#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i56 h THR 2 N 0.00 0.91 -0.29 0.00 2.02 -2.02 -3.49 112.91 110.04 3i56 h THR 2 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3i56 h THR 2 Cb 0.00 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3i56 h THR 2 CO 0.00 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.67 3i56 n GLY 3 N -0.08 3.58 0.08 2.16 0.00 -1.26 -5.06 105.19 104.61 3i56 n GLY 3 Ca -0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 3i56 n GLY 3 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i56 h PRO 4 N 0.00 0.04 0.00 1.61 0.11 -2.08 -3.31 132.00 128.37 3i56 h PRO 4 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3i56 h PRO 4 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3i56 h PRO 4 CO 0.00 0.94 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 3i56 h ARG 5 N 0.02 0.00 -6.84 1.05 3.08 -2.03 -3.46 114.38 106.20 3i56 h ARG 5 Ca -0.02 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.49 3i56 h ARG 5 Cb 1.63 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.77 3i56 h ARG 5 CO 0.13 0.00 0.85 0.98 -1.07 0.00 0.00 179.97 180.85 3i56 n TYR 6 N -2.72 2.90 -3.83 3.04 9.36 -1.25 -4.99 117.16 119.67 3i56 n TYR 6 Ca 0.04 0.32 -0.36 0.00 3.32 0.00 0.00 57.90 61.21 3i56 n TYR 6 Cb 0.42 -2.58 -0.13 0.00 -0.63 0.00 0.00 39.34 36.42 3i56 n TYR 6 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3i56 s LYS 7 N -1.03 2.70 -0.16 2.98 2.47 -1.26 -4.81 119.74 120.62 3i56 s LYS 7 Ca 0.60 -1.10 -0.22 0.00 -1.56 0.00 0.00 55.97 53.69 3i56 s LYS 7 Cb -0.49 -3.29 -0.03 0.00 -1.46 0.00 0.00 37.83 32.57 3i56 s LYS 7 CO 0.54 -0.56 0.68 0.08 0.16 0.00 0.00 175.35 176.24 3i56 s VAL 8 N 1.37 5.00 1.03 4.02 1.01 -1.26 -5.03 120.40 126.54 3i56 s VAL 8 Ca -0.02 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 3i56 s VAL 8 Cb -0.19 -4.00 0.21 0.00 0.00 0.00 0.00 36.38 32.40 3i56 s VAL 8 CO 0.00 0.13 1.10 -2.84 0.00 0.00 0.00 175.10 173.49 3i56 s PRO 9 N 1.70 0.13 0.59 2.72 0.02 -1.26 -4.95 135.00 133.95 3i56 s PRO 9 Ca 0.32 1.27 -0.20 0.00 0.02 0.00 0.00 61.00 62.41 3i56 s PRO 9 Cb -0.16 -1.64 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 3i56 s PRO 9 CO 0.12 -3.15 1.33 -1.64 -0.33 0.00 0.00 177.00 173.34 3i56 s MET 10 N -4.55 2.90 0.22 5.54 -1.94 -1.26 -4.69 119.30 115.52 3i56 s MET 10 Ca 0.68 2.16 -0.14 0.00 -1.71 0.00 0.00 55.69 56.68 3i56 s MET 10 Cb -0.24 -2.09 0.26 0.00 2.01 0.00 0.00 34.83 34.77 3i56 s MET 10 CO 0.61 -1.35 1.60 -0.09 -0.01 0.00 0.00 175.02 175.78 3i56 h ARG 11 N 1.09 -0.03 0.00 2.03 2.43 -2.00 0.60 114.38 118.49 3i56 h ARG 11 Ca -0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i56 h ARG 11 Cb 1.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3i56 h ARG 11 CO 0.56 -0.02 0.00 0.54 -1.51 0.00 0.00 179.97 179.53 3i56 n ARG 12 N -5.47 0.77 -0.08 0.20 1.74 -1.26 -1.92 116.66 110.64 3i56 n ARG 12 Ca 0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.08 3i56 n ARG 12 Cb 0.37 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 3i56 n ARG 12 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i56 n ARG 13 N -0.74 1.33 -0.14 5.56 3.00 0.13 -1.33 116.66 124.48 3i56 n ARG 13 Ca 0.09 0.02 -0.11 0.00 -0.00 0.00 0.00 57.85 57.85 3i56 n ARG 13 Cb 0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 31.11 3i56 n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i56 h ARG 14 N 0.00 0.77 0.00 -0.14 3.08 -0.75 -2.39 114.38 114.95 3i56 h ARG 14 Ca -0.41 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.36 3i56 h ARG 14 Cb 1.85 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.85 3i56 h ARG 14 CO 0.00 0.89 0.00 0.93 -1.07 0.00 0.00 179.97 180.72 3i56 h GLU 15 N 0.59 0.00 -5.71 0.04 5.08 -1.58 -3.47 114.58 109.53 3i56 h GLU 15 Ca 0.10 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.12 3i56 h GLU 15 Cb 0.60 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.00 3i56 h GLU 15 CO 0.04 0.00 -0.77 0.00 -1.00 0.00 0.00 179.01 177.28 3i56 n ALA 16 N -1.88 -1.96 -0.01 3.43 0.00 -0.90 -4.94 120.51 114.25 3i56 n ALA 16 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i56 n ALA 16 Cb 0.24 -2.60 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 3i56 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i56 n ARG 17 N -4.21 1.81 -4.80 0.00 1.74 -0.69 -5.03 116.66 105.48 3i56 n ARG 17 Ca -0.27 -0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.52 3i56 n ARG 17 Cb 0.66 -1.11 -0.17 0.00 -1.02 0.00 0.00 32.46 30.82 3i56 n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i56 s THR 18 N -2.21 1.43 -0.82 0.55 2.01 -0.44 -4.76 115.64 111.40 3i56 s THR 18 Ca -0.02 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 3i56 s THR 18 Cb 0.02 -1.27 0.18 0.00 0.01 0.00 0.00 72.50 71.45 3i56 s THR 18 CO 0.19 0.42 0.84 -0.62 -0.69 0.00 0.00 174.62 174.76 3i56 s ASP 19 N 0.43 6.65 0.60 3.53 -1.08 -1.26 -4.61 116.67 120.93 3i56 s ASP 19 Ca -0.13 -2.38 0.34 0.00 -0.52 0.00 0.00 52.55 49.86 3i56 s ASP 19 Cb -0.15 -2.27 1.91 0.00 -1.46 0.00 0.00 42.92 40.95 3i56 s ASP 19 CO 0.05 -0.76 2.24 1.88 0.52 0.00 0.00 175.17 179.10 3i56 h TYR 20 N 8.22 0.00 0.00 -5.34 -1.99 -1.97 -0.08 116.97 115.81 3i56 h TYR 20 Ca 0.07 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.54 3i56 h TYR 20 Cb 1.04 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.79 3i56 h TYR 20 CO 1.04 0.03 -1.01 0.45 -0.00 0.00 0.00 178.16 178.66 3i56 h HIS 21 N 0.00 0.88 0.00 4.88 3.86 -2.01 -2.90 115.15 119.86 3i56 h HIS 21 Ca -0.00 -0.48 -0.18 0.00 -1.16 0.00 0.00 60.37 58.55 3i56 h HIS 21 Cb 0.10 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 3i56 h HIS 21 CO 0.00 1.31 -0.85 0.37 0.86 0.00 0.00 177.93 179.63 3i56 h GLN 22 N 0.33 0.00 -0.60 2.45 4.15 -1.85 -3.24 115.11 116.35 3i56 h GLN 22 Ca -0.11 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 3i56 h GLN 22 Cb 1.66 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.33 3i56 h GLN 22 CO 0.19 0.85 0.11 -0.09 -1.93 0.00 0.00 178.83 177.96 3i56 h ARG 23 N 0.00 0.99 -0.92 1.69 2.43 -1.04 -1.22 114.38 116.31 3i56 h ARG 23 Ca -0.01 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3i56 h ARG 23 Cb 1.54 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.93 3i56 h ARG 23 CO 0.11 0.93 0.54 1.25 -1.51 0.00 0.00 179.97 181.29 3i56 h LEU 24 N 0.90 1.11 -0.81 3.80 5.85 -1.54 0.21 115.31 124.84 3i56 h LEU 24 Ca 0.18 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3i56 h LEU 24 Cb 0.41 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3i56 h LEU 24 CO 0.01 0.86 -0.55 0.03 -0.34 0.00 0.00 178.44 178.45 3i56 h ARG 25 N 1.27 0.12 -0.12 1.25 3.08 -1.53 -2.66 114.38 115.79 3i56 h ARG 25 Ca 0.33 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 3i56 h ARG 25 Cb -0.04 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3i56 h ARG 25 CO -0.06 0.64 -0.71 -0.07 -1.07 0.00 0.00 179.97 178.71 3i56 h LEU 26 N 0.09 0.64 -0.16 3.04 -0.00 -0.34 -3.12 115.31 115.46 3i56 h LEU 26 Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 3i56 h LEU 26 Cb 1.00 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 3i56 h LEU 26 CO 0.08 1.15 0.00 0.18 -0.00 0.00 0.00 178.44 179.85 3i56 n LEU 27 N -3.89 0.78 0.28 1.67 4.77 -0.02 -3.64 117.00 116.96 3i56 n LEU 27 Ca -0.05 0.60 0.18 0.00 -0.03 0.00 0.00 56.01 56.71 3i56 n LEU 27 Cb 0.70 -0.38 0.85 0.00 -2.33 0.00 0.00 43.42 42.26 3i56 n LEU 27 CO 0.49 -0.27 1.04 0.11 -1.33 0.00 0.00 177.39 177.43 3i56 h LYS 28 N 0.00 0.00 -0.05 3.23 1.57 -1.41 -2.92 116.57 117.00 3i56 h LYS 28 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 3i56 h LYS 28 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3i56 h LYS 28 CO 0.00 0.00 -0.77 0.66 -0.57 0.00 0.00 179.45 178.77 3i56 h SER 29 N 0.00 0.43 0.00 0.86 4.64 -1.75 -3.47 113.55 114.26 3i56 h SER 29 Ca 0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3i56 h SER 29 Cb 0.31 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3i56 h SER 29 CO 0.00 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 3i56 n GLY 30 N 0.64 2.96 3.82 -0.77 0.00 -1.10 -5.04 105.19 105.70 3i56 n GLY 30 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3i56 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i56 s LYS 31 N -0.63 3.72 0.40 1.61 1.02 -1.26 -5.03 119.74 119.57 3i56 s LYS 31 Ca 0.00 1.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.88 3i56 s LYS 31 Cb 0.00 -2.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 3i56 s LYS 31 CO 0.00 -0.47 1.19 -2.14 -0.92 0.00 0.00 175.35 173.01 3i56 s PRO 32 N -3.81 4.06 0.11 -1.68 0.02 -1.26 -4.74 135.00 127.71 3i56 s PRO 32 Ca 0.63 1.90 -0.28 0.00 0.02 0.00 0.00 61.00 63.27 3i56 s PRO 32 Cb -0.13 -2.71 -0.06 0.00 0.02 0.00 0.00 34.50 31.61 3i56 s PRO 32 CO 0.29 -0.33 0.87 1.03 -0.33 0.00 0.00 177.00 178.53 3i56 s ARG 33 N -2.25 4.63 -0.79 5.54 0.52 0.79 -1.49 118.95 125.89 3i56 s ARG 33 Ca 0.56 1.28 -0.15 0.00 -0.52 0.00 0.00 55.73 56.91 3i56 s ARG 33 Cb -0.32 -3.35 0.19 0.00 0.52 0.00 0.00 34.95 31.99 3i56 s ARG 33 CO 0.41 0.31 0.77 -1.17 0.02 0.00 0.00 175.30 175.65 3i56 s LEU 34 N -0.29 6.43 -0.33 2.53 2.96 0.42 -0.07 118.68 130.33 3i56 s LEU 34 Ca 0.42 -2.45 -0.29 0.00 -0.22 0.00 0.00 54.13 51.60 3i56 s LEU 34 Cb -0.23 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 3i56 s LEU 34 CO 0.27 -0.69 1.49 -0.69 -1.32 0.00 0.00 176.35 175.41 3i56 s VAL 35 N 0.76 3.85 -0.44 1.68 1.01 0.10 -1.59 120.40 125.76 3i56 s VAL 35 Ca 0.17 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.00 3i56 s VAL 35 Cb -0.13 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 32.37 3i56 s VAL 35 CO -0.07 -0.54 0.28 0.00 0.00 0.00 0.00 175.10 174.78 3i56 s ALA 36 N 5.36 3.29 0.15 5.51 0.00 -0.30 -0.43 121.76 135.34 3i56 s ALA 36 Ca 0.65 -2.52 0.07 0.00 0.00 0.00 0.00 51.96 50.16 3i56 s ALA 36 Cb -0.18 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3i56 s ALA 36 CO 0.30 -1.85 -0.02 1.03 0.00 0.00 0.00 175.76 175.21 3i56 s ARG 37 N 1.27 2.36 -0.03 0.00 1.81 -0.35 -4.63 118.95 119.39 3i56 s ARG 37 Ca 0.07 -1.06 -0.01 0.00 -1.72 0.00 0.00 55.73 53.01 3i56 s ARG 37 Cb -0.25 -2.37 0.03 0.00 -0.45 0.00 0.00 34.95 31.92 3i56 s ARG 37 CO -0.02 0.48 0.07 -1.59 -0.68 0.00 0.00 175.30 173.55 3i56 s LYS 38 N -2.72 0.01 0.49 3.54 -2.85 -1.26 -0.67 119.74 116.28 3i56 s LYS 38 Ca 0.26 0.23 0.06 0.00 -1.00 0.00 0.00 55.97 55.52 3i56 s LYS 38 Cb -0.10 -0.21 0.06 0.00 -2.06 0.00 0.00 37.83 35.52 3i56 s LYS 38 CO 0.18 -0.16 0.48 0.45 0.10 0.00 0.00 175.35 176.40 3i56 n SER 39 N 4.10 2.31 -0.01 0.03 2.88 0.61 -4.98 113.62 118.57 3i56 n SER 39 Ca -0.26 -2.56 -0.13 0.00 -1.33 0.00 0.00 58.87 54.59 3i56 n SER 39 Cb 0.51 -0.15 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 3i56 n SER 39 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3i56 h ASN 40 N 0.41 -0.01 0.57 -3.46 2.35 -2.00 -3.33 115.58 110.11 3i56 h ASN 40 Ca -0.28 -0.43 -0.09 0.00 -0.55 0.00 0.00 56.30 54.94 3i56 h ASN 40 Cb 1.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 3i56 h ASN 40 CO 0.43 0.43 -1.51 0.29 -1.65 0.00 0.00 177.43 175.42 3i56 n LYS 41 N -4.88 0.63 -4.59 0.81 5.02 -1.26 -4.60 118.16 109.29 3i56 n LYS 41 Ca -0.08 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 3i56 n LYS 41 Cb 0.23 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 3i56 n LYS 41 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3i56 s HIS 42 N -3.17 1.83 -0.08 2.13 3.76 -1.25 -1.81 115.29 116.70 3i56 s HIS 42 Ca -0.04 -1.16 -0.04 0.00 -0.15 0.00 0.00 55.06 53.67 3i56 s HIS 42 Cb 0.10 -1.31 0.04 0.00 1.11 0.00 0.00 32.58 32.52 3i56 s HIS 42 CO 0.83 -0.11 0.18 0.08 -0.85 0.00 0.00 174.74 174.87 3i56 s VAL 43 N -3.10 -0.08 0.07 -0.90 1.01 -1.25 -0.28 120.40 115.87 3i56 s VAL 43 Ca 0.19 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.43 3i56 s VAL 43 Cb 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 3i56 s VAL 43 CO 0.11 0.08 -0.14 -0.60 0.00 0.00 0.00 175.10 174.55 3i56 s ARG 44 N 1.36 2.11 -0.22 2.72 6.06 0.16 -1.44 118.95 129.71 3i56 s ARG 44 Ca -0.08 -0.99 -0.04 0.00 -2.50 0.00 0.00 55.73 52.13 3i56 s ARG 44 Cb -0.11 -2.26 0.11 0.00 0.06 0.00 0.00 34.95 32.74 3i56 s ARG 44 CO -0.07 0.53 0.28 0.00 -2.50 0.00 0.00 175.30 173.54 3i56 s ALA 45 N -1.06 -0.58 0.21 6.12 0.00 -0.54 -1.21 121.76 124.71 3i56 s ALA 45 Ca 0.18 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.75 3i56 s ALA 45 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 3i56 s ALA 45 CO 0.09 -1.21 -0.13 -0.65 0.00 0.00 0.00 175.76 173.86 3i56 s GLN 46 N 2.41 1.93 -0.33 0.00 -0.21 0.42 -1.40 119.66 122.48 3i56 s GLN 46 Ca 0.09 -1.42 -0.01 0.00 0.02 0.00 0.00 55.36 54.04 3i56 s GLN 46 Cb -0.16 -2.04 0.07 0.00 1.00 0.00 0.00 33.01 31.89 3i56 s GLN 46 CO -0.13 0.40 0.04 -0.51 -2.12 0.00 0.00 175.29 172.97 3i56 s LEU 47 N -3.02 4.28 -0.15 2.90 2.01 0.53 0.02 118.68 125.25 3i56 s LEU 47 Ca 0.26 -1.58 -0.01 0.00 0.01 0.00 0.00 54.13 52.81 3i56 s LEU 47 Cb -0.08 -1.71 -0.01 0.00 0.01 0.00 0.00 46.19 44.40 3i56 s LEU 47 CO 0.15 -0.34 -0.12 -0.69 1.01 0.00 0.00 176.35 176.36 3i56 s VAL 48 N 1.16 3.07 0.29 -1.59 1.01 0.91 -1.80 120.40 123.45 3i56 s VAL 48 Ca -0.00 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3i56 s VAL 48 Cb -0.20 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3i56 s VAL 48 CO -0.03 0.51 0.12 0.28 0.00 0.00 0.00 175.10 175.98 3i56 s THR 49 N 0.55 3.56 0.00 3.92 -1.32 0.01 -0.15 115.64 122.21 3i56 s THR 49 Ca -0.08 -1.67 -0.28 0.00 -1.21 0.00 0.00 61.69 58.45 3i56 s THR 49 Cb -0.16 -3.05 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 3i56 s THR 49 CO 0.04 -0.29 0.87 -0.22 -2.21 0.00 0.00 174.62 172.81 3i56 s LEU 50 N -3.80 4.39 0.40 9.08 2.96 -1.26 -1.12 118.68 129.32 3i56 s LEU 50 Ca 0.35 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 55.83 3i56 s LEU 50 Cb -0.05 -3.40 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 3i56 s LEU 50 CO 0.23 -0.16 0.03 -0.83 -1.32 0.00 0.00 176.35 174.30 3i56 s GLY 51 N 0.66 2.45 0.32 7.98 0.00 -0.89 -4.84 107.32 113.00 3i56 s GLY 51 Ca 0.46 -1.90 0.07 0.00 0.00 0.00 0.00 44.72 43.35 3i56 s GLY 51 CO 0.25 -2.00 1.76 -2.55 0.00 0.00 0.00 173.10 170.56 3i56 h PRO 52 N 1.83 0.26 -0.11 2.90 0.11 -1.97 -3.26 132.00 131.76 3i56 h PRO 52 Ca -0.42 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i56 h PRO 52 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i56 h PRO 52 CO 0.75 0.55 0.00 0.09 -0.21 0.00 0.00 178.00 179.18 3i56 n ASN 53 N -4.10 2.13 0.00 -2.05 3.02 -1.26 -5.09 115.26 107.91 3i56 n ASN 53 Ca -0.01 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3i56 n ASN 53 Cb 0.41 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 3i56 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i56 n GLY 54 N -0.02 -0.36 3.79 7.41 0.00 -1.23 -5.13 105.19 109.65 3i56 n GLY 54 Ca 0.04 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 3i56 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i56 s ASP 55 N -2.71 6.27 -0.10 1.61 1.01 -1.26 -2.08 116.67 119.40 3i56 s ASP 55 Ca 0.00 1.97 0.03 0.00 0.71 0.00 0.00 52.55 55.26 3i56 s ASP 55 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 3i56 s ASP 55 CO 0.00 -0.83 -0.20 -1.81 0.21 0.00 0.00 175.17 172.54 3i56 s ASP 56 N -1.93 3.43 -0.26 0.27 1.01 -0.28 -4.83 116.67 114.08 3i56 s ASP 56 Ca 0.68 -0.47 -0.08 0.00 0.71 0.00 0.00 52.55 53.39 3i56 s ASP 56 Cb -0.18 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 3i56 s ASP 56 CO 0.21 0.18 0.10 -0.89 0.21 0.00 0.00 175.17 174.98 3i56 s THR 57 N 0.26 4.53 -0.12 -1.27 2.01 -1.26 -0.81 115.64 118.98 3i56 s THR 57 Ca -0.14 -0.11 0.15 0.00 0.31 0.00 0.00 61.69 61.89 3i56 s THR 57 Cb -0.17 -3.14 -0.24 0.00 0.01 0.00 0.00 72.50 68.97 3i56 s THR 57 CO 0.07 0.31 0.36 0.18 -0.69 0.00 0.00 174.62 174.85 3i56 n LEU 58 N 4.95 0.51 -3.70 4.42 4.32 -0.75 -4.97 117.00 121.79 3i56 n LEU 58 Ca -0.16 0.20 -0.12 0.00 -0.02 0.00 0.00 56.01 55.92 3i56 n LEU 58 Cb 0.51 0.30 -0.09 0.00 -1.62 0.00 0.00 43.42 42.52 3i56 n LEU 58 CO 0.31 0.46 0.15 0.00 -1.22 0.00 0.00 177.39 177.09 3i56 s ALA 59 N -2.54 -1.23 0.21 -1.18 0.00 -1.25 -4.94 121.76 110.84 3i56 s ALA 59 Ca -0.08 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 3i56 s ALA 59 Cb 0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3i56 s ALA 59 CO 0.82 -0.25 0.26 -1.54 0.00 0.00 0.00 175.76 175.04 3i56 s SER 60 N 0.71 0.07 -0.24 0.00 1.04 -1.26 -0.35 113.70 113.66 3i56 s SER 60 Ca -0.04 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.05 3i56 s SER 60 Cb -0.05 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.60 3i56 s SER 60 CO -0.05 -0.95 0.59 0.00 0.98 0.00 0.00 173.24 173.81 3i56 s ALA 61 N -4.10 -1.60 0.07 5.32 0.00 -0.50 -4.67 121.76 116.28 3i56 s ALA 61 Ca 0.32 2.10 0.07 0.00 0.00 0.00 0.00 51.96 54.45 3i56 s ALA 61 Cb 0.04 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3i56 s ALA 61 CO 0.10 -0.40 -0.13 -1.58 0.00 0.00 0.00 175.76 173.75 3i56 s HIS 62 N 1.71 2.69 -1.09 0.00 2.46 -1.26 -1.46 115.29 118.33 3i56 s HIS 62 Ca -0.09 -0.17 0.10 0.00 0.47 0.00 0.00 55.06 55.37 3i56 s HIS 62 Cb -0.07 -1.46 0.45 0.00 -0.13 0.00 0.00 32.58 31.37 3i56 s HIS 62 CO -0.17 0.36 1.30 -1.13 -2.47 0.00 0.00 174.74 172.63 3i56 n SER 63 N 1.10 0.00 0.09 9.88 3.41 -0.52 -2.35 113.62 125.22 3i56 n SER 63 Ca -0.15 0.42 -0.15 0.00 -0.26 0.00 0.00 58.87 58.74 3i56 n SER 63 Cb 0.52 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 3i56 n SER 63 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i56 h SER 64 N 0.00 0.35 -0.17 4.04 4.64 -1.93 -3.20 113.55 117.27 3i56 h SER 64 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3i56 h SER 64 Cb 0.16 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3i56 h SER 64 CO 0.00 1.32 0.00 -0.90 -0.87 0.00 0.00 176.83 176.38 3i56 n ASP 65 N -3.47 2.12 0.02 4.97 5.75 -0.99 -3.29 116.55 121.66 3i56 n ASP 65 Ca -0.09 -2.21 -0.15 0.00 -0.01 0.00 0.00 54.79 52.32 3i56 n ASP 65 Cb 1.02 -0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 40.50 3i56 n ASP 65 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3i56 h LEU 66 N 1.17 0.26 -0.97 -2.12 5.85 -1.64 -3.31 115.31 114.53 3i56 h LEU 66 Ca 0.00 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3i56 h LEU 66 Cb 0.80 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3i56 h LEU 66 CO 0.11 1.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.60 3i56 n ALA 67 N -2.70 1.33 0.41 1.25 0.00 -1.21 -1.20 120.51 118.39 3i56 n ALA 67 Ca -0.20 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.51 3i56 n ALA 67 Cb 1.04 -1.32 0.49 0.00 0.00 0.00 0.00 19.45 19.66 3i56 n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i56 h GLU 68 N 0.00 0.00 -0.00 0.00 4.81 -1.79 -3.03 114.58 114.57 3i56 h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i56 h GLU 68 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3i56 h GLU 68 CO 0.00 0.00 -0.53 0.66 -0.73 0.00 0.00 179.01 178.41 3i56 n TYR 69 N -2.49 0.00 0.00 0.92 4.02 -0.34 -5.00 117.16 114.27 3i56 n TYR 69 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3i56 n TYR 69 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3i56 n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i56 n GLY 70 N 1.25 -0.33 3.77 2.72 0.00 -1.14 -5.06 105.19 106.38 3i56 n GLY 70 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3i56 n GLY 70 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i56 s TRP 71 N -0.66 3.27 -0.00 1.61 -0.11 -1.25 -4.92 118.94 116.87 3i56 s TRP 71 Ca 0.00 1.55 0.00 0.00 1.22 0.00 0.00 56.10 58.87 3i56 s TRP 71 Cb 0.00 -3.49 0.00 0.00 -1.50 0.00 0.00 33.47 28.49 3i56 s TRP 71 CO 0.00 -1.26 0.63 -1.91 -4.62 0.00 0.00 176.95 169.79 3i56 n GLU 72 N 0.88 0.45 -3.69 5.86 2.13 -1.26 -4.58 120.64 120.42 3i56 n GLU 72 Ca -0.00 -0.72 -0.22 0.00 0.66 0.00 0.00 57.16 56.88 3i56 n GLU 72 Cb 0.44 -0.59 -0.03 0.00 0.27 0.00 0.00 31.44 31.53 3i56 n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i56 s ALA 73 N -0.19 4.07 1.07 4.31 0.00 -1.26 -4.85 121.76 124.91 3i56 s ALA 73 Ca 0.01 -1.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.01 3i56 s ALA 73 Cb 0.00 -0.88 0.21 0.00 0.00 0.00 0.00 23.12 22.46 3i56 s ALA 73 CO 0.00 -0.27 0.95 -2.30 0.00 0.00 0.00 175.76 174.14 3i56 n PRO 74 N -1.56 -1.60 -0.06 0.00 -0.02 -1.26 -5.00 135.00 125.50 3i56 n PRO 74 Ca 0.02 -0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.11 3i56 n PRO 74 Cb 0.63 -2.19 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 3i56 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i56 n THR 75 N -4.62 0.66 -2.18 3.45 -2.24 -1.25 -4.74 114.28 103.36 3i56 n THR 75 Ca 0.06 -0.83 -0.26 0.00 -2.27 0.00 0.00 64.05 60.75 3i56 n THR 75 Cb 0.54 0.71 0.02 0.00 -2.10 0.00 0.00 70.33 69.49 3i56 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i56 n GLY 76 N 0.09 6.18 2.05 3.38 0.00 -0.75 -3.79 105.19 112.35 3i56 n GLY 76 Ca 0.05 -2.69 -0.15 0.00 0.00 0.00 0.00 46.02 43.23 3i56 n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i56 n ASN 77 N -0.61 0.92 -0.20 1.61 0.23 -1.26 -4.93 115.26 111.02 3i56 n ASN 77 Ca 0.43 -2.34 -0.07 0.00 -0.53 0.00 0.00 54.58 52.07 3i56 n ASN 77 Cb 0.79 0.69 0.03 0.00 -2.08 0.00 0.00 39.78 39.21 3i56 n ASN 77 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 3i56 h MET 78 N 0.00 0.80 -0.09 -3.83 2.86 -1.90 -0.33 114.93 112.43 3i56 h MET 78 Ca -0.19 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.22 3i56 h MET 78 Cb 0.75 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3i56 h MET 78 CO 0.30 0.64 -0.48 -1.35 1.06 0.00 0.00 176.91 177.08 3i56 h PRO 79 N 0.76 0.23 -0.27 -0.22 0.11 -1.83 -2.79 132.00 127.99 3i56 h PRO 79 Ca 0.19 -0.12 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 3i56 h PRO 79 Cb 0.09 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3i56 h PRO 79 CO -0.03 0.66 -0.46 1.03 -0.21 0.00 0.00 178.00 179.00 3i56 h SER 80 N 0.19 0.77 0.04 -2.05 0.87 -1.85 -2.94 113.55 108.57 3i56 h SER 80 Ca 0.01 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3i56 h SER 80 Cb 0.92 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3i56 h SER 80 CO 0.07 1.11 -0.03 0.00 -0.53 0.00 0.00 176.83 177.45 3i56 h ALA 81 N 0.92 -0.07 0.10 6.23 0.00 -0.80 -0.96 119.26 124.68 3i56 h ALA 81 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i56 h ALA 81 Cb 1.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i56 h ALA 81 CO 0.10 -0.55 -0.07 -0.92 0.00 0.00 0.00 179.25 177.81 3i56 h TYR 82 N -0.08 -0.18 -0.72 0.00 3.20 -1.54 -1.93 116.97 115.72 3i56 h TYR 82 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3i56 h TYR 82 Cb 0.08 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3i56 h TYR 82 CO -0.09 -0.11 0.48 -0.07 -1.64 0.00 0.00 178.16 176.72 3i56 h LEU 83 N -0.18 0.82 -0.95 2.82 3.38 -1.39 0.22 115.31 120.04 3i56 h LEU 83 Ca -0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3i56 h LEU 83 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3i56 h LEU 83 CO -0.00 0.59 -0.52 0.74 0.09 0.00 0.00 178.44 179.34 3i56 h THR 84 N 0.97 1.36 0.03 0.22 2.02 -1.03 -0.01 112.91 116.47 3i56 h THR 84 Ca 0.26 -1.80 -0.22 0.00 0.77 0.00 0.00 66.41 65.42 3i56 h THR 84 Cb -0.11 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3i56 h THR 84 CO -0.06 0.51 -0.97 1.23 0.37 0.00 0.00 175.52 176.61 3i56 h GLY 85 N 1.60 0.26 1.22 2.16 0.00 -0.37 -2.31 103.07 105.63 3i56 h GLY 85 Ca -0.01 -0.51 -0.21 0.00 0.00 0.00 0.00 47.33 46.61 3i56 h GLY 85 CO 0.07 0.45 -0.69 -2.00 0.00 0.00 0.00 176.54 174.37 3i56 h LEU 86 N 0.12 0.90 -1.21 3.11 5.85 -0.29 -2.04 115.31 121.75 3i56 h LEU 86 Ca -0.06 -0.55 -0.07 0.00 0.84 0.00 0.00 57.88 58.03 3i56 h LEU 86 Cb 1.63 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3i56 h LEU 86 CO 0.15 1.34 -0.34 0.25 -0.34 0.00 0.00 178.44 179.50 3i56 h LEU 87 N 0.56 0.00 0.11 2.25 5.85 -1.02 -0.79 115.31 122.28 3i56 h LEU 87 Ca -0.03 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.43 3i56 h LEU 87 Cb 1.30 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.36 3i56 h LEU 87 CO 0.14 0.34 -1.09 0.00 -0.34 0.00 0.00 178.44 177.50 3i56 h ALA 88 N 1.66 -0.02 -0.05 1.25 0.00 -1.33 -3.03 119.26 117.73 3i56 h ALA 88 Ca -0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 3i56 h ALA 88 Cb 0.73 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3i56 h ALA 88 CO 0.04 0.58 -0.42 0.78 0.00 0.00 0.00 179.25 180.24 3i56 h GLY 89 N 0.11 0.12 1.27 0.00 0.00 -1.05 -1.84 103.07 101.67 3i56 h GLY 89 Ca -0.17 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 3i56 h GLY 89 CO 0.21 0.10 -0.70 1.41 0.00 0.00 0.00 176.54 177.55 3i56 h LEU 90 N 0.09 0.85 -1.01 3.11 3.38 -1.21 -1.95 115.31 118.57 3i56 h LEU 90 Ca 0.01 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 3i56 h LEU 90 Cb 0.78 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3i56 h LEU 90 CO 0.06 1.31 -0.46 0.03 0.09 0.00 0.00 178.44 179.47 3i56 h ARG 91 N 0.52 0.00 -0.40 1.13 3.08 -1.43 -2.67 114.38 114.61 3i56 h ARG 91 Ca -0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3i56 h ARG 91 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3i56 h ARG 91 CO 0.14 0.46 -0.27 0.00 -1.07 0.00 0.00 179.97 179.23 3i56 h ALA 92 N 1.54 0.78 -0.12 0.04 0.00 -1.14 -2.11 119.26 118.25 3i56 h ALA 92 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 3i56 h ALA 92 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3i56 h ALA 92 CO 0.06 0.65 -0.27 1.96 0.00 0.00 0.00 179.25 181.65 3i56 h GLN 93 N 0.71 0.22 0.00 0.00 1.08 -1.02 -1.34 115.11 114.77 3i56 h GLN 93 Ca 0.09 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3i56 h GLN 93 Cb 0.81 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 3i56 h GLN 93 CO 0.07 0.49 -0.21 0.93 -0.95 0.00 0.00 178.83 179.15 3i56 h GLU 94 N 0.20 0.00 -0.00 1.46 4.39 -1.24 -3.05 114.58 116.34 3i56 h GLU 94 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3i56 h GLU 94 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3i56 h GLU 94 CO 0.04 0.21 -0.31 0.00 -1.16 0.00 0.00 179.01 177.80 3i56 n ALA 95 N -2.17 3.13 -0.26 3.43 0.00 -0.83 -4.94 120.51 118.87 3i56 n ALA 95 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3i56 n ALA 95 Cb 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3i56 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 96 N 1.44 0.78 3.71 0.00 0.00 -1.08 -5.06 105.19 104.97 3i56 n GLY 96 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i56 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i56 s VAL 97 N -2.20 4.93 -0.06 1.61 1.01 -0.55 -4.97 120.40 120.17 3i56 s VAL 97 Ca 0.00 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.86 3i56 s VAL 97 Cb 0.00 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3i56 s VAL 97 CO 0.00 0.18 -0.00 -0.62 0.00 0.00 0.00 175.10 174.66 3i56 n GLU 98 N 3.92 2.37 -4.23 2.72 1.02 -1.26 -4.04 120.64 121.14 3i56 n GLU 98 Ca 0.04 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 3i56 n GLU 98 Cb 0.51 -1.14 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 3i56 n GLU 98 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3i56 s GLU 99 N -2.13 0.99 0.25 3.49 -1.05 -1.26 -1.94 118.70 117.06 3i56 s GLU 99 Ca -0.04 -1.32 -0.17 0.00 -0.15 0.00 0.00 54.97 53.29 3i56 s GLU 99 Cb 0.02 -0.66 0.01 0.00 -0.44 0.00 0.00 34.13 33.05 3i56 s GLU 99 CO 0.20 0.10 0.59 0.00 0.95 0.00 0.00 175.26 177.10 3i56 s ALA 100 N -2.79 -0.77 -0.04 -0.84 0.00 -1.03 -4.13 121.76 112.15 3i56 s ALA 100 Ca 0.12 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.59 3i56 s ALA 100 Cb -0.01 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 3i56 s ALA 100 CO 0.01 -0.92 -0.15 0.14 0.00 0.00 0.00 175.76 174.84 3i56 s VAL 101 N -3.95 1.29 -0.31 0.00 -7.23 -0.55 -4.02 120.40 105.63 3i56 s VAL 101 Ca 0.15 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 3i56 s VAL 101 Cb -0.03 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.79 3i56 s VAL 101 CO 0.06 0.38 1.29 -0.22 -0.31 0.00 0.00 175.10 176.30 3i56 s LEU 102 N 0.14 3.87 -0.38 1.32 2.96 -1.26 -0.44 118.68 124.89 3i56 s LEU 102 Ca -0.05 1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 54.90 3i56 s LEU 102 Cb -0.12 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.06 3i56 s LEU 102 CO 0.02 -1.09 0.22 -0.62 -1.32 0.00 0.00 176.35 173.57 3i56 s ASP 103 N 2.75 5.79 0.00 3.68 -1.08 -0.62 -4.92 116.67 122.26 3i56 s ASP 103 Ca 0.55 -0.97 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 3i56 s ASP 103 Cb -0.16 -2.04 0.45 0.00 -1.46 0.00 0.00 42.92 39.71 3i56 s ASP 103 CO 0.23 -0.39 1.40 2.30 0.52 0.00 0.00 175.17 179.23 3i56 n ILE 104 N 5.02 0.00 0.00 4.11 -5.35 -1.26 -1.15 119.36 120.73 3i56 n ILE 104 Ca -0.12 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 3i56 n ILE 104 Cb 0.46 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3i56 n ILE 104 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i56 n GLY 105 N 1.30 3.54 0.85 3.28 0.00 -1.26 -2.32 105.19 110.58 3i56 n GLY 105 Ca 0.15 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3i56 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i56 n LEU 106 N 0.00 2.54 -4.80 0.99 4.77 -1.26 -4.91 117.00 114.33 3i56 n LEU 106 Ca 0.00 -1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 54.57 3i56 n LEU 106 Cb 0.00 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3i56 n LEU 106 CO 0.00 0.55 0.71 0.20 -1.33 0.00 0.00 177.39 177.52 3i56 s ASN 107 N -1.50 5.37 0.15 -1.43 -0.87 -0.98 -5.04 114.94 110.64 3i56 s ASN 107 Ca 0.35 1.74 -0.20 0.00 -1.57 0.00 0.00 52.86 53.18 3i56 s ASN 107 Cb 0.20 -2.52 -0.08 0.00 -0.02 0.00 0.00 41.25 38.84 3i56 s ASN 107 CO 0.28 -1.45 0.67 -0.44 -2.57 0.00 0.00 177.10 173.59 3i56 s SER 108 N -3.31 7.12 -0.05 -1.22 0.01 -1.26 -4.97 113.70 110.02 3i56 s SER 108 Ca 0.61 1.39 -0.06 0.00 1.31 0.00 0.00 55.95 59.21 3i56 s SER 108 Cb -0.16 -2.41 -0.22 0.00 0.21 0.00 0.00 66.02 63.45 3i56 s SER 108 CO 0.48 0.16 3.47 -2.65 0.41 0.00 0.00 173.24 175.11 3i56 n PRO 109 N 1.27 2.01 -2.16 12.44 -0.02 -1.26 -4.94 135.00 142.34 3i56 n PRO 109 Ca -0.06 -1.12 -0.42 0.00 -2.02 0.00 0.00 63.50 59.88 3i56 n PRO 109 Cb 0.50 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3i56 n PRO 109 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i56 s THR 110 N 0.58 3.38 0.14 3.45 2.01 -1.26 -4.95 115.64 118.99 3i56 s THR 110 Ca 0.64 0.94 -0.35 0.00 0.31 0.00 0.00 61.69 63.23 3i56 s THR 110 Cb 0.32 -3.60 -0.15 0.00 0.01 0.00 0.00 72.50 69.08 3i56 s THR 110 CO -0.03 0.05 1.52 -2.65 -0.69 0.00 0.00 174.62 172.82 3i56 n PRO 111 N 4.41 1.91 -1.20 4.92 -0.02 -1.26 -2.47 135.00 141.29 3i56 n PRO 111 Ca 0.12 0.69 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 3i56 n PRO 111 Cb 0.42 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3i56 n PRO 111 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i56 n GLY 112 N 3.20 0.91 3.92 -1.23 0.00 -0.03 -4.93 105.19 107.02 3i56 n GLY 112 Ca 0.17 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3i56 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i56 s SER 113 N -2.79 4.48 0.32 1.61 0.01 -1.03 -4.56 113.70 111.74 3i56 s SER 113 Ca 0.00 0.58 0.02 0.00 1.31 0.00 0.00 55.95 57.86 3i56 s SER 113 Cb 0.00 -1.08 0.60 0.00 0.21 0.00 0.00 66.02 65.75 3i56 s SER 113 CO 0.00 -1.87 1.93 0.11 0.41 0.00 0.00 173.24 173.82 3i56 h LYS 114 N -0.93 0.90 -0.06 12.44 1.57 -1.95 -2.04 116.57 126.51 3i56 h LYS 114 Ca -0.45 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 3i56 h LYS 114 Cb 1.31 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3i56 h LYS 114 CO 0.61 0.60 -0.40 -0.39 -0.57 0.00 0.00 179.45 179.30 3i56 h VAL 115 N 0.93 1.30 0.00 0.50 -1.51 -1.94 -0.94 116.25 114.59 3i56 h VAL 115 Ca 0.36 -1.44 -0.07 0.00 -1.23 0.00 0.00 66.70 64.31 3i56 h VAL 115 Cb 0.20 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 3i56 h VAL 115 CO -0.13 0.42 -0.36 -0.26 -1.23 0.00 0.00 177.57 176.02 3i56 h PHE 116 N 0.11 0.00 0.01 5.19 0.05 -1.78 -2.70 116.94 117.82 3i56 h PHE 116 Ca 0.01 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.60 3i56 h PHE 116 Cb 0.75 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.69 3i56 h PHE 116 CO 0.01 0.36 -0.92 0.00 -0.18 0.00 0.00 178.31 177.57 3i56 h ALA 117 N 1.64 0.48 -0.43 2.45 0.00 -0.82 -1.46 119.26 121.12 3i56 h ALA 117 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 3i56 h ALA 117 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3i56 h ALA 117 CO 0.05 1.02 -0.10 0.82 0.00 0.00 0.00 179.25 181.03 3i56 h ILE 118 N 0.05 1.26 -0.34 0.00 2.04 -1.01 -1.77 117.51 117.75 3i56 h ILE 118 Ca -0.04 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.53 3i56 h ILE 118 Cb 1.59 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3i56 h ILE 118 CO 0.13 0.40 -0.30 -0.61 0.00 0.00 0.00 178.15 177.77 3i56 h GLN 119 N 0.70 0.80 -0.22 2.37 4.15 -1.33 -2.75 115.11 118.84 3i56 h GLN 119 Ca 0.12 -0.41 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 3i56 h GLN 119 Cb 0.58 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 3i56 h GLN 119 CO 0.04 1.04 0.02 1.49 -1.93 0.00 0.00 178.83 179.49 3i56 h GLU 120 N 0.58 0.32 -0.14 1.69 4.81 -0.87 -1.81 114.58 119.16 3i56 h GLU 120 Ca 0.06 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3i56 h GLU 120 Cb 0.88 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3i56 h GLU 120 CO 0.08 0.33 -0.01 0.78 -0.73 0.00 0.00 179.01 179.45 3i56 h GLY 121 N 0.57 0.27 1.84 1.92 0.00 -1.15 -2.55 103.07 103.97 3i56 h GLY 121 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 3i56 h GLY 121 CO 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 176.54 176.44 3i56 h ALA 122 N 0.74 1.32 -0.34 3.60 0.00 -1.17 -2.37 119.26 121.04 3i56 h ALA 122 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3i56 h ALA 122 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i56 h ALA 122 CO 0.01 0.47 0.06 0.82 0.00 0.00 0.00 179.25 180.61 3i56 h ILE 123 N 0.17 1.23 0.00 0.00 2.04 -1.27 -2.41 117.51 117.28 3i56 h ILE 123 Ca 0.03 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3i56 h ILE 123 Cb 0.60 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3i56 h ILE 123 CO 0.04 0.27 0.00 0.47 0.00 0.00 0.00 178.15 178.94 3i56 n ASP 124 N -4.59 0.48 0.03 1.72 9.92 -0.97 -2.08 116.55 121.06 3i56 n ASP 124 Ca -0.02 0.61 0.12 0.00 -0.53 0.00 0.00 54.79 54.98 3i56 n ASP 124 Cb 0.22 -0.72 0.28 0.00 -0.64 0.00 0.00 41.12 40.26 3i56 n ASP 124 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i56 n ALA 125 N -1.69 3.07 0.00 2.24 0.00 -0.92 -4.94 120.51 118.27 3i56 n ALA 125 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3i56 n ALA 125 Cb 0.23 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i56 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i56 n GLY 126 N 1.43 1.11 3.78 0.00 0.00 -0.88 -4.68 105.19 105.94 3i56 n GLY 126 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3i56 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i56 s LEU 127 N 0.00 4.56 -0.84 0.99 1.02 -1.02 -4.95 118.68 118.43 3i56 s LEU 127 Ca 0.00 1.59 -0.16 0.00 0.02 0.00 0.00 54.13 55.58 3i56 s LEU 127 Cb 0.00 -3.31 0.19 0.00 0.02 0.00 0.00 46.19 43.09 3i56 s LEU 127 CO 0.00 0.19 0.87 -1.81 0.02 0.00 0.00 176.35 175.62 3i56 s ASP 128 N -1.21 6.68 -0.15 2.29 1.01 -0.82 -4.29 116.67 120.19 3i56 s ASP 128 Ca 0.36 -2.42 -0.02 0.00 0.71 0.00 0.00 52.55 51.18 3i56 s ASP 128 Cb -0.22 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 3i56 s ASP 128 CO 0.25 -0.75 -0.08 -0.63 0.21 0.00 0.00 175.17 174.17 3i56 s ILE 129 N 1.08 3.46 -0.18 0.77 1.01 -1.26 -2.47 121.20 123.61 3i56 s ILE 129 Ca 0.22 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 3i56 s ILE 129 Cb -0.10 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3i56 s ILE 129 CO -0.08 0.50 1.96 -2.84 0.00 0.00 0.00 174.94 174.48 3i56 s PRO 130 N 0.45 3.54 0.00 2.79 0.02 -1.26 -4.94 135.00 135.60 3i56 s PRO 130 Ca -0.06 1.98 0.00 0.00 0.02 0.00 0.00 61.00 62.93 3i56 s PRO 130 Cb -0.15 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.15 3i56 s PRO 130 CO 0.04 -1.62 0.00 -2.39 -0.33 0.00 0.00 177.00 172.69 3i56 n HIS 131 N 9.80 0.00 -3.36 6.54 1.44 -1.26 -4.81 115.22 123.57 3i56 n HIS 131 Ca 0.24 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.84 3i56 n HIS 131 Cb 0.44 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.47 3i56 n HIS 131 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 3i56 s ASN 132 N -0.76 0.65 0.36 4.39 3.84 -1.26 -5.07 114.94 117.10 3i56 s ASN 132 Ca 0.00 -0.19 0.14 0.00 0.21 0.00 0.00 52.86 53.02 3i56 s ASN 132 Cb 0.00 0.94 0.99 0.00 -0.55 0.00 0.00 41.25 42.63 3i56 s ASN 132 CO 0.00 -0.34 1.77 0.44 -2.79 0.00 0.00 177.10 176.18 3i56 h ASP 133 N 8.20 0.56 -0.19 -4.21 3.32 -2.01 -1.77 116.42 120.31 3i56 h ASP 133 Ca -0.15 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3i56 h ASP 133 Cb 1.13 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3i56 h ASP 133 CO 0.28 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.03 3i56 n ASP 134 N -4.71 1.08 -0.23 6.45 5.68 -1.26 -2.84 116.55 120.72 3i56 n ASP 134 Ca 0.25 -1.96 0.06 0.00 -0.50 0.00 0.00 54.79 52.65 3i56 n ASP 134 Cb 0.79 -0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.62 3i56 n ASP 134 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3i56 n VAL 135 N 0.07 0.00 -3.05 2.12 3.14 -0.67 -4.93 118.33 115.02 3i56 n VAL 135 Ca 0.08 -0.32 -0.23 0.00 -2.96 0.00 0.00 64.34 60.91 3i56 n VAL 135 Cb 0.18 1.12 0.01 0.00 -1.06 0.00 0.00 33.84 34.08 3i56 n VAL 135 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3i56 s LEU 136 N -2.04 3.71 0.48 6.55 1.43 -1.13 -0.85 118.68 126.83 3i56 s LEU 136 Ca 0.10 0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 3i56 s LEU 136 Cb 0.11 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.03 3i56 s LEU 136 CO 0.39 -0.62 0.97 0.00 0.23 0.00 0.00 176.35 177.32 3i56 s ALA 137 N -2.51 3.05 0.23 4.21 0.00 -1.26 -4.42 121.76 121.06 3i56 s ALA 137 Ca 0.47 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 3i56 s ALA 137 Cb -0.10 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 3i56 s ALA 137 CO 0.38 -0.11 1.26 0.16 0.00 0.00 0.00 175.76 177.45 3i56 s ASP 138 N -2.74 6.97 0.40 0.00 -4.77 -1.26 -4.82 116.67 110.44 3i56 s ASP 138 Ca 0.60 2.40 0.34 0.00 -3.30 0.00 0.00 52.55 52.59 3i56 s ASP 138 Cb -0.10 -2.62 1.17 0.00 -1.09 0.00 0.00 42.92 40.29 3i56 s ASP 138 CO 0.25 -0.44 1.08 1.87 0.70 0.00 0.00 175.17 178.63 3i56 n TRP 139 N 2.08 0.00 0.08 2.11 -0.00 -1.26 -0.35 117.44 120.10 3i56 n TRP 139 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.45 3i56 n TRP 139 Cb 0.43 -0.34 -0.10 0.00 -0.00 0.00 0.00 31.31 31.31 3i56 n TRP 139 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3i56 h GLN 140 N 0.00 0.09 0.00 5.87 1.08 -1.99 -2.11 115.11 118.05 3i56 h GLN 140 Ca 0.64 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.65 3i56 h GLN 140 Cb 2.62 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 30.10 3i56 h GLN 140 CO -0.01 1.03 -0.22 -0.09 -0.95 0.00 0.00 178.83 178.60 3i56 h ARG 141 N 0.03 0.00 0.07 1.46 2.43 -1.05 -0.01 114.38 117.31 3i56 h ARG 141 Ca -0.04 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 3i56 h ARG 141 Cb 1.76 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.32 3i56 h ARG 141 CO 0.15 0.22 -1.13 1.15 -1.51 0.00 0.00 179.97 178.85 3i56 h THR 142 N 0.00 1.38 -0.37 0.20 2.02 -1.51 -3.21 112.91 111.42 3i56 h THR 142 Ca -0.00 -2.59 -0.12 0.00 0.77 0.00 0.00 66.41 64.47 3i56 h THR 142 Cb 1.03 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 3i56 h THR 142 CO 0.03 0.77 -0.24 -0.09 0.37 0.00 0.00 175.52 176.36 3i56 h ARG 143 N 0.22 0.74 0.00 6.66 2.43 -1.15 -3.22 114.38 120.06 3i56 h ARG 143 Ca -0.13 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3i56 h ARG 143 Cb 1.80 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3i56 h ARG 143 CO 0.20 0.91 0.00 0.41 -1.51 0.00 0.00 179.97 179.98 3i56 n GLY 144 N -0.23 0.83 0.11 2.80 0.00 -0.47 -4.71 105.19 103.52 3i56 n GLY 144 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i56 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i56 h ALA 145 N 0.00 0.19 -0.05 4.61 0.00 -1.29 -3.21 119.26 119.51 3i56 h ALA 145 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 54.91 53.87 3i56 h ALA 145 Cb 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i56 h ALA 145 CO 0.00 1.06 -0.05 1.12 0.00 0.00 0.00 179.25 181.38 3i56 h HIS 146 N 0.07 0.07 0.17 0.00 2.07 -1.87 -0.99 115.15 114.67 3i56 h HIS 146 Ca -0.21 -0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 56.99 3i56 h HIS 146 Cb 2.01 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 31.98 3i56 h HIS 146 CO 0.07 0.13 -1.49 0.97 -3.07 0.00 0.00 177.93 174.54 3i56 h ILE 147 N 0.07 1.23 -0.17 6.12 2.10 -1.95 -3.14 117.51 121.76 3i56 h ILE 147 Ca 0.02 -2.79 -0.16 0.00 1.08 0.00 0.00 64.86 63.00 3i56 h ILE 147 Cb 0.15 2.88 -0.01 0.00 -1.09 0.00 0.00 36.82 38.75 3i56 h ILE 147 CO 0.01 0.84 -0.57 0.00 -1.08 0.00 0.00 178.15 177.34 3i56 h ALA 148 N 0.37 0.67 0.00 0.18 0.00 -1.48 -2.83 119.26 116.16 3i56 h ALA 148 Ca -0.24 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3i56 h ALA 148 Cb 2.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3i56 h ALA 148 CO 0.20 0.70 0.00 0.39 0.00 0.00 0.00 179.25 180.54 3i56 n GLU 149 N -3.95 0.86 0.00 0.00 1.02 -0.41 -2.20 120.64 115.98 3i56 n GLU 149 Ca -0.03 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.18 3i56 n GLU 149 Cb 0.62 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.41 3i56 n GLU 149 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3i56 n TYR 150 N -1.07 0.26 1.16 -0.32 9.36 -1.08 -3.75 117.16 121.73 3i56 n TYR 150 Ca 0.22 0.08 0.13 0.00 3.32 0.00 0.00 57.90 61.65 3i56 n TYR 150 Cb 0.14 -0.69 0.44 0.00 -0.63 0.00 0.00 39.34 38.60 3i56 n TYR 150 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3i56 n ASP 151 N -2.45 0.50 0.12 2.98 -0.08 -0.94 -2.94 116.55 113.75 3i56 n ASP 151 Ca -0.07 -0.33 0.02 0.00 -1.51 0.00 0.00 54.79 52.90 3i56 n ASP 151 Cb 0.66 0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.12 3i56 n ASP 151 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3i56 h GLU 152 N 0.39 0.00 -2.03 -0.67 4.57 -1.60 -3.10 114.58 112.14 3i56 h GLU 152 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 3i56 h GLU 152 Cb 0.46 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 28.84 3i56 h GLU 152 CO 0.00 0.48 0.72 1.04 -1.18 0.00 0.00 179.01 180.07 3i56 n GLN 153 N -3.17 2.68 0.00 1.92 6.02 -1.15 -4.88 117.38 118.80 3i56 n GLN 153 Ca 0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 57.00 54.14 3i56 n GLN 153 Cb 0.76 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3i56 n GLN 153 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i56 n LEU 154 N 0.40 0.00 0.00 1.08 7.94 -1.17 -4.80 117.00 120.44 3i56 n LEU 154 Ca 0.51 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 3i56 n LEU 154 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 3i56 n LEU 154 CO 0.41 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.90 3i56 n GLU 155 N 0.00 0.00 -4.55 1.96 2.13 -1.26 -4.68 120.64 114.24 3i56 n GLU 155 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3i56 n GLU 155 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 3i56 n GLU 155 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3i56 s GLU 156 N 0.00 1.15 0.66 5.31 2.02 -1.26 -5.14 118.70 121.43 3i56 s GLU 156 Ca 0.00 -0.73 -0.17 0.00 0.02 0.00 0.00 54.97 54.10 3i56 s GLU 156 Cb 0.00 -1.17 -0.00 0.00 0.10 0.00 0.00 34.13 33.06 3i56 s GLU 156 CO 0.00 0.30 1.18 -2.14 0.02 0.00 0.00 175.26 174.62 3i56 s PRO 157 N -0.87 2.65 0.02 0.39 0.02 -1.26 -4.97 135.00 130.98 3i56 s PRO 157 Ca 0.05 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 62.59 3i56 s PRO 157 Cb -0.07 -1.90 -0.36 0.00 0.02 0.00 0.00 34.50 32.19 3i56 s PRO 157 CO 0.01 -1.42 0.97 1.25 -0.33 0.00 0.00 177.00 177.48 3i56 h LEU 158 N 0.27 0.84 -9.66 -5.54 5.85 -1.94 -3.45 115.31 101.67 3i56 h LEU 158 Ca -0.48 -0.92 -0.62 0.00 0.84 0.00 0.00 57.88 56.69 3i56 h LEU 158 Cb 1.28 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3i56 h LEU 158 CO 0.53 1.72 -0.26 -0.31 -0.34 0.00 0.00 178.44 179.78 3i56 s TYR 159 N -2.60 3.70 -0.08 1.25 2.02 -1.26 -5.03 117.35 115.34 3i56 s TYR 159 Ca -0.10 0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 57.48 3i56 s TYR 159 Cb 0.04 -2.21 -0.00 0.00 -0.40 0.00 0.00 41.96 39.38 3i56 s TYR 159 CO 0.94 0.66 -0.01 1.03 -1.57 0.00 0.00 175.55 176.60 3i56 h SER 160 N 4.80 0.00 -4.09 2.29 0.87 -1.98 -3.47 113.55 111.97 3i56 h SER 160 Ca -0.52 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 59.53 3i56 h SER 160 Cb 1.22 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 63.26 3i56 h SER 160 CO 0.61 0.41 0.44 -0.83 -0.53 0.00 0.00 176.83 176.92 3i56 s GLY 161 N -3.27 2.63 -0.78 5.77 0.00 -1.26 -4.94 107.32 105.48 3i56 s GLY 161 Ca -0.01 0.84 -0.26 0.00 0.00 0.00 0.00 44.72 45.29 3i56 s GLY 161 CO 0.02 1.20 1.34 -0.35 0.00 0.00 0.00 173.10 175.31 3i56 s ASP 162 N -1.78 6.15 -0.05 1.64 -1.08 -1.26 -4.66 116.67 115.63 3i56 s ASP 162 Ca 0.73 -0.56 -0.05 0.00 -0.52 0.00 0.00 52.55 52.15 3i56 s ASP 162 Cb -0.25 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.63 3i56 s ASP 162 CO 0.29 -1.83 -0.11 0.33 0.52 0.00 0.00 175.17 174.37 3i56 n PHE 163 N 9.54 0.00 -3.64 -5.34 7.35 -1.26 -5.12 117.46 118.99 3i56 n PHE 163 Ca 0.09 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.75 3i56 n PHE 163 Cb 0.49 -0.15 -0.01 0.00 0.35 0.00 0.00 39.48 40.16 3i56 n PHE 163 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 3i56 s ASP 164 N -4.89 -0.18 0.00 -2.13 1.47 -1.26 -5.11 116.67 104.57 3i56 s ASP 164 Ca -0.09 -0.19 0.00 0.00 1.18 0.00 0.00 52.55 53.45 3i56 s ASP 164 Cb 0.01 0.33 0.00 0.00 -0.34 0.00 0.00 42.92 42.92 3i56 s ASP 164 CO 0.13 -0.58 0.18 0.00 0.68 0.00 0.00 175.17 175.57 3i56 n ALA 165 N -0.38 -0.03 1.30 2.11 0.00 -1.26 -4.36 120.51 117.89 3i56 n ALA 165 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3i56 n ALA 165 Cb 0.61 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.67 3i56 n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i56 n ALA 166 N -0.87 2.27 -1.38 0.00 0.00 -1.26 -4.85 120.51 114.42 3i56 n ALA 166 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i56 n ALA 166 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3i56 n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i56 n ASP 167 N -0.99 -7.58 -4.16 0.00 8.00 -1.26 -4.78 116.55 105.77 3i56 n ASP 167 Ca 0.15 1.06 -0.37 0.00 0.71 0.00 0.00 54.79 56.35 3i56 n ASP 167 Cb 0.07 -3.92 -0.12 0.00 -0.02 0.00 0.00 41.12 37.13 3i56 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i56 s LEU 168 N -2.92 4.91 0.00 0.64 1.43 -1.26 -4.91 118.68 116.57 3i56 s LEU 168 Ca 0.00 -1.75 0.30 0.00 -1.03 0.00 0.00 54.13 51.64 3i56 s LEU 168 Cb 0.00 -1.83 1.72 0.00 0.03 0.00 0.00 46.19 46.11 3i56 s LEU 168 CO 0.00 -0.47 2.11 -2.65 0.23 0.00 0.00 176.35 175.57 3i56 n PRO 169 N 4.66 1.04 0.21 1.29 -0.02 -1.26 -2.63 135.00 138.30 3i56 n PRO 169 Ca -0.06 -0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.49 3i56 n PRO 169 Cb 0.42 -1.46 0.34 0.00 -0.02 0.00 0.00 33.50 32.78 3i56 n PRO 169 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i56 h GLU 170 N 0.15 0.00 -0.01 -0.52 3.07 -1.91 -2.92 114.58 112.44 3i56 h GLU 170 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3i56 h GLU 170 Cb 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3i56 h GLU 170 CO 0.00 0.00 -0.56 1.25 -1.40 0.00 0.00 179.01 178.30 3i56 h HIS 171 N 0.00 0.05 0.03 4.33 2.76 -1.90 -0.91 115.15 119.51 3i56 h HIS 171 Ca 0.00 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3i56 h HIS 171 Cb 0.82 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.77 3i56 h HIS 171 CO 0.00 0.59 -0.01 0.35 -1.30 0.00 0.00 177.93 177.55 3i56 h PHE 172 N 0.03 -0.04 -0.98 5.26 3.57 -1.72 -0.24 116.94 122.82 3i56 h PHE 172 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3i56 h PHE 172 Cb 1.00 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 3i56 h PHE 172 CO 0.00 0.32 0.63 -0.44 -2.23 0.00 0.00 178.31 176.60 3i56 h ASP 173 N -0.41 1.04 -0.03 0.41 3.32 -1.50 0.18 116.42 119.42 3i56 h ASP 173 Ca -0.00 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3i56 h ASP 173 Cb 0.38 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3i56 h ASP 173 CO 0.01 0.69 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.49 3i56 h GLU 174 N 1.20 0.55 0.07 3.56 5.08 -1.09 -2.33 114.58 121.62 3i56 h GLU 174 Ca 0.40 -0.28 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 3i56 h GLU 174 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3i56 h GLU 174 CO -0.14 0.86 -1.12 1.25 -1.00 0.00 0.00 179.01 178.86 3i56 h LEU 175 N 0.46 0.30 -0.64 1.33 5.85 -0.15 -1.97 115.31 120.48 3i56 h LEU 175 Ca 0.04 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 3i56 h LEU 175 Cb 0.90 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3i56 h LEU 175 CO 0.08 1.21 0.06 -0.09 -0.34 0.00 0.00 178.44 179.36 3i56 h ARG 176 N 0.07 1.10 -0.67 1.25 2.43 -0.67 -2.02 114.38 115.86 3i56 h ARG 176 Ca -0.09 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 3i56 h ARG 176 Cb 1.84 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 31.24 3i56 h ARG 176 CO 0.17 1.03 0.20 1.49 -1.51 0.00 0.00 179.97 181.36 3i56 h GLU 177 N 1.01 1.04 -0.33 0.20 4.57 -1.40 -0.09 114.58 119.59 3i56 h GLU 177 Ca 0.19 -0.21 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 3i56 h GLU 177 Cb 0.50 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3i56 h GLU 177 CO 0.02 0.89 -0.28 1.15 -1.18 0.00 0.00 179.01 179.61 3i56 h THR 178 N 1.00 1.28 0.00 0.32 2.02 -0.99 -2.98 112.91 113.55 3i56 h THR 178 Ca 0.22 -1.40 -0.21 0.00 0.77 0.00 0.00 66.41 65.79 3i56 h THR 178 Cb 0.29 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3i56 h THR 178 CO -0.01 0.46 -1.03 -0.07 0.37 0.00 0.00 175.52 175.24 3i56 h LEU 179 N 0.59 0.00 -0.47 2.58 3.38 -1.03 -3.25 115.31 117.11 3i56 h LEU 179 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i56 h LEU 179 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3i56 h LEU 179 CO 0.06 0.93 0.00 0.18 0.09 0.00 0.00 178.44 179.71 3i56 n LEU 180 N -3.29 0.62 -4.75 1.67 4.32 -0.08 -4.79 117.00 110.70 3i56 n LEU 180 Ca -0.02 0.63 -0.41 0.00 -0.02 0.00 0.00 56.01 56.19 3i56 n LEU 180 Cb 0.93 -0.51 -0.02 0.00 -1.62 0.00 0.00 43.42 42.19 3i56 n LEU 180 CO 0.46 -0.44 1.02 -0.62 -1.22 0.00 0.00 177.39 176.59 3i56 s ASP 181 N -4.15 6.78 0.51 -1.43 3.68 -1.13 -4.95 116.67 115.97 3i56 s ASP 181 Ca 0.06 2.59 0.27 0.00 2.13 0.00 0.00 52.55 57.60 3i56 s ASP 181 Cb 0.10 -2.63 1.34 0.00 -1.45 0.00 0.00 42.92 40.28 3i56 s ASP 181 CO 0.43 -0.58 2.01 1.23 0.13 0.00 0.00 175.17 178.39 3i56 h GLY 182 N 4.54 0.00 0.00 2.66 0.00 -1.90 -3.38 103.07 104.98 3i56 h GLY 182 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3i56 h GLY 182 CO 0.73 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.49 3i56 n ASP 183 N -3.52 0.00 -0.50 0.19 8.00 -1.26 -5.05 116.55 114.40 3i56 n ASP 183 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3i56 n ASP 183 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3i56 n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i56 n ILE 184 N 0.00 0.00 -2.40 0.53 3.06 -1.26 -4.84 119.36 114.44 3i56 n ILE 184 Ca 0.00 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.85 3i56 n ILE 184 Cb 0.00 -0.08 -0.03 0.00 0.54 0.00 0.00 39.64 40.07 3i56 n ILE 184 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3i56 s GLU 185 N -0.17 3.03 0.00 9.51 2.02 -1.26 -5.16 118.70 126.68 3i56 s GLU 185 Ca 0.00 -0.00 0.32 0.00 0.02 0.00 0.00 54.97 55.31 3i56 s GLU 185 Cb 0.00 -4.25 1.88 0.00 0.10 0.00 0.00 34.13 31.86 3i56 s GLU 185 CO 0.00 -2.32 2.21 1.28 0.02 0.00 0.00 175.26 176.45