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1hr0 s VAL 93 CO 0.35 -0.29 -0.00 -0.31 0.00 0.00 0.00 175.10 174.85 1hr0 s TYR 94 N 1.22 3.10 0.06 5.22 1.51 -1.26 0.05 117.35 127.26 1hr0 s TYR 94 Ca -0.00 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.24 1hr0 s TYR 94 Cb -0.19 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1hr0 s TYR 94 CO -0.09 0.46 -0.16 0.14 -1.11 0.00 0.00 175.55 174.79 1hr0 s VAL 95 N -0.98 1.30 0.51 0.71 -7.23 -0.30 -4.93 120.40 109.47 1hr0 s VAL 95 Ca 0.16 -1.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.99 1hr0 s VAL 95 Cb -0.11 -1.18 -0.07 0.00 0.56 0.00 0.00 36.38 35.58 1hr0 s VAL 95 CO 0.06 -0.04 0.94 -0.83 -0.31 0.00 0.00 175.10 174.93 1hr0 s GLY 96 N -1.44 1.93 0.65 2.32 0.00 -1.26 -1.96 107.32 107.55 1hr0 s GLY 96 Ca 0.02 0.01 0.34 0.00 0.00 0.00 0.00 44.72 45.09 1hr0 s GLY 96 CO 0.02 0.27 2.07 -0.24 0.00 0.00 0.00 173.10 175.22 1hr0 h VAL 97 N 0.66 0.09 0.00 1.40 3.04 -1.92 0.70 116.25 120.21 1hr0 h VAL 97 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1hr0 h VAL 97 Cb 1.19 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1hr0 h VAL 97 CO 0.62 0.00 -0.54 0.11 -1.01 0.00 0.00 177.57 176.75 1hr0 h LYS 98 N 0.00 0.00 -0.55 4.17 1.57 -1.92 -3.31 116.57 116.53 1hr0 h LYS 98 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1hr0 h LYS 98 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1hr0 h LYS 98 CO -0.00 0.00 0.06 0.39 -0.57 0.00 0.00 179.45 179.33 1hr0 n GLU 99 N -2.43 4.20 -2.86 3.15 1.02 0.24 -4.94 120.64 119.02 1hr0 n GLU 99 Ca 0.03 -3.10 -0.43 0.00 -0.02 0.00 0.00 57.16 53.65 1hr0 n GLU 99 Cb 0.48 -2.17 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 1hr0 n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1hr0 s ILE 100 N -2.85 4.61 0.88 -3.67 1.01 -1.12 -4.67 121.20 115.40 1hr0 s ILE 100 Ca 0.52 1.00 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 1hr0 s ILE 100 Cb 0.41 -4.31 0.13 0.00 0.01 0.00 0.00 42.46 38.70 1hr0 s ILE 100 CO 0.14 -0.56 1.17 -2.16 0.00 0.00 0.00 174.94 173.53 1hr0 s PRO 101 N 3.40 1.18 -0.59 2.79 0.04 -1.26 -4.99 135.00 135.58 1hr0 s PRO 101 Ca 0.36 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 1hr0 s PRO 101 Cb -0.12 -1.74 0.15 0.00 0.04 0.00 0.00 34.50 32.83 1hr0 s PRO 101 CO 0.19 -2.53 0.40 1.03 0.04 0.00 0.00 177.00 176.14 1hr0 s ARG 102 N -4.48 2.49 0.12 4.56 0.52 -1.26 -4.91 118.95 115.99 1hr0 s ARG 102 Ca 0.69 -2.39 -0.33 0.00 -0.52 0.00 0.00 55.73 53.18 1hr0 s ARG 102 Cb -0.25 -3.73 -0.13 0.00 0.52 0.00 0.00 34.95 31.37 1hr0 s ARG 102 CO 0.56 -1.16 1.67 0.28 0.02 0.00 0.00 175.30 176.66 1hr0 n VAL 103 N 3.72 0.13 -4.06 3.52 0.31 -1.26 -3.40 118.33 117.29 1hr0 n VAL 103 Ca 0.06 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.95 1hr0 n VAL 103 Cb 0.39 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1hr0 n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1hr0 n ARG 104 N 4.20 -0.67 -4.33 5.55 5.12 -1.26 -0.37 116.66 124.90 1hr0 n ARG 104 Ca 0.18 0.15 -0.38 0.00 -1.93 0.00 0.00 57.85 55.86 1hr0 n ARG 104 Cb 0.30 -3.03 -0.05 0.00 -1.16 0.00 0.00 32.46 28.53 1hr0 n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1hr0 n ARG 105 N -4.83 -2.31 0.00 5.56 3.00 -1.22 0.25 116.66 117.11 1hr0 n ARG 105 Ca -0.16 0.29 0.00 0.00 -0.01 0.00 0.00 57.85 57.98 1hr0 n ARG 105 Cb 0.60 -4.94 0.00 0.00 0.00 0.00 0.00 32.46 28.12 1hr0 n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hr0 n GLY 106 N -1.31 3.07 0.29 -0.13 0.00 0.50 -4.83 105.19 102.77 1hr0 n GLY 106 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.28 1hr0 n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hr0 h LEU 107 N 0.00 0.00-10.14 0.99 3.38 -0.22 -3.43 115.31 105.89 1hr0 h LEU 107 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1hr0 h LEU 107 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1hr0 h LEU 107 CO 0.00 0.01 -0.42 -0.83 0.09 0.00 0.00 178.44 177.29 1hr0 s GLY 108 N -4.18 2.60 0.24 0.83 0.00 -1.07 -4.94 107.32 100.80 1hr0 s GLY 108 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.59 1hr0 s GLY 108 CO 0.53 -2.03 0.07 -0.26 0.00 0.00 0.00 173.10 171.41 1hr0 s ILE 109 N -2.77 0.62 -0.01 0.90 -5.25 0.15 -4.44 121.20 110.40 1hr0 s ILE 109 Ca 0.26 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 57.95 1hr0 s ILE 109 Cb 0.01 -2.50 -0.00 0.00 2.95 0.00 0.00 42.46 42.91 1hr0 s ILE 109 CO 0.15 -0.13 -0.08 0.00 -1.79 0.00 0.00 174.94 173.08 1hr0 s ALA 110 N -3.71 0.73 -0.33 2.27 0.00 -1.26 0.50 121.76 119.96 1hr0 s ALA 110 Ca 0.34 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1hr0 s ALA 110 Cb 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1hr0 s ALA 110 CO 0.11 0.16 0.16 0.42 0.00 0.00 0.00 175.76 176.62 1hr0 s ILE 111 N -0.09 4.50 0.25 0.00 1.01 0.12 -1.65 121.20 125.35 1hr0 s ILE 111 Ca 0.02 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1hr0 s ILE 111 Cb -0.05 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1hr0 s ILE 111 CO -0.00 -0.05 0.41 -0.76 0.00 0.00 0.00 174.94 174.53 1hr0 s LEU 112 N 1.57 4.23 -0.22 2.97 2.01 -0.39 -2.27 118.68 126.59 1hr0 s LEU 112 Ca 0.03 0.22 0.01 0.00 0.01 0.00 0.00 54.13 54.40 1hr0 s LEU 112 Cb -0.18 -3.02 0.03 0.00 0.01 0.00 0.00 46.19 43.03 1hr0 s LEU 112 CO 0.06 -0.11 -0.15 -0.55 1.01 0.00 0.00 176.35 176.60 1hr0 s SER 113 N -3.83 3.73 0.37 2.29 0.15 -0.51 -2.44 113.70 113.46 1hr0 s SER 113 Ca 0.36 -0.92 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1hr0 s SER 113 Cb -0.10 -1.53 -0.07 0.00 -1.71 0.00 0.00 66.02 62.61 1hr0 s SER 113 CO 0.31 -0.08 -0.02 0.42 1.20 0.00 0.00 173.24 175.07 1hr0 s THR 114 N 1.23 1.92 -1.87 6.45 -4.23 0.62 -1.93 115.64 117.84 1hr0 s THR 114 Ca -0.00 -2.06 0.15 0.00 -1.18 0.00 0.00 61.69 58.59 1hr0 s THR 114 Cb -0.16 -2.83 0.39 0.00 1.34 0.00 0.00 72.50 71.24 1hr0 s THR 114 CO -0.09 -0.08 1.33 -1.54 -0.54 0.00 0.00 174.62 173.70 1hr0 n SER 115 N -0.85 0.00 -1.54 3.99 3.41 -1.26 -0.38 113.62 116.99 1hr0 n SER 115 Ca -0.05 -0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.09 1hr0 n SER 115 Cb 0.66 -0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.72 1hr0 n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1hr0 n LYS 116 N -1.06 2.10 0.00 4.33 5.02 -1.26 -5.07 118.16 122.21 1hr0 n LYS 116 Ca 0.10 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 1hr0 n LYS 116 Cb 0.07 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1hr0 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hr0 n GLY 117 N -1.09 -2.52 3.36 0.72 0.00 0.49 -4.73 105.19 101.42 1hr0 n GLY 117 Ca 0.42 -1.70 -0.46 0.00 0.00 0.00 0.00 46.02 44.28 1hr0 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 118 N -0.53 5.36 0.42 1.61 1.01 -1.26 -0.27 120.40 126.73 1hr0 s VAL 118 Ca 0.00 -2.18 0.08 0.00 0.00 0.00 0.00 61.98 59.87 1hr0 s VAL 118 Cb 0.00 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 1hr0 s VAL 118 CO 0.00 -1.15 0.46 -1.48 0.00 0.00 0.00 175.10 172.93 1hr0 s LEU 119 N 0.91 3.52 0.00 3.92 2.34 -1.02 -4.92 118.68 123.42 1hr0 s LEU 119 Ca 0.21 -0.60 -0.01 0.00 0.06 0.00 0.00 54.13 53.79 1hr0 s LEU 119 Cb -0.10 -2.32 0.02 0.00 -0.56 0.00 0.00 46.19 43.23 1hr0 s LEU 119 CO -0.08 -0.69 0.13 0.35 -1.06 0.00 0.00 176.35 174.99 1hr0 n THR 120 N -1.67 0.00 -0.01 5.48 -2.24 -1.26 -1.26 114.28 113.32 1hr0 n THR 120 Ca 0.05 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 1hr0 n THR 120 Cb 0.60 -1.82 -0.08 0.00 -2.10 0.00 0.00 70.33 66.93 1hr0 n THR 120 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1hr0 h ASP 121 N -0.15 0.88 -0.45 3.42 2.03 -1.70 -0.18 116.42 120.28 1hr0 h ASP 121 Ca -0.04 -0.66 -0.04 0.00 -0.73 0.00 0.00 57.03 55.56 1hr0 h ASP 121 Cb 0.12 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.34 1hr0 h ASP 121 CO 0.03 1.40 0.14 0.03 -1.03 0.00 0.00 179.24 179.81 1hr0 h ARG 122 N 0.43 0.69 -0.48 4.15 3.08 -1.94 0.41 114.38 120.71 1hr0 h ARG 122 Ca -0.07 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1hr0 h ARG 122 Cb 1.43 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 1hr0 h ARG 122 CO 0.16 0.67 0.30 0.93 -1.07 0.00 0.00 179.97 180.96 1hr0 h GLU 123 N 0.58 0.59 0.12 0.04 5.08 -1.92 0.31 114.58 119.39 1hr0 h GLU 123 Ca 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1hr0 h GLU 123 Cb 0.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1hr0 h GLU 123 CO -0.00 0.39 -0.06 0.00 -1.00 0.00 0.00 179.01 178.34 1hr0 h ALA 124 N 1.20 -0.16 -0.27 3.43 0.00 -0.62 -0.79 119.26 122.05 1hr0 h ALA 124 Ca 0.19 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1hr0 h ALA 124 Cb -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1hr0 h ALA 124 CO -0.07 -0.44 -0.09 -0.09 0.00 0.00 0.00 179.25 178.56 1hr0 h ARG 125 N -0.45 -0.03 -0.15 0.00 2.43 0.05 0.43 114.38 116.65 1hr0 h ARG 125 Ca -0.02 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1hr0 h ARG 125 Cb 0.37 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1hr0 h ARG 125 CO 0.03 -0.02 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.01 1hr0 h LYS 126 N -0.03 -0.27 0.00 0.20 3.64 -0.31 0.13 116.57 119.93 1hr0 h LYS 126 Ca 0.13 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1hr0 h LYS 126 Cb 0.24 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1hr0 h LYS 126 CO -0.30 -0.18 0.00 1.28 -2.27 0.00 0.00 179.45 177.98 1hr0 n LEU 127 N -5.36 0.00 -3.94 5.20 7.99 -0.31 -4.89 117.00 115.69 1hr0 n LEU 127 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.72 1hr0 n LEU 127 Cb 0.28 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.58 1hr0 n LEU 127 CO 0.18 0.00 -0.18 0.61 -1.51 0.00 0.00 177.39 176.49 1hr0 n GLY 128 N 0.13 -0.26 3.23 -0.72 0.00 0.47 -4.99 105.19 103.05 1hr0 n GLY 128 Ca 0.02 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1hr0 n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hr0 s VAL 129 N -3.83 0.08 0.21 1.61 -7.23 -0.84 -4.94 120.40 105.46 1hr0 s VAL 129 Ca 0.10 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1hr0 s VAL 129 Cb -0.05 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 1hr0 s VAL 129 CO 0.88 -0.37 0.07 0.61 -0.31 0.00 0.00 175.10 175.98 1hr0 n GLY 130 N -0.15 3.67 0.00 2.32 0.00 -1.26 -4.36 105.19 105.41 1hr0 n GLY 130 Ca -0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1hr0 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hr0 n GLY 131 N 0.80 -0.74 3.73 -0.02 0.00 -0.83 -4.55 105.19 103.57 1hr0 n GLY 131 Ca -0.03 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1hr0 n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hr0 s GLU 132 N -1.17 4.22 -1.27 1.61 2.12 -0.81 -1.15 118.70 122.24 1hr0 s GLU 132 Ca 0.00 2.38 -0.09 0.00 0.36 0.00 0.00 54.97 57.63 1hr0 s GLU 132 Cb 0.00 -3.12 0.17 0.00 0.26 0.00 0.00 34.13 31.45 1hr0 s GLU 132 CO 0.00 -0.55 1.88 -0.11 -0.54 0.00 0.00 175.26 175.94 1hr0 n LEU 133 N 3.12 6.72 -0.35 2.70 0.00 0.11 -1.42 117.00 127.88 1hr0 n LEU 133 Ca 0.11 -4.70 -0.01 0.00 0.00 0.00 0.00 56.01 51.41 1hr0 n LEU 133 Cb 0.39 -1.46 0.04 0.00 0.00 0.00 0.00 43.42 42.39 1hr0 n LEU 133 CO 0.62 1.44 0.53 -0.38 0.00 0.00 0.00 177.39 179.60 1hr0 n ILE 134 N 3.10 -0.47 -3.61 1.96 5.41 -0.96 -2.83 119.36 121.96 1hr0 n ILE 134 Ca 0.40 2.12 -0.05 0.00 1.00 0.00 0.00 62.75 66.22 1hr0 n ILE 134 Cb 0.35 -2.81 -0.03 0.00 -0.71 0.00 0.00 39.64 36.44 1hr0 n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1hr0 s GLU 136 N -1.70 3.22 -0.26 0.00 -1.05 -1.08 0.16 118.70 117.99 1hr0 s GLU 136 Ca 0.07 -0.90 -0.15 0.00 -0.15 0.00 0.00 54.97 53.84 1hr0 s GLU 136 Cb -0.01 -2.77 0.08 0.00 -0.44 0.00 0.00 34.13 30.99 1hr0 s GLU 136 CO -0.05 0.36 0.64 0.08 0.95 0.00 0.00 175.26 177.24 1hr0 s VAL 137 N -2.06 -0.00 0.00 1.83 1.01 0.18 -2.33 120.40 119.02 1hr0 s VAL 137 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1hr0 s VAL 137 Cb -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1hr0 s VAL 137 CO 0.28 0.01 0.00 -2.67 0.00 0.00 0.00 175.10 172.72