#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 h THR 2 N 0.00 0.11 -0.88 0.00 2.02 -2.01 -3.49 112.91 108.66 3i55 h THR 2 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3i55 h THR 2 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3i55 h THR 2 CO 0.00 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.51 3i55 n GLY 3 N -1.01 3.83 0.21 2.16 0.00 -1.26 -5.04 105.19 104.09 3i55 n GLY 3 Ca -0.13 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3i55 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i55 h PRO 4 N 0.00 0.70 0.00 1.61 0.11 -2.07 -3.09 132.00 129.25 3i55 h PRO 4 Ca 0.00 -0.49 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i55 h PRO 4 Cb 0.00 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3i55 h PRO 4 CO 0.00 1.11 0.00 -2.13 -0.21 0.00 0.00 178.00 176.77 3i55 n ARG 5 N -4.13 0.16 -1.48 1.05 0.63 -1.26 -4.78 116.66 106.85 3i55 n ARG 5 Ca -0.06 0.54 -0.35 0.00 -0.92 0.00 0.00 57.85 57.06 3i55 n ARG 5 Cb 0.61 -1.91 0.09 0.00 0.45 0.00 0.00 32.46 31.70 3i55 n ARG 5 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 3i55 s TYR 6 N -3.43 2.02 -0.20 -0.14 5.04 -1.17 -5.02 117.35 114.44 3i55 s TYR 6 Ca 0.01 1.58 -0.00 0.00 -2.44 0.00 0.00 57.07 56.21 3i55 s TYR 6 Cb 0.07 -3.54 0.05 0.00 0.35 0.00 0.00 41.96 38.90 3i55 s TYR 6 CO 0.28 -2.73 -0.04 0.21 -1.34 0.00 0.00 175.55 171.93 3i55 s LYS 7 N -3.78 1.43 -0.27 4.97 2.47 -1.26 -4.93 119.74 118.37 3i55 s LYS 7 Ca 0.76 -0.73 -0.13 0.00 -1.56 0.00 0.00 55.97 54.31 3i55 s LYS 7 Cb -0.31 -2.31 -0.04 0.00 -1.46 0.00 0.00 37.83 33.70 3i55 s LYS 7 CO 0.44 -0.54 0.29 0.08 0.16 0.00 0.00 175.35 175.78 3i55 s VAL 8 N 1.55 5.24 0.66 4.02 1.01 -1.26 -5.02 120.40 126.60 3i55 s VAL 8 Ca -0.03 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 3i55 s VAL 8 Cb -0.17 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3i55 s VAL 8 CO -0.07 0.21 0.53 -2.65 0.00 0.00 0.00 175.10 173.12 3i55 n PRO 9 N 5.11 0.41 -1.65 2.72 -0.02 -1.26 -4.86 135.00 135.44 3i55 n PRO 9 Ca -0.11 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 3i55 n PRO 9 Cb 0.51 -1.78 -0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3i55 n PRO 9 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i55 n MET 10 N -0.43 1.72 -0.07 -0.52 2.81 -1.26 -4.59 117.12 114.78 3i55 n MET 10 Ca 0.11 0.61 -0.03 0.00 -1.81 0.00 0.00 57.70 56.58 3i55 n MET 10 Cb 0.49 -2.15 -0.02 0.00 -0.71 0.00 0.00 33.22 30.83 3i55 n MET 10 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3i55 h ARG 11 N 2.10 -0.03 0.00 0.03 2.43 -2.00 0.54 114.38 117.45 3i55 h ARG 11 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i55 h ARG 11 Cb 1.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3i55 h ARG 11 CO 0.60 -0.02 0.12 0.54 -1.51 0.00 0.00 179.97 179.70 3i55 n ARG 12 N -3.42 0.00 -0.11 0.20 5.12 -1.26 0.98 116.66 118.16 3i55 n ARG 12 Ca -0.00 0.13 -0.13 0.00 -1.93 0.00 0.00 57.85 55.92 3i55 n ARG 12 Cb 0.06 -1.62 -0.14 0.00 -1.16 0.00 0.00 32.46 29.61 3i55 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i55 n ARG 13 N -1.01 0.69 0.31 5.56 3.00 0.18 -2.47 116.66 122.92 3i55 n ARG 13 Ca 0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 57.85 57.78 3i55 n ARG 13 Cb 0.12 -1.52 -0.06 0.00 0.00 0.00 0.00 32.46 31.00 3i55 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i55 h ARG 14 N 0.00 -0.76 -0.93 -0.14 3.08 0.15 -1.24 114.38 114.53 3i55 h ARG 14 Ca -0.56 0.05 0.27 0.00 0.07 0.00 0.00 59.98 59.81 3i55 h ARG 14 Cb 2.10 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 32.28 3i55 h ARG 14 CO -0.02 -0.51 1.03 0.93 -1.07 0.00 0.00 179.97 180.33 3i55 h GLU 15 N -0.79 0.00 -5.05 0.04 5.08 -1.55 -3.44 114.58 108.87 3i55 h GLU 15 Ca -0.08 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 3i55 h GLU 15 Cb 0.61 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.01 3i55 h GLU 15 CO 0.13 0.00 -0.65 0.00 -1.00 0.00 0.00 179.01 177.49 3i55 n ALA 16 N -2.32 -2.19 0.00 3.43 0.00 -0.47 -4.96 120.51 114.01 3i55 n ALA 16 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3i55 n ALA 16 Cb 1.32 -4.57 0.00 0.00 0.00 0.00 0.00 19.45 16.20 3i55 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i55 n ARG 17 N -2.81 2.80 -4.65 0.00 1.74 -1.03 -5.04 116.66 107.66 3i55 n ARG 17 Ca -0.05 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.76 3i55 n ARG 17 Cb 0.59 -0.75 -0.17 0.00 -1.02 0.00 0.00 32.46 31.12 3i55 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i55 s THR 18 N -1.10 1.35 -1.12 0.55 2.01 -1.04 -4.76 115.64 111.53 3i55 s THR 18 Ca 0.00 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3i55 s THR 18 Cb 0.00 -1.22 0.26 0.00 0.01 0.00 0.00 72.50 71.55 3i55 s THR 18 CO 0.00 0.40 1.15 -0.62 -0.69 0.00 0.00 174.62 174.86 3i55 s ASP 19 N 0.70 7.28 0.26 3.53 2.15 -1.26 -4.67 116.67 124.64 3i55 s ASP 19 Ca -0.13 -3.50 -0.06 0.00 0.43 0.00 0.00 52.55 49.29 3i55 s ASP 19 Cb -0.16 -2.24 0.48 0.00 -0.30 0.00 0.00 42.92 40.71 3i55 s ASP 19 CO 0.03 -0.35 1.62 1.88 -0.17 0.00 0.00 175.17 178.18 3i55 h TYR 20 N 6.76 -0.07 -0.37 -5.34 -1.99 -1.97 0.50 116.97 114.50 3i55 h TYR 20 Ca 0.19 0.06 0.07 0.00 2.00 0.00 0.00 58.73 61.05 3i55 h TYR 20 Cb 0.88 0.16 -0.06 0.00 2.00 0.00 0.00 36.73 39.70 3i55 h TYR 20 CO 0.81 -0.27 -0.04 0.45 -0.00 0.00 0.00 178.16 179.11 3i55 h HIS 21 N 0.09 -0.09 -0.34 4.88 3.86 -2.01 0.97 115.15 122.51 3i55 h HIS 21 Ca 0.44 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.60 3i55 h HIS 21 Cb 0.79 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3i55 h HIS 21 CO -0.45 -0.11 -0.12 0.37 0.86 0.00 0.00 177.93 178.49 3i55 h GLN 22 N 0.06 0.67 -0.47 2.45 4.15 -1.43 -3.19 115.11 117.36 3i55 h GLN 22 Ca 0.18 -0.27 0.09 0.00 0.77 0.00 0.00 58.65 59.41 3i55 h GLN 22 Cb 0.26 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.82 3i55 h GLN 22 CO -0.33 0.86 -0.35 -0.09 -1.93 0.00 0.00 178.83 176.99 3i55 h ARG 23 N 0.45 -0.22 -0.37 1.69 2.43 0.11 -2.17 114.38 116.30 3i55 h ARG 23 Ca 0.08 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3i55 h ARG 23 Cb 0.63 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.15 3i55 h ARG 23 CO 0.04 -0.15 -0.54 1.25 -1.51 0.00 0.00 179.97 179.06 3i55 h LEU 24 N -0.23 -1.78 -0.98 3.80 5.85 -0.84 0.31 115.31 121.44 3i55 h LEU 24 Ca 0.19 0.24 0.28 0.00 0.84 0.00 0.00 57.88 59.42 3i55 h LEU 24 Cb 0.55 0.73 -0.14 0.00 0.37 0.00 0.00 40.66 42.17 3i55 h LEU 24 CO -0.59 -0.41 0.53 0.03 -0.34 0.00 0.00 178.44 177.65 3i55 h ARG 25 N -0.41 0.40 0.29 1.25 -0.00 -1.44 -1.00 114.38 113.46 3i55 h ARG 25 Ca 0.08 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.52 3i55 h ARG 25 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.49 3i55 h ARG 25 CO -0.57 0.26 -0.14 1.25 0.00 0.00 0.00 179.97 180.77 3i55 h LEU 26 N 0.41 -0.32 -1.06 3.04 5.85 0.04 -3.02 115.31 120.25 3i55 h LEU 26 Ca 0.67 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.68 3i55 h LEU 26 Cb 1.40 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 3i55 h LEU 26 CO -0.56 -0.20 1.18 -0.07 -0.34 0.00 0.00 178.44 178.46 3i55 h LEU 27 N -0.45 0.00 0.03 2.25 3.38 0.64 -1.99 115.31 119.17 3i55 h LEU 27 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i55 h LEU 27 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i55 h LEU 27 CO 0.06 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.69 3i55 h LYS 28 N 0.00 -0.04 -1.40 1.13 1.57 -1.18 -3.12 116.57 113.54 3i55 h LYS 28 Ca 0.46 0.00 0.48 0.00 -1.87 0.00 0.00 60.65 59.72 3i55 h LYS 28 Cb 2.83 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 35.01 3i55 h LYS 28 CO -0.00 0.11 0.90 0.66 -0.57 0.00 0.00 179.45 180.55 3i55 h SER 29 N -0.17 0.20 0.00 0.86 4.64 -1.49 -3.44 113.55 114.15 3i55 h SER 29 Ca -0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3i55 h SER 29 Cb 0.16 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3i55 h SER 29 CO 0.01 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.33 3i55 n GLY 30 N -1.54 3.03 3.84 -0.77 0.00 -1.18 -5.04 105.19 103.53 3i55 n GLY 30 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 3i55 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i55 s LYS 31 N -0.68 4.03 0.51 1.61 1.02 -1.26 -5.02 119.74 119.94 3i55 s LYS 31 Ca 0.00 0.99 -0.22 0.00 0.02 0.00 0.00 55.97 56.76 3i55 s LYS 31 Cb 0.00 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 3i55 s LYS 31 CO 0.00 -0.19 1.25 -2.14 -0.92 0.00 0.00 175.35 173.34 3i55 s PRO 32 N -3.80 3.44 -0.03 -1.68 0.02 -1.25 -4.65 135.00 127.04 3i55 s PRO 32 Ca 0.60 1.97 -0.25 0.00 0.02 0.00 0.00 61.00 63.33 3i55 s PRO 32 Cb -0.10 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 3i55 s PRO 32 CO 0.26 -0.87 0.77 1.03 -0.33 0.00 0.00 177.00 177.87 3i55 s ARG 33 N -2.83 4.47 -1.11 5.54 0.52 -0.12 -0.98 118.95 124.45 3i55 s ARG 33 Ca 0.68 1.03 -0.13 0.00 -0.52 0.00 0.00 55.73 56.79 3i55 s ARG 33 Cb -0.34 -3.43 0.20 0.00 0.52 0.00 0.00 34.95 31.90 3i55 s ARG 33 CO 0.40 0.08 1.23 -1.17 0.02 0.00 0.00 175.30 175.86 3i55 s LEU 34 N 0.68 5.61 0.04 2.53 2.96 -0.16 -0.05 118.68 130.29 3i55 s LEU 34 Ca 0.41 -3.03 -0.30 0.00 -0.22 0.00 0.00 54.13 50.99 3i55 s LEU 34 Cb -0.19 -2.32 -0.09 0.00 0.50 0.00 0.00 46.19 44.09 3i55 s LEU 34 CO 0.21 -0.63 1.96 -0.69 -1.32 0.00 0.00 176.35 175.88 3i55 s VAL 35 N 0.71 3.01 -0.24 1.68 1.01 0.25 -2.32 120.40 124.50 3i55 s VAL 35 Ca 0.35 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3i55 s VAL 35 Cb -0.06 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.35 3i55 s VAL 35 CO -0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 175.10 174.93 3i55 s ALA 36 N 4.40 2.53 -0.02 5.51 0.00 -0.97 -0.62 121.76 132.59 3i55 s ALA 36 Ca 0.88 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3i55 s ALA 36 Cb -0.43 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 3i55 s ALA 36 CO 0.41 -0.96 -0.12 1.03 0.00 0.00 0.00 175.76 176.12 3i55 s ARG 37 N 1.17 1.08 0.64 0.00 1.81 -0.69 -4.44 118.95 118.53 3i55 s ARG 37 Ca -0.05 -0.44 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 3i55 s ARG 37 Cb -0.18 -1.03 0.11 0.00 -0.45 0.00 0.00 34.95 33.40 3i55 s ARG 37 CO -0.07 0.24 0.88 0.15 -0.68 0.00 0.00 175.30 175.82 3i55 s LYS 38 N -0.18 2.01 -0.12 3.54 1.02 -1.26 -0.74 119.74 124.02 3i55 s LYS 38 Ca 0.03 -1.45 -0.30 0.00 0.02 0.00 0.00 55.97 54.26 3i55 s LYS 38 Cb -0.06 -2.52 0.11 0.00 -0.52 0.00 0.00 37.83 34.84 3i55 s LYS 38 CO -0.00 -1.13 0.91 0.45 -0.92 0.00 0.00 175.35 174.66 3i55 s SER 39 N -4.71 -0.44 0.19 2.83 0.15 0.23 -4.85 113.70 107.10 3i55 s SER 39 Ca 0.64 0.43 -0.18 0.00 0.70 0.00 0.00 55.95 57.54 3i55 s SER 39 Cb -0.05 0.37 0.16 0.00 -1.71 0.00 0.00 66.02 64.78 3i55 s SER 39 CO 0.41 -0.44 1.61 0.78 1.20 0.00 0.00 173.24 176.81 3i55 h ASN 40 N 2.60 -0.85 0.00 5.45 2.35 -1.99 -2.75 115.58 120.40 3i55 h ASN 40 Ca -0.21 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3i55 h ASN 40 Cb 1.17 0.46 0.00 0.00 0.05 0.00 0.00 38.32 40.00 3i55 h ASN 40 CO 0.33 -0.26 -1.44 0.29 -1.65 0.00 0.00 177.43 174.70 3i55 n LYS 41 N -5.43 0.37 -4.50 0.81 5.02 -1.26 -4.75 118.16 108.42 3i55 n LYS 41 Ca 0.05 -0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 3i55 n LYS 41 Cb 0.33 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.77 3i55 n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i55 s HIS 42 N -3.21 1.79 -0.19 2.13 3.76 -1.04 -3.51 115.29 115.03 3i55 s HIS 42 Ca 0.01 -1.27 -0.06 0.00 -0.15 0.00 0.00 55.06 53.59 3i55 s HIS 42 Cb 0.15 -1.15 0.09 0.00 1.11 0.00 0.00 32.58 32.78 3i55 s HIS 42 CO 0.87 -0.29 0.39 0.08 -0.85 0.00 0.00 174.74 174.94 3i55 s VAL 43 N -3.24 -0.60 0.11 -0.90 1.01 -1.25 -0.60 120.40 114.93 3i55 s VAL 43 Ca 0.25 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.47 3i55 s VAL 43 Cb 0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3i55 s VAL 43 CO 0.15 0.07 -0.02 -0.60 0.00 0.00 0.00 175.10 174.70 3i55 s ARG 44 N 2.57 2.45 -0.42 2.72 3.52 0.08 -1.05 118.95 128.82 3i55 s ARG 44 Ca -0.00 -0.93 0.04 0.00 -0.13 0.00 0.00 55.73 54.71 3i55 s ARG 44 Cb -0.12 -2.46 0.17 0.00 -1.56 0.00 0.00 34.95 30.98 3i55 s ARG 44 CO -0.12 0.51 0.39 0.00 -0.81 0.00 0.00 175.30 175.27 3i55 s ALA 45 N -1.39 0.78 0.43 6.12 0.00 -0.37 -1.70 121.76 125.63 3i55 s ALA 45 Ca 0.25 -2.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 3i55 s ALA 45 Cb -0.11 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 3i55 s ALA 45 CO 0.18 -2.03 0.86 -0.65 0.00 0.00 0.00 175.76 174.12 3i55 s GLN 46 N 0.32 3.94 -0.33 0.00 -0.21 0.21 -3.59 119.66 119.98 3i55 s GLN 46 Ca 0.31 0.75 0.01 0.00 0.02 0.00 0.00 55.36 56.44 3i55 s GLN 46 Cb 0.00 -2.29 0.08 0.00 1.00 0.00 0.00 33.01 31.81 3i55 s GLN 46 CO -0.15 -0.07 0.05 -0.51 -2.12 0.00 0.00 175.29 172.48 3i55 s LEU 47 N -3.67 4.46 -0.02 2.90 2.01 0.16 0.88 118.68 125.41 3i55 s LEU 47 Ca 0.56 -1.78 -0.03 0.00 0.01 0.00 0.00 54.13 52.89 3i55 s LEU 47 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 3i55 s LEU 47 CO 0.26 -0.36 0.17 -0.69 1.01 0.00 0.00 176.35 176.74 3i55 s VAL 48 N 1.08 5.36 0.14 -1.59 1.01 0.92 -1.68 120.40 125.65 3i55 s VAL 48 Ca 0.03 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.94 3i55 s VAL 48 Cb -0.20 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3i55 s VAL 48 CO -0.05 0.35 -0.20 0.28 0.00 0.00 0.00 175.10 175.49 3i55 s THR 49 N -1.28 1.83 0.33 3.92 -1.32 0.47 -0.94 115.64 118.65 3i55 s THR 49 Ca 0.26 -1.77 -0.26 0.00 -1.21 0.00 0.00 61.69 58.71 3i55 s THR 49 Cb -0.12 -1.75 -0.10 0.00 -1.51 0.00 0.00 72.50 69.01 3i55 s THR 49 CO 0.17 -0.18 0.97 -0.22 -2.21 0.00 0.00 174.62 173.15 3i55 s LEU 50 N -2.33 4.33 0.18 9.08 2.96 -1.26 0.57 118.68 132.20 3i55 s LEU 50 Ca 0.12 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 3i55 s LEU 50 Cb -0.08 -4.02 -0.04 0.00 0.50 0.00 0.00 46.19 42.55 3i55 s LEU 50 CO 0.06 -0.13 0.05 -0.83 -1.32 0.00 0.00 176.35 174.18 3i55 s GLY 51 N -1.57 1.26 0.57 7.98 0.00 -1.19 -4.75 107.32 109.62 3i55 s GLY 51 Ca 0.51 -1.61 0.30 0.00 0.00 0.00 0.00 44.72 43.91 3i55 s GLY 51 CO 0.25 -1.47 2.19 -2.55 0.00 0.00 0.00 173.10 171.52 3i55 h PRO 52 N 2.69 0.00 0.00 2.90 0.11 -1.98 -3.10 132.00 132.63 3i55 h PRO 52 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3i55 h PRO 52 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i55 h PRO 52 CO 0.60 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 3i55 n ASN 53 N -3.73 0.04 0.00 -2.05 3.02 -1.26 -5.11 115.26 106.18 3i55 n ASN 53 Ca -0.03 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3i55 n ASN 53 Cb 0.14 0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 3i55 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i55 n GLY 54 N 0.83 2.78 3.54 7.41 0.00 -1.17 -5.14 105.19 113.44 3i55 n GLY 54 Ca 0.00 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 3i55 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i55 n ASP 55 N 0.00 -0.20 -4.54 1.61 8.00 -1.26 -3.16 116.55 117.00 3i55 n ASP 55 Ca 0.00 0.75 -0.30 0.00 0.71 0.00 0.00 54.79 55.95 3i55 n ASP 55 Cb 0.00 -1.28 -0.11 0.00 -0.02 0.00 0.00 41.12 39.71 3i55 n ASP 55 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3i55 s ASP 56 N -1.26 4.25 -0.33 -2.24 1.01 0.19 -4.82 116.67 113.48 3i55 s ASP 56 Ca 0.72 -0.37 -0.00 0.00 0.71 0.00 0.00 52.55 53.61 3i55 s ASP 56 Cb -0.42 -0.80 0.08 0.00 1.01 0.00 0.00 42.92 42.79 3i55 s ASP 56 CO 0.51 0.21 0.05 -0.89 0.21 0.00 0.00 175.17 175.26 3i55 s THR 57 N -1.11 2.80 -0.50 -1.27 2.01 -1.26 -0.40 115.64 115.92 3i55 s THR 57 Ca 0.19 -1.80 0.24 0.00 0.31 0.00 0.00 61.69 60.62 3i55 s THR 57 Cb -0.11 -2.80 0.17 0.00 0.01 0.00 0.00 72.50 69.78 3i55 s THR 57 CO 0.10 -0.36 1.43 -0.07 -0.69 0.00 0.00 174.62 175.04 3i55 h LEU 58 N 7.90 0.00 -6.84 4.42 4.07 -1.70 -3.46 115.31 119.70 3i55 h LEU 58 Ca -0.15 -0.06 0.13 0.00 0.08 0.00 0.00 57.88 57.88 3i55 h LEU 58 Cb 1.05 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.53 3i55 h LEU 58 CO 0.56 0.03 0.28 0.00 -1.08 0.00 0.00 178.44 178.23 3i55 s ALA 59 N -3.21 -2.38 0.00 1.53 0.00 -1.23 -4.78 121.76 111.69 3i55 s ALA 59 Ca 0.06 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.19 3i55 s ALA 59 Cb 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3i55 s ALA 59 CO 0.70 -0.58 0.00 -1.13 0.00 0.00 0.00 175.76 174.75 3i55 n SER 60 N 4.26 1.67 0.00 0.00 3.41 -1.26 0.40 113.62 122.10 3i55 n SER 60 Ca -0.15 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 3i55 n SER 60 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3i55 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i55 n ALA 61 N -3.00 0.00 -2.76 7.33 0.00 -1.24 -4.07 120.51 116.78 3i55 n ALA 61 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3i55 n ALA 61 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i55 n ALA 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i55 s HIS 62 N 0.00 3.25 0.47 0.00 2.46 -1.26 -1.24 115.29 118.97 3i55 s HIS 62 Ca 0.00 0.19 0.23 0.00 0.47 0.00 0.00 55.06 55.95 3i55 s HIS 62 Cb 0.00 -1.73 1.39 0.00 -0.13 0.00 0.00 32.58 32.11 3i55 s HIS 62 CO 0.00 0.53 2.09 0.66 -2.47 0.00 0.00 174.74 175.56 3i55 h SER 63 N 4.19 0.00 0.83 9.88 4.64 -1.43 -3.02 113.55 128.64 3i55 h SER 63 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 3i55 h SER 63 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3i55 h SER 63 CO 0.61 0.11 -0.41 0.77 -0.87 0.00 0.00 176.83 177.04 3i55 h SER 64 N 0.00 -0.97 0.00 4.97 4.64 -1.90 -1.64 113.55 118.64 3i55 h SER 64 Ca -0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3i55 h SER 64 Cb 0.24 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3i55 h SER 64 CO 0.01 -0.68 0.00 -0.90 -0.87 0.00 0.00 176.83 174.39 3i55 n ASP 65 N -5.05 0.53 0.05 4.97 5.75 -1.14 -2.06 116.55 119.60 3i55 n ASP 65 Ca -0.14 -1.00 -0.05 0.00 -0.01 0.00 0.00 54.79 53.59 3i55 n ASP 65 Cb 0.44 -0.25 -0.10 0.00 -1.03 0.00 0.00 41.12 40.19 3i55 n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3i55 h LEU 66 N 0.53 0.00 -0.69 -2.12 5.85 -1.25 -3.17 115.31 114.47 3i55 h LEU 66 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3i55 h LEU 66 Cb 0.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3i55 h LEU 66 CO 0.00 0.87 -0.53 0.00 -0.34 0.00 0.00 178.44 178.44 3i55 h ALA 67 N 1.13 0.89 -0.11 1.25 0.00 -1.55 -3.03 119.26 117.84 3i55 h ALA 67 Ca -0.09 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.37 3i55 h ALA 67 Cb 1.74 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3i55 h ALA 67 CO 0.10 0.66 0.58 1.49 0.00 0.00 0.00 179.25 182.08 3i55 h GLU 68 N 0.00 0.00 -0.02 0.00 4.81 -1.72 0.81 114.58 118.46 3i55 h GLU 68 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i55 h GLU 68 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3i55 h GLU 68 CO 0.07 0.00 -0.28 0.66 -0.73 0.00 0.00 179.01 178.73 3i55 n TYR 69 N -2.90 0.00 0.00 0.92 4.02 -1.14 -4.95 117.16 113.11 3i55 n TYR 69 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3i55 n TYR 69 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 3i55 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i55 n GLY 70 N 1.21 1.50 3.42 2.72 0.00 0.28 -5.09 105.19 109.24 3i55 n GLY 70 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3i55 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i55 s TRP 71 N -2.00 3.21 -2.89 1.61 -0.11 -1.12 -4.93 118.94 112.72 3i55 s TRP 71 Ca 0.00 -0.70 0.24 0.00 1.22 0.00 0.00 56.10 56.86 3i55 s TRP 71 Cb 0.00 -2.41 0.23 0.00 -1.50 0.00 0.00 33.47 29.78 3i55 s TRP 71 CO 0.00 -0.53 1.28 -1.91 -4.62 0.00 0.00 176.95 171.16 3i55 n GLU 72 N 5.01 2.33 -1.91 5.86 2.13 -1.26 -4.37 120.64 128.43 3i55 n GLU 72 Ca -0.13 -1.98 -0.16 0.00 0.66 0.00 0.00 57.16 55.56 3i55 n GLU 72 Cb 0.48 -1.46 0.08 0.00 0.27 0.00 0.00 31.44 30.81 3i55 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i55 n ALA 73 N 1.36 0.09 -0.54 4.31 0.00 -1.26 -4.88 120.51 119.59 3i55 n ALA 73 Ca 0.15 -1.32 -0.30 0.00 0.00 0.00 0.00 53.44 51.97 3i55 n ALA 73 Cb 0.60 0.21 0.27 0.00 0.00 0.00 0.00 19.45 20.53 3i55 n ALA 73 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i55 s PRO 74 N -4.25 -2.27 -0.26 0.00 0.02 -1.26 -5.02 135.00 121.97 3i55 s PRO 74 Ca 0.45 0.22 0.19 0.00 0.02 0.00 0.00 61.00 61.88 3i55 s PRO 74 Cb -0.02 -1.45 0.49 0.00 0.02 0.00 0.00 34.50 33.54 3i55 s PRO 74 CO 0.30 -4.46 1.13 0.25 -0.33 0.00 0.00 177.00 173.89 3i55 n THR 75 N -5.35 1.54 -2.70 0.99 -2.24 -1.26 -4.86 114.28 100.40 3i55 n THR 75 Ca 0.11 -3.16 -0.07 0.00 -2.27 0.00 0.00 64.05 58.66 3i55 n THR 75 Cb 0.59 0.68 0.08 0.00 -2.10 0.00 0.00 70.33 69.58 3i55 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i55 n GLY 76 N -0.59 1.52 2.74 3.38 0.00 -1.23 -3.30 105.19 107.71 3i55 n GLY 76 Ca 0.16 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 3i55 n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i55 n ASN 77 N -0.52 -0.44 0.20 1.61 0.23 -1.26 -5.00 115.26 110.08 3i55 n ASN 77 Ca 0.00 -2.86 -0.15 0.00 -0.53 0.00 0.00 54.58 51.04 3i55 n ASN 77 Cb 0.84 1.37 -0.08 0.00 -2.08 0.00 0.00 39.78 39.83 3i55 n ASN 77 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3i55 h MET 78 N 0.00 -0.42 -0.55 -3.83 2.86 -1.87 0.44 114.93 111.56 3i55 h MET 78 Ca -0.21 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3i55 h MET 78 Cb 1.02 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.70 3i55 h MET 78 CO 0.30 -0.26 0.08 -1.35 1.06 0.00 0.00 176.91 176.75 3i55 h PRO 79 N -0.48 0.20 0.28 -0.22 0.11 -1.68 0.35 132.00 130.57 3i55 h PRO 79 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3i55 h PRO 79 Cb 0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3i55 h PRO 79 CO 0.07 0.14 -0.28 1.03 -0.21 0.00 0.00 178.00 178.74 3i55 h SER 80 N 0.21 -0.78 -0.46 -2.05 0.87 -1.78 -2.60 113.55 106.96 3i55 h SER 80 Ca 0.28 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.96 3i55 h SER 80 Cb 0.41 0.26 -0.08 0.00 -0.44 0.00 0.00 62.40 62.55 3i55 h SER 80 CO -0.39 -0.37 -0.54 0.00 -0.53 0.00 0.00 176.83 175.00 3i55 h ALA 81 N -1.28 -0.74 -0.26 6.23 0.00 0.50 -1.15 119.26 122.56 3i55 h ALA 81 Ca -0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3i55 h ALA 81 Cb 0.49 1.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 3i55 h ALA 81 CO -0.04 -1.01 -0.26 -0.92 0.00 0.00 0.00 179.25 177.02 3i55 h TYR 82 N -0.34 -0.81 -0.70 0.00 3.20 -0.95 -1.13 116.97 116.25 3i55 h TYR 82 Ca 0.08 0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3i55 h TYR 82 Cb 0.55 0.39 -0.10 0.00 1.54 0.00 0.00 36.73 39.10 3i55 h TYR 82 CO -0.76 -0.21 -0.56 -0.07 -1.64 0.00 0.00 178.16 174.92 3i55 h LEU 83 N -0.13 -1.97 -0.95 2.82 3.38 -1.06 0.36 115.31 117.76 3i55 h LEU 83 Ca 0.04 0.28 0.27 0.00 0.09 0.00 0.00 57.88 58.57 3i55 h LEU 83 Cb 0.25 0.85 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 3i55 h LEU 83 CO -0.32 -0.32 0.44 0.74 0.09 0.00 0.00 178.44 179.08 3i55 h THR 84 N -0.20 0.37 0.74 0.22 2.02 -0.64 0.24 112.91 115.66 3i55 h THR 84 Ca 0.13 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3i55 h THR 84 Cb 0.51 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3i55 h THR 84 CO -0.77 0.06 -0.35 1.23 0.37 0.00 0.00 175.52 176.06 3i55 h GLY 85 N 0.34 -1.03 1.18 2.16 0.00 0.91 -1.79 103.07 104.84 3i55 h GLY 85 Ca 0.64 0.38 0.11 0.00 0.00 0.00 0.00 47.33 48.46 3i55 h GLY 85 CO -0.59 -0.38 0.30 -2.00 0.00 0.00 0.00 176.54 173.88 3i55 h LEU 86 N -1.01 0.00 0.42 3.11 5.85 0.37 0.31 115.31 124.36 3i55 h LEU 86 Ca -0.10 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3i55 h LEU 86 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3i55 h LEU 86 CO 0.17 0.00 -0.20 0.25 -0.34 0.00 0.00 178.44 178.31 3i55 h LEU 87 N 0.00 -0.48 -1.52 2.25 5.85 -0.21 -2.11 115.31 119.10 3i55 h LEU 87 Ca 0.19 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3i55 h LEU 87 Cb 0.78 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3i55 h LEU 87 CO -0.00 -0.08 0.34 0.00 -0.34 0.00 0.00 178.44 178.36 3i55 h ALA 88 N -0.63 1.68 -0.95 1.25 0.00 -0.58 -0.33 119.26 119.70 3i55 h ALA 88 Ca -0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i55 h ALA 88 Cb 0.56 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3i55 h ALA 88 CO 0.09 0.28 0.62 0.78 0.00 0.00 0.00 179.25 181.03 3i55 h GLY 89 N 0.65 1.40 0.40 0.00 0.00 -0.32 0.16 103.07 105.37 3i55 h GLY 89 Ca 0.19 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3i55 h GLY 89 CO -0.05 0.36 -0.12 1.41 0.00 0.00 0.00 176.54 178.15 3i55 h LEU 90 N 1.14 -0.27 -0.62 3.11 3.38 -0.39 -1.85 115.31 119.81 3i55 h LEU 90 Ca 0.40 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.26 3i55 h LEU 90 Cb 0.11 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 3i55 h LEU 90 CO -0.14 0.23 -0.12 0.03 0.09 0.00 0.00 178.44 178.53 3i55 h ARG 91 N -0.93 0.02 -0.84 1.13 3.08 -1.15 0.72 114.38 116.42 3i55 h ARG 91 Ca -0.03 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3i55 h ARG 91 Cb 0.49 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3i55 h ARG 91 CO 0.05 0.01 0.55 0.00 -1.07 0.00 0.00 179.97 179.51 3i55 h ALA 92 N 1.61 1.61 0.00 0.04 0.00 -1.00 0.57 119.26 122.09 3i55 h ALA 92 Ca 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3i55 h ALA 92 Cb 0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i55 h ALA 92 CO -0.62 0.25 -0.04 1.96 0.00 0.00 0.00 179.25 180.80 3i55 h GLN 93 N 0.89 0.00 -0.03 0.00 1.08 0.13 -0.33 115.11 116.85 3i55 h GLN 93 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 3i55 h GLN 93 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3i55 h GLN 93 CO -0.14 0.04 0.00 0.39 -0.95 0.00 0.00 178.83 178.17 3i55 n GLU 94 N -3.50 1.50 0.00 1.46 -0.58 0.20 -3.79 120.64 115.93 3i55 n GLU 94 Ca -0.02 -0.74 0.04 0.00 -0.42 0.00 0.00 57.16 56.02 3i55 n GLU 94 Cb 0.15 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 3i55 n GLU 94 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i55 n ALA 95 N -0.10 2.87 0.00 0.62 0.00 -0.16 -4.97 120.51 118.78 3i55 n ALA 95 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3i55 n ALA 95 Cb 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3i55 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 96 N 0.94 0.60 3.71 0.00 0.00 -1.19 -5.07 105.19 104.19 3i55 n GLY 96 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3i55 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i55 s VAL 97 N -2.00 4.19 0.00 1.61 1.01 -1.05 -4.92 120.40 119.24 3i55 s VAL 97 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3i55 s VAL 97 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3i55 s VAL 97 CO 0.00 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.62 3i55 n GLU 98 N 3.78 2.69 -3.96 2.72 1.02 -1.26 -4.26 120.64 121.37 3i55 n GLU 98 Ca 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 3i55 n GLU 98 Cb 0.47 -0.95 -0.10 0.00 -0.02 0.00 0.00 31.44 30.84 3i55 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3i55 s GLU 99 N -1.88 0.55 0.25 3.49 -1.05 -1.26 -0.17 118.70 118.64 3i55 s GLU 99 Ca 0.00 -0.80 -0.21 0.00 -0.15 0.00 0.00 54.97 53.81 3i55 s GLU 99 Cb 0.00 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.93 3i55 s GLU 99 CO 0.00 -0.13 0.68 0.00 0.95 0.00 0.00 175.26 176.76 3i55 s ALA 100 N -2.63 -1.25 -0.12 -0.84 0.00 0.12 -3.91 121.76 113.12 3i55 s ALA 100 Ca -0.05 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3i55 s ALA 100 Cb -0.01 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3i55 s ALA 100 CO -0.05 -0.97 -0.21 0.08 0.00 0.00 0.00 175.76 174.61 3i55 s VAL 101 N -3.89 2.23 0.05 0.00 1.01 -0.15 -3.93 120.40 115.72 3i55 s VAL 101 Ca 0.09 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 3i55 s VAL 101 Cb -0.05 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 3i55 s VAL 101 CO 0.03 0.55 1.92 -0.22 0.00 0.00 0.00 175.10 177.37 3i55 s LEU 102 N 0.56 4.42 -0.67 3.92 2.96 -1.26 -0.98 118.68 127.62 3i55 s LEU 102 Ca -0.13 2.67 -0.04 0.00 -0.22 0.00 0.00 54.13 56.41 3i55 s LEU 102 Cb -0.17 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.16 3i55 s LEU 102 CO 0.04 -1.04 0.50 -0.62 -1.32 0.00 0.00 176.35 173.91 3i55 s ASP 103 N 3.98 5.45 0.00 3.68 -1.08 -0.98 -4.88 116.67 122.84 3i55 s ASP 103 Ca 0.86 -2.89 0.00 0.00 -0.52 0.00 0.00 52.55 50.00 3i55 s ASP 103 Cb -0.43 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 3i55 s ASP 103 CO 0.40 -0.38 0.68 2.30 0.52 0.00 0.00 175.17 178.69 3i55 n ILE 104 N 3.47 0.00 -2.06 4.11 -5.35 -1.26 -2.29 119.36 115.97 3i55 n ILE 104 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 3i55 n ILE 104 Cb 0.39 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 3i55 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i55 n GLY 105 N 0.22 1.72 0.04 3.28 0.00 -1.26 -1.87 105.19 107.33 3i55 n GLY 105 Ca 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.73 3i55 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i55 n LEU 106 N 0.00 0.12 0.00 0.99 4.77 -1.26 -4.85 117.00 116.77 3i55 n LEU 106 Ca 0.00 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 3i55 n LEU 106 Cb 0.00 -0.01 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3i55 n LEU 106 CO 0.00 0.02 0.21 0.59 -1.33 0.00 0.00 177.39 176.89 3i55 n ASN 107 N -0.71 -1.62 -4.29 -1.43 4.13 -0.78 -5.05 115.26 105.51 3i55 n ASN 107 Ca 0.14 -0.69 -0.30 0.00 1.68 0.00 0.00 54.58 55.41 3i55 n ASN 107 Cb 0.08 -0.38 -0.16 0.00 -1.54 0.00 0.00 39.78 37.79 3i55 n ASN 107 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3i55 s SER 108 N -2.58 2.90 0.00 6.41 0.01 -1.26 -5.01 113.70 114.17 3i55 s SER 108 Ca 0.26 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3i55 s SER 108 Cb -0.03 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.88 3i55 s SER 108 CO 0.20 0.30 0.11 -2.65 0.41 0.00 0.00 173.24 171.62 3i55 n PRO 109 N 2.46 0.13 -1.76 12.44 -0.02 -1.26 -4.87 135.00 142.11 3i55 n PRO 109 Ca -0.16 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 3i55 n PRO 109 Cb 0.51 -1.31 -0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3i55 n PRO 109 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3i55 n THR 110 N 0.77 1.79 -1.98 3.45 -1.04 -1.26 -4.92 114.28 111.09 3i55 n THR 110 Ca 0.00 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.14 3i55 n THR 110 Cb 0.06 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 3i55 n THR 110 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3i55 s PRO 111 N -1.75 4.23 0.00 -2.82 0.02 -1.26 -2.72 135.00 130.69 3i55 s PRO 111 Ca 0.56 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3i55 s PRO 111 Cb -0.49 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 30.73 3i55 s PRO 111 CO 0.61 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 3i55 n GLY 112 N 3.78 0.64 3.74 0.52 0.00 -0.33 -4.90 105.19 108.63 3i55 n GLY 112 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3i55 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i55 s SER 113 N -2.41 4.10 0.39 1.61 0.01 -1.10 -4.61 113.70 111.68 3i55 s SER 113 Ca 0.00 1.87 0.13 0.00 1.31 0.00 0.00 55.95 59.26 3i55 s SER 113 Cb 0.00 -2.51 0.96 0.00 0.21 0.00 0.00 66.02 64.69 3i55 s SER 113 CO 0.00 -2.30 1.88 0.11 0.41 0.00 0.00 173.24 173.33 3i55 h LYS 114 N -1.32 0.52 0.63 12.44 1.57 -1.95 -1.56 116.57 126.90 3i55 h LYS 114 Ca -0.44 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3i55 h LYS 114 Cb 1.24 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3i55 h LYS 114 CO 0.50 0.34 -0.43 -0.39 -0.57 0.00 0.00 179.45 178.90 3i55 h VAL 115 N 0.53 0.13 -0.61 0.50 -1.51 -1.94 1.01 116.25 114.36 3i55 h VAL 115 Ca 0.44 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 66.00 3i55 h VAL 115 Cb 0.89 0.13 -0.04 0.00 -2.13 0.00 0.00 31.29 30.15 3i55 h VAL 115 CO -0.18 0.00 0.41 -0.26 -1.23 0.00 0.00 177.57 176.31 3i55 h PHE 116 N -1.01 0.47 0.00 5.19 0.05 -1.78 0.86 116.94 120.72 3i55 h PHE 116 Ca -0.08 0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.66 3i55 h PHE 116 Cb 0.83 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.62 3i55 h PHE 116 CO -0.14 0.23 -0.31 0.00 -0.18 0.00 0.00 178.31 177.91 3i55 h ALA 117 N 1.69 1.14 0.01 2.45 0.00 -0.26 0.17 119.26 124.45 3i55 h ALA 117 Ca 0.28 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3i55 h ALA 117 Cb 0.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3i55 h ALA 117 CO -0.08 0.39 -0.69 0.82 0.00 0.00 0.00 179.25 179.69 3i55 h ILE 118 N 0.00 1.41 -0.70 0.00 2.04 0.77 -3.09 117.51 117.94 3i55 h ILE 118 Ca -0.00 -2.14 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 3i55 h ILE 118 Cb 0.72 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 39.38 3i55 h ILE 118 CO 0.04 0.63 0.43 -0.61 0.00 0.00 0.00 178.15 178.64 3i55 h GLN 119 N -0.05 0.94 -0.33 2.37 4.15 0.09 -1.99 115.11 120.29 3i55 h GLN 119 Ca -0.09 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3i55 h GLN 119 Cb 1.40 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 3i55 h GLN 119 CO 0.13 0.65 0.00 1.49 -1.93 0.00 0.00 178.83 179.18 3i55 h GLU 120 N 0.96 0.50 -0.37 1.69 4.81 -0.66 -2.44 114.58 119.06 3i55 h GLU 120 Ca 0.25 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 3i55 h GLU 120 Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3i55 h GLU 120 CO -0.05 0.53 -0.38 0.78 -0.73 0.00 0.00 179.01 179.15 3i55 h GLY 121 N 0.81 0.98 1.79 1.92 0.00 -1.28 -2.27 103.07 105.02 3i55 h GLY 121 Ca 0.11 -0.99 -0.10 0.00 0.00 0.00 0.00 47.33 46.35 3i55 h GLY 121 CO 0.01 0.90 -0.37 0.00 0.00 0.00 0.00 176.54 177.08 3i55 h ALA 122 N 0.82 1.17 0.17 3.60 0.00 -1.34 -0.97 119.26 122.72 3i55 h ALA 122 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3i55 h ALA 122 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i55 h ALA 122 CO 0.09 0.55 -0.08 0.82 0.00 0.00 0.00 179.25 180.63 3i55 h ILE 123 N 0.20 0.94 -0.18 0.00 2.04 -1.33 -2.60 117.51 116.59 3i55 h ILE 123 Ca 0.02 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3i55 h ILE 123 Cb 0.75 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3i55 h ILE 123 CO 0.06 0.13 0.17 0.44 0.00 0.00 0.00 178.15 178.95 3i55 h ASP 124 N -0.50 0.00 0.81 1.72 5.19 -1.20 0.17 116.42 122.61 3i55 h ASP 124 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3i55 h ASP 124 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3i55 h ASP 124 CO 0.04 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.16 3i55 n ALA 125 N -2.39 1.81 0.00 3.45 0.00 -0.39 -4.86 120.51 118.13 3i55 n ALA 125 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i55 n ALA 125 Cb 0.30 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3i55 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i55 n GLY 126 N 0.32 1.73 3.77 0.00 0.00 0.60 -4.62 105.19 107.01 3i55 n GLY 126 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3i55 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i55 s LEU 127 N 0.00 3.10 -0.33 0.99 1.02 -1.03 -4.98 118.68 117.45 3i55 s LEU 127 Ca 0.00 1.84 -0.04 0.00 0.02 0.00 0.00 54.13 55.95 3i55 s LEU 127 Cb 0.00 -4.52 0.06 0.00 0.02 0.00 0.00 46.19 41.74 3i55 s LEU 127 CO 0.00 -1.92 0.07 -1.81 0.02 0.00 0.00 176.35 172.72 3i55 s ASP 128 N -3.28 5.11 -0.05 2.29 1.01 0.76 -4.50 116.67 118.01 3i55 s ASP 128 Ca 0.62 -1.34 0.02 0.00 0.71 0.00 0.00 52.55 52.56 3i55 s ASP 128 Cb -0.17 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 41.98 3i55 s ASP 128 CO 0.53 -0.33 -0.11 -0.63 0.21 0.00 0.00 175.17 174.84 3i55 s ILE 129 N 1.29 1.00 -0.16 0.77 1.01 -1.26 -0.70 121.20 123.15 3i55 s ILE 129 Ca -0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 3i55 s ILE 129 Cb -0.20 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 3i55 s ILE 129 CO -0.00 0.32 1.94 -2.84 0.00 0.00 0.00 174.94 174.35 3i55 s PRO 130 N 0.47 3.60 0.27 2.79 0.02 -1.25 -4.94 135.00 135.96 3i55 s PRO 130 Ca -0.09 2.02 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3i55 s PRO 130 Cb -0.13 -4.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.18 3i55 s PRO 130 CO 0.02 -1.55 0.11 -2.39 -0.33 0.00 0.00 177.00 172.86 3i55 n HIS 131 N 9.54 0.02 -3.49 6.54 1.44 -1.26 -4.76 115.22 123.25 3i55 n HIS 131 Ca 0.23 -1.76 -0.27 0.00 -2.01 0.00 0.00 57.72 53.91 3i55 n HIS 131 Cb 0.44 0.02 -0.13 0.00 0.12 0.00 0.00 29.99 30.44 3i55 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 3i55 s ASN 132 N -2.66 3.03 0.11 4.39 3.84 -1.26 -5.06 114.94 117.33 3i55 s ASN 132 Ca 0.15 -1.48 -0.22 0.00 0.21 0.00 0.00 52.86 51.52 3i55 s ASN 132 Cb 0.01 -0.21 -0.05 0.00 -0.55 0.00 0.00 41.25 40.45 3i55 s ASN 132 CO 0.11 -0.39 1.27 0.47 -2.79 0.00 0.00 177.10 175.77 3i55 n ASP 133 N 4.87 -0.76 0.00 -4.21 8.00 -1.26 -0.65 116.55 122.55 3i55 n ASP 133 Ca 0.00 1.44 0.01 0.00 0.71 0.00 0.00 54.79 56.95 3i55 n ASP 133 Cb 0.41 -0.25 0.05 0.00 -0.02 0.00 0.00 41.12 41.31 3i55 n ASP 133 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3i55 n ASP 134 N -4.68 0.00 -0.01 -2.24 5.68 -1.26 -0.34 116.55 113.70 3i55 n ASP 134 Ca 0.01 -0.23 0.09 0.00 -0.50 0.00 0.00 54.79 54.17 3i55 n ASP 134 Cb 0.19 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.02 3i55 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3i55 n VAL 135 N -0.68 0.00 -1.93 2.12 3.14 0.18 -4.95 118.33 116.22 3i55 n VAL 135 Ca 0.01 -0.42 -0.32 0.00 -2.96 0.00 0.00 64.34 60.66 3i55 n VAL 135 Cb 0.01 0.11 0.02 0.00 -1.06 0.00 0.00 33.84 32.91 3i55 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i55 s LEU 136 N -4.25 3.38 0.71 6.55 1.43 0.53 -1.19 118.68 125.84 3i55 s LEU 136 Ca -0.06 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 3i55 s LEU 136 Cb 0.12 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.85 3i55 s LEU 136 CO 0.79 -1.15 1.07 0.00 0.23 0.00 0.00 176.35 177.28 3i55 s ALA 137 N -2.73 2.65 0.28 4.21 0.00 -1.26 -4.52 121.76 120.39 3i55 s ALA 137 Ca 0.60 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3i55 s ALA 137 Cb -0.14 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 3i55 s ALA 137 CO 0.43 -1.27 1.24 0.16 0.00 0.00 0.00 175.76 176.32 3i55 s ASP 138 N -3.88 6.97 0.29 0.00 -4.77 -1.26 -4.84 116.67 109.18 3i55 s ASP 138 Ca 0.58 2.48 0.21 0.00 -3.30 0.00 0.00 52.55 52.52 3i55 s ASP 138 Cb -0.14 -2.63 0.99 0.00 -1.09 0.00 0.00 42.92 40.05 3i55 s ASP 138 CO 0.55 -0.40 1.04 1.87 0.70 0.00 0.00 175.17 178.92 3i55 n TRP 139 N 1.40 0.50 0.09 2.11 -0.00 -1.26 -0.87 117.44 119.40 3i55 n TRP 139 Ca 0.01 0.50 -0.12 0.00 -0.00 0.00 0.00 57.50 57.90 3i55 n TRP 139 Cb 0.43 -0.90 -0.08 0.00 -0.00 0.00 0.00 31.31 30.76 3i55 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3i55 h GLN 140 N 0.00 -0.27 -0.03 5.87 1.08 -2.00 -2.62 115.11 117.14 3i55 h GLN 140 Ca 0.59 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.81 3i55 h GLN 140 Cb 1.86 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.35 3i55 h GLN 140 CO -0.33 0.13 0.17 -0.09 -0.95 0.00 0.00 178.83 177.76 3i55 h ARG 141 N -0.82 0.00 -0.07 1.46 2.43 -1.37 1.18 114.38 117.19 3i55 h ARG 141 Ca -0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3i55 h ARG 141 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3i55 h ARG 141 CO 0.05 0.00 -0.73 1.15 -1.51 0.00 0.00 179.97 178.92 3i55 h THR 142 N 0.00 1.39 0.00 0.20 2.02 -1.34 -3.28 112.91 111.91 3i55 h THR 142 Ca 0.02 -2.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.02 3i55 h THR 142 Cb 0.36 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3i55 h THR 142 CO -0.00 0.65 -0.00 0.03 0.37 0.00 0.00 175.52 176.57 3i55 h ARG 143 N 0.25 -0.00 0.00 6.66 3.08 0.17 -2.71 114.38 121.82 3i55 h ARG 143 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3i55 h ARG 143 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3i55 h ARG 143 CO 0.12 0.64 0.00 0.41 -1.07 0.00 0.00 179.97 180.08 3i55 n GLY 144 N 0.66 0.53 0.31 0.04 0.00 0.11 -4.37 105.19 102.47 3i55 n GLY 144 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 3i55 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 h ALA 145 N 0.00 0.97 -0.61 4.61 0.00 -1.76 0.37 119.26 122.84 3i55 h ALA 145 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3i55 h ALA 145 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3i55 h ALA 145 CO 0.00 0.64 0.41 1.12 0.00 0.00 0.00 179.25 181.41 3i55 h HIS 146 N 0.93 0.72 0.17 0.00 2.07 -1.86 -1.92 115.15 115.27 3i55 h HIS 146 Ca 0.18 0.02 -0.33 0.00 -2.85 0.00 0.00 60.37 57.39 3i55 h HIS 146 Cb 0.46 -0.24 0.01 0.00 2.57 0.00 0.00 27.41 30.20 3i55 h HIS 146 CO 0.03 0.43 -1.59 0.97 -3.07 0.00 0.00 177.93 174.71 3i55 h ILE 147 N 0.76 1.12 -0.21 6.12 2.10 -1.83 -3.28 117.51 122.30 3i55 h ILE 147 Ca 0.24 -2.69 -0.01 0.00 1.08 0.00 0.00 64.86 63.48 3i55 h ILE 147 Cb 0.02 2.83 -0.01 0.00 -1.09 0.00 0.00 36.82 38.57 3i55 h ILE 147 CO -0.06 0.84 0.10 0.00 -1.08 0.00 0.00 178.15 177.95 3i55 h ALA 148 N 0.29 0.27 0.00 0.18 0.00 -0.73 -1.40 119.26 117.88 3i55 h ALA 148 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i55 h ALA 148 Cb 2.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3i55 h ALA 148 CO 0.19 -0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.67 3i55 n GLU 149 N -4.85 0.15 0.05 0.00 1.02 -0.74 -1.62 120.64 114.64 3i55 n GLU 149 Ca -0.03 0.18 -0.21 0.00 -0.02 0.00 0.00 57.16 57.08 3i55 n GLU 149 Cb 0.10 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.87 3i55 n GLU 149 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3i55 h TYR 150 N 0.00 0.60 0.00 -0.32 3.20 -1.32 -3.25 116.97 115.89 3i55 h TYR 150 Ca 0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3i55 h TYR 150 Cb 0.11 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3i55 h TYR 150 CO 0.00 1.67 0.00 -3.47 -1.64 0.00 0.00 178.16 174.72 3i55 n ASP 151 N -3.53 0.71 0.09 -2.11 -0.08 -0.64 -0.40 116.55 110.59 3i55 n ASP 151 Ca -0.26 0.67 0.02 0.00 -1.51 0.00 0.00 54.79 53.71 3i55 n ASP 151 Cb 1.06 -0.82 0.36 0.00 2.34 0.00 0.00 41.12 44.06 3i55 n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3i55 h GLU 152 N 0.00 0.30 -2.88 -0.67 4.57 -1.51 -1.14 114.58 113.24 3i55 h GLU 152 Ca 0.00 -0.07 -0.72 0.00 -1.18 0.00 0.00 59.36 57.39 3i55 h GLU 152 Cb 0.39 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 3i55 h GLU 152 CO 0.00 0.42 2.88 1.04 -1.18 0.00 0.00 179.01 182.18 3i55 n GLN 153 N -4.26 4.15 0.00 1.92 6.02 0.46 -4.84 117.38 120.83 3i55 n GLN 153 Ca -0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 3i55 n GLN 153 Cb 0.27 -2.74 0.00 0.00 1.02 0.00 0.00 30.24 28.79 3i55 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i55 n LEU 154 N 2.70 0.00 0.00 1.08 7.94 -0.43 -4.79 117.00 123.50 3i55 n LEU 154 Ca 0.65 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 3i55 n LEU 154 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3i55 n LEU 154 CO 0.76 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.25 3i55 n GLU 155 N 0.00 0.00 -3.68 1.96 2.13 -1.26 -4.88 120.64 114.91 3i55 n GLU 155 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 3i55 n GLU 155 Cb 0.00 -0.25 -0.10 0.00 0.27 0.00 0.00 31.44 31.36 3i55 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3i55 s GLU 156 N -0.19 0.40 0.23 5.31 2.02 -1.26 -5.14 118.70 120.06 3i55 s GLU 156 Ca 0.00 0.87 -0.31 0.00 0.02 0.00 0.00 54.97 55.56 3i55 s GLU 156 Cb 0.00 0.07 -0.15 0.00 0.10 0.00 0.00 34.13 34.15 3i55 s GLU 156 CO 0.00 -0.18 1.18 -2.30 0.02 0.00 0.00 175.26 173.98 3i55 n PRO 157 N 4.53 1.44 0.30 0.39 -0.02 -1.26 -4.84 135.00 135.54 3i55 n PRO 157 Ca -0.20 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 61.97 3i55 n PRO 157 Cb 0.54 -2.01 0.91 0.00 -0.02 0.00 0.00 33.50 32.93 3i55 n PRO 157 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i55 h LEU 158 N 3.13 0.00 -9.76 2.45 5.85 -1.92 -3.43 115.31 111.63 3i55 h LEU 158 Ca -0.43 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.69 3i55 h LEU 158 Cb 1.33 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 3i55 h LEU 158 CO 0.68 0.04 -0.56 -0.31 -0.34 0.00 0.00 178.44 177.96 3i55 s TYR 159 N -4.11 2.56 0.00 1.25 2.02 -1.26 -5.10 117.35 112.70 3i55 s TYR 159 Ca -0.03 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 3i55 s TYR 159 Cb 0.12 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3i55 s TYR 159 CO 0.51 0.34 0.00 0.45 -1.57 0.00 0.00 175.55 175.28 3i55 n SER 160 N -1.08 0.00 -4.74 2.29 2.88 -1.26 -4.93 113.62 106.78 3i55 n SER 160 Ca -0.03 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.13 3i55 n SER 160 Cb 0.66 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.18 3i55 n SER 160 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3i55 s GLY 161 N -0.79 2.87 -0.46 0.46 0.00 -1.26 -4.89 107.32 103.25 3i55 s GLY 161 Ca 0.00 1.24 -0.26 0.00 0.00 0.00 0.00 44.72 45.70 3i55 s GLY 161 CO 0.00 1.69 0.94 -0.35 0.00 0.00 0.00 173.10 175.39 3i55 s ASP 162 N -1.29 6.52 -0.21 1.64 -1.08 -1.26 -4.71 116.67 116.28 3i55 s ASP 162 Ca 0.80 0.18 0.01 0.00 -0.52 0.00 0.00 52.55 53.02 3i55 s ASP 162 Cb -0.38 -2.46 -0.20 0.00 -1.46 0.00 0.00 42.92 38.42 3i55 s ASP 162 CO 0.41 -1.06 -0.03 0.33 0.52 0.00 0.00 175.17 175.35 3i55 n PHE 163 N 7.20 0.37 0.00 -5.34 7.35 -1.26 -5.05 117.46 120.73 3i55 n PHE 163 Ca 0.07 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 3i55 n PHE 163 Cb 0.49 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.27 3i55 n PHE 163 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3i55 n ASP 164 N -3.28 0.00 0.05 -2.13 5.68 -1.26 -4.99 116.55 110.62 3i55 n ASP 164 Ca -0.41 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 53.83 3i55 n ASP 164 Cb 1.02 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.96 3i55 n ASP 164 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i55 h ALA 165 N 0.00 -0.22 0.00 2.12 0.00 -1.97 -3.35 119.26 115.84 3i55 h ALA 165 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i55 h ALA 165 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i55 h ALA 165 CO 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3i55 n ALA 166 N -2.72 2.31 -1.34 0.00 0.00 -1.26 -4.60 120.51 112.90 3i55 n ALA 166 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3i55 n ALA 166 Cb 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3i55 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i55 n ASP 167 N -1.40 -7.28 -3.93 0.00 8.00 -1.26 -4.84 116.55 105.85 3i55 n ASP 167 Ca 0.10 1.44 -0.30 0.00 0.71 0.00 0.00 54.79 56.74 3i55 n ASP 167 Cb 0.27 -4.11 -0.14 0.00 -0.02 0.00 0.00 41.12 37.13 3i55 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i55 s LEU 168 N -4.52 4.31 0.38 0.64 1.43 -1.26 -4.88 118.68 114.79 3i55 s LEU 168 Ca 0.00 -3.14 0.27 0.00 -1.03 0.00 0.00 54.13 50.23 3i55 s LEU 168 Cb 0.00 -1.61 1.31 0.00 0.03 0.00 0.00 46.19 45.92 3i55 s LEU 168 CO 0.00 -0.21 1.82 -0.65 0.23 0.00 0.00 176.35 177.54 3i55 h PRO 169 N 6.32 0.00 -0.86 1.29 0.11 -1.88 0.35 132.00 137.33 3i55 h PRO 169 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3i55 h PRO 169 Cb 0.87 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 3i55 h PRO 169 CO 0.68 0.00 0.50 0.93 -0.21 0.00 0.00 178.00 179.90 3i55 h GLU 170 N 0.00 1.18 -1.02 1.05 3.07 -1.90 0.92 114.58 117.87 3i55 h GLU 170 Ca 0.00 -0.12 0.25 0.00 -0.50 0.00 0.00 59.36 58.99 3i55 h GLU 170 Cb 0.20 -0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 27.78 3i55 h GLU 170 CO 0.00 0.84 0.65 1.25 -1.40 0.00 0.00 179.01 180.36 3i55 h HIS 171 N 1.18 0.69 -0.04 4.33 2.76 -0.71 0.86 115.15 124.23 3i55 h HIS 171 Ca 0.30 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.53 3i55 h HIS 171 Cb -0.01 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 3i55 h HIS 171 CO 0.00 0.09 -0.18 0.35 -1.30 0.00 0.00 177.93 176.89 3i55 h PHE 172 N 0.44 -0.47 -0.60 5.26 3.57 -0.87 0.25 116.94 124.52 3i55 h PHE 172 Ca 0.58 0.02 0.02 0.00 3.53 0.00 0.00 57.97 62.12 3i55 h PHE 172 Cb 1.40 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 3i55 h PHE 172 CO -0.00 -0.26 0.38 -0.44 -2.23 0.00 0.00 178.31 175.76 3i55 h ASP 173 N -0.27 0.65 -0.47 0.41 3.45 0.70 0.35 116.42 121.23 3i55 h ASP 173 Ca 0.07 -0.01 0.07 0.00 0.43 0.00 0.00 57.03 57.59 3i55 h ASP 173 Cb 0.36 -0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 38.93 3i55 h ASP 173 CO -0.20 0.46 0.13 -0.33 -1.57 0.00 0.00 179.24 177.73 3i55 h GLU 174 N 0.77 0.28 0.22 3.56 5.08 0.46 0.32 114.58 125.27 3i55 h GLU 174 Ca 0.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3i55 h GLU 174 Cb -0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3i55 h GLU 174 CO -0.07 0.18 -0.11 1.25 -1.00 0.00 0.00 179.01 179.26 3i55 h LEU 175 N 0.29 -0.25 -0.61 1.33 5.85 -0.12 -2.15 115.31 119.66 3i55 h LEU 175 Ca 0.23 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 58.78 3i55 h LEU 175 Cb 0.27 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.25 3i55 h LEU 175 CO -0.27 0.22 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.66 3i55 h ARG 176 N -0.81 -0.13 -0.74 1.25 2.43 -0.82 0.16 114.38 115.72 3i55 h ARG 176 Ca -0.03 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 3i55 h ARG 176 Cb 0.51 0.03 -0.14 0.00 -0.42 0.00 0.00 29.97 29.96 3i55 h ARG 176 CO 0.05 -0.09 -0.28 1.49 -1.51 0.00 0.00 179.97 179.63 3i55 h GLU 177 N -0.14 -0.06 0.00 0.20 4.57 -0.33 0.16 114.58 118.98 3i55 h GLU 177 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3i55 h GLU 177 Cb 0.54 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3i55 h GLU 177 CO -0.68 -0.04 0.00 1.15 -1.18 0.00 0.00 179.01 178.25 3i55 h THR 178 N -0.06 0.00 0.11 0.32 2.02 -0.01 -2.68 112.91 112.60 3i55 h THR 178 Ca 0.32 -0.05 -0.29 0.00 0.77 0.00 0.00 66.41 67.16 3i55 h THR 178 Cb 0.57 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3i55 h THR 178 CO -0.78 0.00 -1.41 -0.07 0.37 0.00 0.00 175.52 173.63 3i55 h LEU 179 N 0.00 0.37 0.00 2.58 3.38 -0.11 -3.24 115.31 118.29 3i55 h LEU 179 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3i55 h LEU 179 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3i55 h LEU 179 CO 0.00 1.38 0.00 0.18 0.09 0.00 0.00 178.44 180.09 3i55 n LEU 180 N -3.46 0.00 -4.70 1.67 4.32 -1.01 -4.71 117.00 109.11 3i55 n LEU 180 Ca -0.13 0.12 -0.42 0.00 -0.02 0.00 0.00 56.01 55.56 3i55 n LEU 180 Cb 1.03 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.68 3i55 n LEU 180 CO 0.51 -0.06 0.95 -0.62 -1.22 0.00 0.00 177.39 176.95 3i55 s ASP 181 N -2.25 7.04 0.22 -1.43 3.68 -1.22 -4.94 116.67 117.76 3i55 s ASP 181 Ca 0.20 1.91 -0.08 0.00 2.13 0.00 0.00 52.55 56.71 3i55 s ASP 181 Cb 0.11 -2.57 0.24 0.00 -1.45 0.00 0.00 42.92 39.25 3i55 s ASP 181 CO 0.21 -0.56 1.86 1.23 0.13 0.00 0.00 175.17 178.03 3i55 h GLY 182 N 7.76 1.14 0.00 2.66 0.00 -1.91 -3.28 103.07 109.43 3i55 h GLY 182 Ca -0.37 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3i55 h GLY 182 CO 0.86 0.30 0.00 1.22 0.00 0.00 0.00 176.54 178.92 3i55 n ASP 183 N -4.62 0.00 0.00 0.19 8.00 -1.26 -4.88 116.55 113.97 3i55 n ASP 183 Ca 0.09 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.59 3i55 n ASP 183 Cb 0.11 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3i55 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i55 n ILE 184 N -2.24 0.00 -2.22 0.53 3.06 -1.24 -4.70 119.36 112.54 3i55 n ILE 184 Ca 0.00 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.83 3i55 n ILE 184 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 3i55 n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3i55 s GLU 185 N 0.00 3.26 0.00 9.51 2.02 -1.26 -5.10 118.70 127.13 3i55 s GLU 185 Ca 0.00 0.84 0.28 0.00 0.02 0.00 0.00 54.97 56.11 3i55 s GLU 185 Cb 0.00 -4.16 1.69 0.00 0.10 0.00 0.00 34.13 31.75 3i55 s GLU 185 CO 0.00 -1.96 2.03 1.28 0.02 0.00 0.00 175.26 176.62