#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x77 n LEU 5 N 0.00 0.00 -4.78 5.87 7.99 -1.26 -4.77 117.00 120.05 2x77 n LEU 5 Ca 0.00 0.83 -0.31 0.00 -0.01 0.00 0.00 56.01 56.52 2x77 n LEU 5 Cb 0.00 -0.33 0.08 0.00 -0.11 0.00 0.00 43.42 43.06 2x77 n LEU 5 CO 0.00 -0.33 0.70 0.00 -1.51 0.00 0.00 177.39 176.26 2x77 s ALA 6 N -3.21 2.35 0.80 -1.18 0.00 -1.26 -5.05 121.76 114.21 2x77 s ALA 6 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 2x77 s ALA 6 Cb 0.00 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.93 2x77 s ALA 6 CO 0.00 -1.62 1.14 -1.54 0.00 0.00 0.00 175.76 173.74 2x77 s SER 7 N -3.39 4.57 0.05 0.00 1.04 -1.26 -4.91 113.70 109.79 2x77 s SER 7 Ca 0.61 0.96 -0.25 0.00 0.48 0.00 0.00 55.95 57.75 2x77 s SER 7 Cb -0.17 -1.57 -0.17 0.00 0.10 0.00 0.00 66.02 64.21 2x77 s SER 7 CO 0.54 -1.88 1.53 0.25 0.98 0.00 0.00 173.24 174.66 2x77 h LEU 8 N -1.04 -0.13 -0.96 2.42 5.85 -1.96 -1.23 115.31 118.27 2x77 h LEU 8 Ca -0.47 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.27 2x77 h LEU 8 Cb 1.30 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 2x77 h LEU 8 CO 0.64 0.08 0.56 0.11 -0.34 0.00 0.00 178.44 179.49 2x77 h LYS 9 N -0.33 0.74 -0.14 1.25 6.56 -1.95 0.16 116.57 122.87 2x77 h LYS 9 Ca -0.02 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 2x77 h LYS 9 Cb 0.27 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2x77 h LYS 9 CO 0.02 0.49 0.02 0.37 -2.06 0.00 0.00 179.45 178.30 2x77 h GLN 10 N 0.76 0.23 -0.14 3.15 4.15 -1.88 0.19 115.11 121.58 2x77 h GLN 10 Ca 0.53 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.94 2x77 h GLN 10 Cb 0.76 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 2x77 h GLN 10 CO -0.36 0.42 -0.27 1.15 -1.93 0.00 0.00 178.83 177.85 2x77 h THR 11 N -0.00 0.37 -0.21 2.39 2.02 -0.28 -3.02 112.91 114.19 2x77 h THR 11 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 2x77 h THR 11 Cb 0.31 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2x77 h THR 11 CO 0.00 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 175.50 2x77 h LEU 12 N -0.33 0.45 -1.99 2.58 3.38 -0.52 -2.64 115.31 116.23 2x77 h LEU 12 Ca 0.10 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.02 2x77 h LEU 12 Cb 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2x77 h LEU 12 CO -0.33 0.75 0.30 1.23 0.09 0.00 0.00 178.44 180.48 2x77 h GLY 13 N 1.07 0.02 1.91 0.83 0.00 -0.56 -2.31 103.07 104.03 2x77 h GLY 13 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2x77 h GLY 13 CO 0.06 0.00 0.03 1.04 0.00 0.00 0.00 176.54 177.67 2x77 n LEU 14 N -4.42 0.24 -4.76 3.11 4.77 -1.00 -4.76 117.00 110.18 2x77 n LEU 14 Ca 0.07 0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 56.25 2x77 n LEU 14 Cb 0.49 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2x77 n LEU 14 CO 0.36 -0.68 0.71 -0.22 -1.33 0.00 0.00 177.39 176.23 2x77 s LEU 15 N -3.63 4.55 -0.16 2.23 2.96 -0.87 -4.94 118.68 118.81 2x77 s LEU 15 Ca -0.01 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.67 2x77 s LEU 15 Cb 0.03 -3.70 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 2x77 s LEU 15 CO 0.08 -0.02 2.14 -2.16 -1.32 0.00 0.00 176.35 175.07 2x77 s PRO 16 N -1.46 3.40 0.41 0.98 0.04 -1.26 -4.85 135.00 132.25 2x77 s PRO 16 Ca 0.44 2.15 0.12 0.00 0.04 0.00 0.00 61.00 63.75 2x77 s PRO 16 Cb -0.27 -4.31 0.95 0.00 0.04 0.00 0.00 34.50 30.91 2x77 s PRO 16 CO 0.34 -1.80 1.95 0.00 0.04 0.00 0.00 177.00 177.53 2x77 h ALA 17 N 13.83 1.94 -0.22 8.56 0.00 -1.92 0.24 119.26 141.69 2x77 h ALA 17 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2x77 h ALA 17 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2x77 h ALA 17 CO 0.96 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 2x77 n ASP 18 N -4.48 2.12 -4.04 0.00 3.85 -1.26 -4.63 116.55 108.10 2x77 n ASP 18 Ca 0.12 -2.19 -0.32 0.00 -0.71 0.00 0.00 54.79 51.69 2x77 n ASP 18 Cb 0.38 -0.40 -0.15 0.00 -1.35 0.00 0.00 41.12 39.59 2x77 n ASP 18 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 2x77 s ARG 19 N -1.63 1.98 -0.06 0.11 3.52 0.07 -5.10 118.95 117.85 2x77 s ARG 19 Ca 0.18 -1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.02 2x77 s ARG 19 Cb 0.12 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 2x77 s ARG 19 CO 0.08 -0.68 1.27 -1.59 -0.81 0.00 0.00 175.30 173.57 2x77 s LYS 20 N 1.07 4.31 -0.19 5.12 -2.85 -1.26 -4.81 119.74 121.14 2x77 s LYS 20 Ca -0.03 1.75 -0.04 0.00 -1.00 0.00 0.00 55.97 56.65 2x77 s LYS 20 Cb -0.20 -3.60 -0.02 0.00 -2.06 0.00 0.00 37.83 31.95 2x77 s LYS 20 CO -0.06 -0.52 -0.03 0.42 0.10 0.00 0.00 175.35 175.26 2x77 s ILE 21 N 2.49 3.73 -0.31 3.79 -1.09 0.14 -5.01 121.20 124.94 2x77 s ILE 21 Ca 0.58 -0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 58.52 2x77 s ILE 21 Cb -0.26 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 2x77 s ILE 21 CO 0.22 0.45 0.13 -0.60 -1.23 0.00 0.00 174.94 173.90 2x77 s ARG 22 N 0.94 3.16 -0.06 2.79 3.52 -1.26 0.16 118.95 128.20 2x77 s ARG 22 Ca 0.00 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 2x77 s ARG 22 Cb -0.14 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2x77 s ARG 22 CO 0.01 -0.46 -0.13 0.08 -0.81 0.00 0.00 175.30 173.99 2x77 s VAL 23 N 1.55 3.19 -0.19 7.11 1.01 0.14 -0.94 120.40 132.27 2x77 s VAL 23 Ca 0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2x77 s VAL 23 Cb -0.17 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2x77 s VAL 23 CO 0.05 0.59 -0.04 -0.76 0.00 0.00 0.00 175.10 174.94 2x77 s LEU 24 N -0.69 3.06 -0.28 3.92 1.43 -0.41 -0.57 118.68 125.14 2x77 s LEU 24 Ca 0.10 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2x77 s LEU 24 Cb -0.11 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.39 2x77 s LEU 24 CO 0.01 0.07 -0.02 -0.32 0.23 0.00 0.00 176.35 176.32 2x77 s MET 25 N 0.97 2.58 0.18 1.70 1.75 0.29 -1.20 119.30 125.57 2x77 s MET 25 Ca 0.00 -1.16 -0.00 0.00 -1.25 0.00 0.00 55.69 53.28 2x77 s MET 25 Cb -0.15 -3.13 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 2x77 s MET 25 CO 0.01 -0.54 0.07 -0.51 -0.65 0.00 0.00 175.02 173.39 2x77 s LEU 26 N 1.29 1.66 0.00 4.11 1.43 -0.52 -3.79 118.68 122.86 2x77 s LEU 26 Ca -0.03 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2x77 s LEU 26 Cb -0.19 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.24 2x77 s LEU 26 CO -0.02 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2x77 n GLY 27 N -0.22 -0.26 3.78 -3.19 0.00 -1.26 -0.54 105.19 103.51 2x77 n GLY 27 Ca -0.03 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2x77 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x77 s LEU 28 N 0.00 3.55 0.61 0.99 1.43 -1.26 -0.76 118.68 123.25 2x77 s LEU 28 Ca 0.00 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.91 2x77 s LEU 28 Cb 0.00 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.59 2x77 s LEU 28 CO 0.00 -1.31 0.48 -0.90 0.23 0.00 0.00 176.35 174.85 2x77 n ASP 29 N -1.89 -1.24 -0.56 2.29 5.68 -1.25 -2.11 116.55 117.47 2x77 n ASP 29 Ca 0.10 0.69 -0.07 0.00 -0.50 0.00 0.00 54.79 55.01 2x77 n ASP 29 Cb 0.52 -1.17 -0.03 0.00 -1.14 0.00 0.00 41.12 39.30 2x77 n ASP 29 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2x77 n ASN 30 N 0.42 -4.09 0.11 -1.12 5.15 -1.26 -4.89 115.26 109.57 2x77 n ASN 30 Ca 0.11 0.18 0.03 0.00 -0.60 0.00 0.00 54.58 54.30 2x77 n ASN 30 Cb 0.48 -2.24 -0.01 0.00 -0.53 0.00 0.00 39.78 37.48 2x77 n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x77 h ALA 31 N 0.00 0.67 0.00 5.20 0.00 -1.75 -3.44 119.26 119.94 2x77 h ALA 31 Ca -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2x77 h ALA 31 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2x77 h ALA 31 CO 0.22 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2x77 n GLY 32 N 1.27 1.92 0.34 0.00 0.00 -1.26 -4.24 105.19 103.21 2x77 n GLY 32 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2x77 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x77 h LYS 33 N 0.00 -0.78 -0.70 1.61 1.57 -1.91 -1.16 116.57 115.20 2x77 h LYS 33 Ca 0.00 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 2x77 h LYS 33 Cb 0.00 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 2x77 h LYS 33 CO 0.00 -0.47 0.10 1.15 -0.57 0.00 0.00 179.45 179.66 2x77 h THR 34 N -1.05 0.48 -0.33 -0.16 2.02 -1.97 -1.17 112.91 110.73 2x77 h THR 34 Ca -0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2x77 h THR 34 Cb 0.68 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2x77 h THR 34 CO 0.14 0.04 0.08 0.28 0.37 0.00 0.00 175.52 176.42 2x77 h SER 35 N 0.20 0.44 -0.70 4.18 0.02 -1.94 -2.19 113.55 113.56 2x77 h SER 35 Ca 0.38 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2x77 h SER 35 Cb 0.65 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2x77 h SER 35 CO -0.54 0.45 0.26 0.40 -1.14 0.00 0.00 176.83 176.27 2x77 h ILE 36 N 0.48 1.25 -0.22 3.27 2.04 0.04 0.17 117.51 124.53 2x77 h ILE 36 Ca 0.11 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2x77 h ILE 36 Cb 0.20 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2x77 h ILE 36 CO -0.00 0.32 0.06 -0.07 0.00 0.00 0.00 178.15 178.45 2x77 h LEU 37 N 1.01 0.28 0.20 1.44 3.38 -1.01 -0.73 115.31 119.88 2x77 h LEU 37 Ca 0.23 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.84 2x77 h LEU 37 Cb 0.24 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.93 2x77 h LEU 37 CO -0.02 0.29 -1.60 1.88 0.09 0.00 0.00 178.44 179.08 2x77 h TYR 38 N 0.31 0.79 0.00 1.13 0.05 -1.32 -3.31 116.97 114.62 2x77 h TYR 38 Ca 0.08 -0.57 -0.01 0.00 0.05 0.00 0.00 58.73 58.28 2x77 h TYR 38 Cb 0.12 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2x77 h TYR 38 CO 0.00 1.58 -0.04 -0.09 -1.05 0.00 0.00 178.16 178.57 2x77 h ARG 39 N 0.12 0.00 0.00 4.88 9.65 -0.06 -1.78 114.38 127.20 2x77 h ARG 39 Ca -0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2x77 h ARG 39 Cb 2.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.70 2x77 h ARG 39 CO 0.22 0.04 0.00 1.28 2.80 0.00 0.00 179.97 184.31 2x77 n LEU 40 N -3.40 0.50 -3.90 3.80 4.77 -0.34 -4.92 117.00 113.52 2x77 n LEU 40 Ca -0.02 0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 56.29 2x77 n LEU 40 Cb 0.16 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.69 2x77 n LEU 40 CO 0.26 -0.51 -0.12 1.57 -1.33 0.00 0.00 177.39 177.26 2x77 n HIS 41 N -2.06 -0.98 0.27 -1.77 -0.00 -0.67 -4.86 115.22 105.16 2x77 n HIS 41 Ca 0.02 0.10 0.03 0.00 -0.00 0.00 0.00 57.72 57.87 2x77 n HIS 41 Cb 0.20 -1.86 0.02 0.00 -0.00 0.00 0.00 29.99 28.36 2x77 n HIS 41 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2x77 n LEU 42 N -3.51 1.43 0.00 0.27 4.32 -1.26 -5.04 117.00 113.20 2x77 n LEU 42 Ca -0.09 -0.95 0.00 0.00 -0.02 0.00 0.00 56.01 54.94 2x77 n LEU 42 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2x77 n LEU 42 CO 0.50 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 2x77 n GLY 43 N 0.44 0.63 3.73 -0.72 0.00 -1.26 -4.85 105.19 103.16 2x77 n GLY 43 Ca 0.04 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2x77 n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x77 s ASP 44 N -4.00 6.76 -0.26 1.61 1.01 -1.26 -4.96 116.67 115.57 2x77 s ASP 44 Ca 0.00 2.47 -0.23 0.00 0.71 0.00 0.00 52.55 55.50 2x77 s ASP 44 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2x77 s ASP 44 CO 0.00 -0.66 0.77 -0.69 0.21 0.00 0.00 175.17 174.81 2x77 s VAL 45 N 0.60 4.86 -0.23 -1.27 1.01 -1.26 -4.48 120.40 119.63 2x77 s VAL 45 Ca 0.62 1.38 -0.06 0.00 0.00 0.00 0.00 61.98 63.92 2x77 s VAL 45 Cb -0.39 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2x77 s VAL 45 CO 0.35 -0.09 0.04 -0.69 0.00 0.00 0.00 175.10 174.72 2x77 s VAL 46 N 2.79 4.18 -0.05 2.92 1.01 0.89 -4.92 120.40 127.22 2x77 s VAL 46 Ca 0.32 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 2x77 s VAL 46 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2x77 s VAL 46 CO 0.09 0.38 0.63 -0.89 0.00 0.00 0.00 175.10 175.30 2x77 s THR 47 N 1.35 5.01 0.30 3.92 2.01 -1.26 -1.17 115.64 125.80 2x77 s THR 47 Ca 0.05 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.38 2x77 s THR 47 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2x77 s THR 47 CO 0.02 0.33 0.18 0.42 -0.69 0.00 0.00 174.62 174.88 2x77 s THR 48 N 0.38 0.24 -0.40 -0.82 -4.23 -0.61 -5.02 115.64 105.18 2x77 s THR 48 Ca 0.33 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 2x77 s THR 48 Cb -0.18 -2.50 0.13 0.00 1.34 0.00 0.00 72.50 71.29 2x77 s THR 48 CO 0.17 0.00 0.20 -0.69 -0.54 0.00 0.00 174.62 173.75 2x77 s VAL 49 N -3.63 1.26 -1.06 2.29 1.01 -1.26 -1.87 120.40 117.14 2x77 s VAL 49 Ca 0.37 -2.24 0.27 0.00 0.00 0.00 0.00 61.98 60.37 2x77 s VAL 49 Cb 0.05 -1.90 0.26 0.00 0.00 0.00 0.00 36.38 34.79 2x77 s VAL 49 CO 0.19 -0.84 1.87 -0.81 0.00 0.00 0.00 175.10 175.51 2x77 n PRO 50 N 3.89 0.06 -3.54 2.72 -0.04 -1.26 -4.80 135.00 132.03 2x77 n PRO 50 Ca 0.06 0.04 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 2x77 n PRO 50 Cb 0.37 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2x77 n PRO 50 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2x77 s THR 51 N -2.94 0.01 0.05 0.52 2.01 -1.26 -4.96 115.64 109.06 2x77 s THR 51 Ca 0.15 -0.04 -0.37 0.00 0.31 0.00 0.00 61.69 61.73 2x77 s THR 51 Cb 0.18 -0.97 -0.16 0.00 0.01 0.00 0.00 72.50 71.56 2x77 s THR 51 CO 0.48 -0.02 1.42 1.33 -0.69 0.00 0.00 174.62 177.13 2x77 n VAL 52 N 0.90 0.05 -1.01 3.82 0.24 -1.26 -2.31 118.33 118.76 2x77 n VAL 52 Ca -0.19 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2x77 n VAL 52 Cb 0.57 -0.94 -0.00 0.00 -1.47 0.00 0.00 33.84 32.00 2x77 n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x77 n GLY 53 N 2.82 0.43 2.96 7.63 0.00 -1.26 -5.03 105.19 112.74 2x77 n GLY 53 Ca 0.19 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 2x77 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x77 s VAL 54 N -2.01 1.16 -0.47 1.61 -7.23 -0.98 -5.04 120.40 107.44 2x77 s VAL 54 Ca 0.00 -0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 59.59 2x77 s VAL 54 Cb 0.00 -1.12 0.05 0.00 0.56 0.00 0.00 36.38 35.87 2x77 s VAL 54 CO 0.00 0.38 0.49 0.21 -0.31 0.00 0.00 175.10 175.88 2x77 s ASN 55 N 1.33 6.19 -0.26 4.85 3.84 -1.26 -4.26 114.94 125.37 2x77 s ASN 55 Ca -0.01 -1.00 -0.10 0.00 0.21 0.00 0.00 52.86 51.96 2x77 s ASN 55 Cb -0.14 -2.23 -0.05 0.00 -0.55 0.00 0.00 41.25 38.28 2x77 s ASN 55 CO -0.05 -0.72 0.16 -0.22 -2.79 0.00 0.00 177.10 173.48 2x77 s LEU 56 N 2.15 3.98 -0.12 3.21 2.96 -0.78 -4.55 118.68 125.54 2x77 s LEU 56 Ca 0.10 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2x77 s LEU 56 Cb -0.20 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2x77 s LEU 56 CO 0.10 -0.00 0.04 -1.61 -1.32 0.00 0.00 176.35 173.56 2x77 s GLU 57 N 1.47 3.35 -0.03 1.98 2.02 -0.26 -1.57 118.70 125.65 2x77 s GLU 57 Ca 0.07 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.74 2x77 s GLU 57 Cb -0.15 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.11 2x77 s GLU 57 CO 0.08 0.59 -0.07 0.99 0.02 0.00 0.00 175.26 176.87 2x77 s THR 58 N -0.55 0.67 -0.16 3.63 2.01 -0.31 -0.21 115.64 120.71 2x77 s THR 58 Ca 0.10 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2x77 s THR 58 Cb -0.12 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.80 2x77 s THR 58 CO 0.02 0.23 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.85 2x77 s LEU 59 N 0.40 1.77 -0.22 4.42 2.96 -0.90 -0.08 118.68 127.03 2x77 s LEU 59 Ca -0.06 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 2x77 s LEU 59 Cb -0.10 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 2x77 s LEU 59 CO 0.00 -0.11 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.32 2x77 s GLN 60 N 1.52 3.48 -0.24 1.98 2.00 -1.26 -1.11 119.66 126.02 2x77 s GLN 60 Ca 0.02 -0.58 -0.01 0.00 -2.00 0.00 0.00 55.36 52.79 2x77 s GLN 60 Cb -0.14 -3.06 0.07 0.00 0.80 0.00 0.00 33.01 30.68 2x77 s GLN 60 CO -0.09 -0.13 0.03 -0.47 -0.50 0.00 0.00 175.29 174.12 2x77 s TYR 61 N 1.35 1.70 0.00 1.67 5.04 0.70 -4.96 117.35 122.85 2x77 s TYR 61 Ca 0.04 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.24 2x77 s TYR 61 Cb -0.14 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.73 2x77 s TYR 61 CO -0.01 -0.74 0.00 1.63 -1.34 0.00 0.00 175.55 175.09 2x77 n LYS 62 N 4.86 0.00 0.00 4.97 5.02 -1.26 -1.93 118.16 129.82 2x77 n LYS 62 Ca -0.08 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.36 2x77 n LYS 62 Cb 0.45 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 36.18 2x77 n LYS 62 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2x77 n ASN 63 N 7.12 0.00 -4.49 4.39 6.94 -1.26 -4.85 115.26 123.11 2x77 n ASN 63 Ca 0.00 0.01 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 2x77 n ASN 63 Cb 0.00 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 36.96 2x77 n ASN 63 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2x77 s ILE 64 N -2.67 4.02 -0.09 1.53 2.07 -0.81 0.27 121.20 125.51 2x77 s ILE 64 Ca 0.25 -0.30 0.04 0.00 -1.41 0.00 0.00 60.65 59.23 2x77 s ILE 64 Cb 0.20 -2.79 -0.01 0.00 0.13 0.00 0.00 42.46 39.99 2x77 s ILE 64 CO 0.48 0.46 -0.23 -0.55 -1.91 0.00 0.00 174.94 173.18 2x77 s SER 65 N 0.69 3.16 -0.19 4.50 0.15 0.12 -0.22 113.70 121.92 2x77 s SER 65 Ca -0.01 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.09 2x77 s SER 65 Cb -0.14 -1.22 -0.02 0.00 -1.71 0.00 0.00 66.02 62.93 2x77 s SER 65 CO 0.02 0.19 -0.03 -0.36 1.20 0.00 0.00 173.24 174.26 2x77 s PHE 66 N 0.15 2.98 -0.11 3.44 0.08 -0.27 0.24 117.98 124.49 2x77 s PHE 66 Ca -0.13 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.32 2x77 s PHE 66 Cb -0.16 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2x77 s PHE 66 CO 0.07 -0.31 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.53 2x77 s GLU 67 N 1.01 3.17 -0.09 0.44 2.02 0.27 -2.12 118.70 123.39 2x77 s GLU 67 Ca 0.01 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.33 2x77 s GLU 67 Cb -0.15 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.53 2x77 s GLU 67 CO 0.01 0.32 -0.13 0.08 0.02 0.00 0.00 175.26 175.55 2x77 s VAL 68 N 0.08 1.30 0.13 2.63 1.01 0.70 0.11 120.40 126.36 2x77 s VAL 68 Ca -0.06 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 2x77 s VAL 68 Cb -0.15 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.04 2x77 s VAL 68 CO 0.04 0.40 0.32 -1.66 0.00 0.00 0.00 175.10 174.21 2x77 s TRP 69 N 0.97 0.02 0.07 5.22 -2.14 -1.25 -1.11 118.94 120.73 2x77 s TRP 69 Ca -0.08 -0.38 -0.14 0.00 2.66 0.00 0.00 56.10 58.16 2x77 s TRP 69 Cb -0.15 0.12 -0.06 0.00 -3.10 0.00 0.00 33.47 30.28 2x77 s TRP 69 CO -0.01 -0.67 0.47 -0.51 -2.66 0.00 0.00 176.95 173.57 2x77 s ASP 70 N -2.86 6.81 0.25 -2.66 1.01 -1.26 -4.15 116.67 113.82 2x77 s ASP 70 Ca 0.06 1.00 0.10 0.00 0.71 0.00 0.00 52.55 54.42 2x77 s ASP 70 Cb 0.03 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2x77 s ASP 70 CO -0.09 0.22 -0.07 -0.76 0.21 0.00 0.00 175.17 174.68 2x77 s LEU 71 N -1.52 3.00 -0.14 1.23 1.43 0.07 -4.77 118.68 117.97 2x77 s LEU 71 Ca 0.30 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2x77 s LEU 71 Cb -0.16 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2x77 s LEU 71 CO 0.17 0.03 0.01 0.61 0.23 0.00 0.00 176.35 177.40 2x77 n GLY 72 N -0.63 0.38 3.64 -3.19 0.00 -1.26 -3.89 105.19 100.23 2x77 n GLY 72 Ca -0.07 -0.79 -0.48 0.00 0.00 0.00 0.00 46.02 44.69 2x77 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x77 n GLY 73 N -0.95 0.75 0.28 -0.02 0.00 -1.26 -4.87 105.19 99.13 2x77 n GLY 73 Ca -0.02 0.62 0.14 0.00 0.00 0.00 0.00 46.02 46.77 2x77 n GLY 73 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2x77 h GLN 74 N 4.91 0.00 -6.15 1.61 4.20 -2.01 -3.43 115.11 114.25 2x77 h GLN 74 Ca -0.45 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.70 2x77 h GLN 74 Cb 1.29 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.87 2x77 h GLN 74 CO 0.81 0.05 -0.81 0.99 -0.67 0.00 0.00 178.83 179.20 2x77 s THR 75 N -4.40 1.82 0.00 -0.54 2.01 -1.26 -5.08 115.64 108.18 2x77 s THR 75 Ca -0.04 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.24 2x77 s THR 75 Cb 0.14 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2x77 s THR 75 CO 0.56 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2x77 n GLY 76 N 0.75 0.66 3.81 4.40 0.00 -1.26 -4.94 105.19 108.61 2x77 n GLY 76 Ca -0.17 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 2x77 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x77 s VAL 77 N -2.83 3.89 0.03 1.61 1.01 -1.26 -4.90 120.40 117.95 2x77 s VAL 77 Ca 0.00 0.82 -0.33 0.00 0.00 0.00 0.00 61.98 62.48 2x77 s VAL 77 Cb 0.00 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.81 2x77 s VAL 77 CO 0.00 -0.60 0.85 -1.14 0.00 0.00 0.00 175.10 174.21 2x77 n ARG 78 N -2.29 0.00 -1.72 2.72 0.63 -1.26 -4.81 116.66 109.93 2x77 n ARG 78 Ca 0.08 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.59 2x77 n ARG 78 Cb 0.53 -1.23 -0.02 0.00 0.45 0.00 0.00 32.46 32.19 2x77 n ARG 78 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2x77 n PRO 79 N 1.23 2.60 -3.99 -0.14 -0.02 -1.26 -4.99 135.00 128.42 2x77 n PRO 79 Ca 0.17 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.46 2x77 n PRO 79 Cb 0.09 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 30.74 2x77 n PRO 79 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2x77 s TYR 80 N 0.33 0.31 0.16 6.00 5.04 -1.26 -5.15 117.35 122.77 2x77 s TYR 80 Ca 0.68 -0.33 -0.19 0.00 -2.44 0.00 0.00 57.07 54.79 2x77 s TYR 80 Cb -0.53 -0.20 0.05 0.00 0.35 0.00 0.00 41.96 41.62 2x77 s TYR 80 CO 0.44 -0.09 0.52 1.67 -1.34 0.00 0.00 175.55 176.74 2x77 s TRP 81 N -0.89 -0.31 0.47 4.97 -2.14 -1.26 -4.84 118.94 114.94 2x77 s TRP 81 Ca -0.08 0.03 -0.25 0.00 2.66 0.00 0.00 56.10 58.46 2x77 s TRP 81 Cb -0.06 0.42 -0.08 0.00 -3.10 0.00 0.00 33.47 30.65 2x77 s TRP 81 CO -0.00 -0.83 1.43 1.03 -2.66 0.00 0.00 176.95 175.92 2x77 s ARG 82 N -3.80 3.56 0.00 3.25 0.52 -1.26 -2.94 118.95 118.27 2x77 s ARG 82 Ca 0.04 2.41 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 2x77 s ARG 82 Cb -0.00 -2.57 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2x77 s ARG 82 CO -0.10 -0.92 0.00 0.00 0.02 0.00 0.00 175.30 174.30 2x77 n TYR 84 N 0.00 0.00 0.55 0.00 -0.00 -1.15 -2.90 117.16 113.65 2x77 n TYR 84 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.96 2x77 n TYR 84 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.38 2x77 n TYR 84 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2x77 n PHE 85 N 0.00 0.00 -2.35 -3.48 0.99 -1.26 -5.03 117.46 106.33 2x77 n PHE 85 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 2x77 n PHE 85 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 2x77 n PHE 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2x77 s SER 86 N -1.26 7.08 -1.40 4.37 1.04 -1.14 -3.46 113.70 118.93 2x77 s SER 86 Ca 0.14 2.38 -0.08 0.00 0.48 0.00 0.00 55.95 58.87 2x77 s SER 86 Cb 0.11 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.64 2x77 s SER 86 CO 0.22 -0.31 0.98 0.47 0.98 0.00 0.00 173.24 175.58 2x77 n ASP 87 N 1.42 -4.15 -4.65 7.02 8.00 -1.26 -4.96 116.55 117.97 2x77 n ASP 87 Ca 0.01 -0.71 -0.43 0.00 0.71 0.00 0.00 54.79 54.37 2x77 n ASP 87 Cb 0.44 -4.38 -0.02 0.00 -0.02 0.00 0.00 41.12 37.14 2x77 n ASP 87 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2x77 s THR 88 N -3.39 4.69 0.02 -3.53 2.01 -1.22 -4.48 115.64 109.74 2x77 s THR 88 Ca 0.43 1.89 -0.16 0.00 0.31 0.00 0.00 61.69 64.17 2x77 s THR 88 Cb -0.20 -4.28 -0.35 0.00 0.01 0.00 0.00 72.50 67.67 2x77 s THR 88 CO 0.79 -0.19 0.96 0.44 -0.69 0.00 0.00 174.62 175.93 2x77 h ASP 89 N 7.57 0.83 -5.14 3.53 3.32 -1.41 -3.43 116.42 121.70 2x77 h ASP 89 Ca -0.20 -0.92 -0.11 0.00 0.02 0.00 0.00 57.03 55.82 2x77 h ASP 89 Cb 1.07 -0.27 -0.16 0.00 0.22 0.00 0.00 39.33 40.19 2x77 h ASP 89 CO 0.96 1.73 -0.49 0.00 -1.72 0.00 0.00 179.24 179.72 2x77 s ALA 90 N -2.60 -0.03 -0.08 3.45 0.00 -1.14 -1.87 121.76 119.49 2x77 s ALA 90 Ca -0.10 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.22 2x77 s ALA 90 Cb 0.04 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 2x77 s ALA 90 CO 0.94 -0.40 -0.22 0.08 0.00 0.00 0.00 175.76 176.15 2x77 s VAL 91 N -3.33 2.27 -0.27 0.00 1.01 0.49 -1.29 120.40 119.28 2x77 s VAL 91 Ca 0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 2x77 s VAL 91 Cb 0.03 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2x77 s VAL 91 CO -0.08 0.56 0.03 -0.63 0.00 0.00 0.00 175.10 174.98 2x77 s ILE 92 N 0.02 3.62 -0.27 2.22 1.01 -0.34 -0.87 121.20 126.59 2x77 s ILE 92 Ca -0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 2x77 s ILE 92 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 2x77 s ILE 92 CO 0.05 0.18 0.13 -0.47 0.00 0.00 0.00 174.94 174.83 2x77 s TYR 93 N 1.46 3.15 -0.16 3.97 5.04 0.11 -1.43 117.35 129.48 2x77 s TYR 93 Ca 0.03 -0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 54.34 2x77 s TYR 93 Cb -0.16 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.80 2x77 s TYR 93 CO -0.00 -0.30 0.04 0.08 -1.34 0.00 0.00 175.55 174.03 2x77 s VAL 94 N 1.67 4.64 0.04 3.14 1.01 0.30 -1.45 120.40 129.75 2x77 s VAL 94 Ca 0.06 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.04 2x77 s VAL 94 Cb -0.16 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2x77 s VAL 94 CO 0.07 0.49 -0.24 -0.69 0.00 0.00 0.00 175.10 174.72 2x77 s VAL 95 N 0.14 1.98 -0.42 2.92 1.01 -0.55 -4.26 120.40 121.22 2x77 s VAL 95 Ca 0.04 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.49 2x77 s VAL 95 Cb -0.12 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2x77 s VAL 95 CO 0.01 0.31 0.65 -0.62 0.00 0.00 0.00 175.10 175.45 2x77 s ASP 96 N -1.22 6.35 0.00 3.32 2.15 -1.26 -0.49 116.67 125.53 2x77 s ASP 96 Ca 0.10 -0.21 0.13 0.00 0.43 0.00 0.00 52.55 53.00 2x77 s ASP 96 Cb -0.10 -2.32 0.65 0.00 -0.30 0.00 0.00 42.92 40.85 2x77 s ASP 96 CO 0.02 -0.75 1.36 -1.20 -0.17 0.00 0.00 175.17 174.44 2x77 n SER 97 N 6.24 0.00 0.06 -0.34 7.64 -0.51 -1.30 113.62 125.41 2x77 n SER 97 Ca -0.01 0.18 0.10 0.00 1.01 0.00 0.00 58.87 60.15 2x77 n SER 97 Cb 0.48 -0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 2x77 n SER 97 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2x77 n THR 98 N -1.33 0.53 -2.57 0.44 -2.24 -1.26 -0.74 114.28 107.11 2x77 n THR 98 Ca 0.06 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2x77 n THR 98 Cb 0.12 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2x77 n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x77 n ASP 99 N -2.59 5.11 -0.17 3.42 -0.08 -0.42 -4.71 116.55 117.11 2x77 n ASP 99 Ca -0.03 -3.05 -0.11 0.00 -1.51 0.00 0.00 54.79 50.09 2x77 n ASP 99 Cb 0.60 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.54 2x77 n ASP 99 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2x77 h ARG 100 N 6.34 1.02 -1.02 -0.67 2.43 -1.85 -2.67 114.38 117.96 2x77 h ARG 100 Ca 0.37 -0.42 0.25 0.00 -0.81 0.00 0.00 59.98 59.37 2x77 h ARG 100 Cb 0.73 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 2x77 h ARG 100 CO 1.48 1.11 0.63 -0.44 -1.51 0.00 0.00 179.97 181.24 2x77 h ASP 101 N 0.88 0.58 -0.53 -3.80 3.32 -1.98 -1.86 116.42 113.02 2x77 h ASP 101 Ca 0.12 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2x77 h ASP 101 Cb 0.78 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2x77 h ASP 101 CO 0.06 0.11 0.00 0.54 -1.72 0.00 0.00 179.24 178.23 2x77 n ARG 102 N -4.76 2.85 0.08 3.56 1.74 -1.03 -4.58 116.66 114.53 2x77 n ARG 102 Ca 0.26 -2.38 -0.04 0.00 -0.77 0.00 0.00 57.85 54.92 2x77 n ARG 102 Cb 0.79 -1.44 0.16 0.00 -1.02 0.00 0.00 32.46 30.95 2x77 n ARG 102 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 2x77 h MET 103 N 3.11 0.25 -0.26 5.56 4.05 -1.05 -1.56 114.93 125.03 2x77 h MET 103 Ca 0.00 -0.15 -0.09 0.00 -0.28 0.00 0.00 59.70 59.19 2x77 h MET 103 Cb 0.89 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 2x77 h MET 103 CO 0.01 0.71 -0.20 0.78 0.23 0.00 0.00 176.91 178.44 2x77 h GLY 104 N 1.36 0.51 1.15 1.39 0.00 -1.81 -0.31 103.07 105.35 2x77 h GLY 104 Ca 0.01 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.75 2x77 h GLY 104 CO 0.08 0.36 -0.65 -2.08 0.00 0.00 0.00 176.54 174.25 2x77 h VAL 105 N 0.42 1.28 -0.63 4.60 2.07 -1.80 -0.09 116.25 122.10 2x77 h VAL 105 Ca 0.07 -1.84 0.04 0.00 0.82 0.00 0.00 66.70 65.78 2x77 h VAL 105 Cb 0.60 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2x77 h VAL 105 CO 0.04 0.59 0.38 0.00 0.02 0.00 0.00 177.57 178.60 2x77 h ALA 106 N 0.61 0.82 0.08 1.67 0.00 -0.89 0.65 119.26 122.21 2x77 h ALA 106 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2x77 h ALA 106 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2x77 h ALA 106 CO 0.14 0.10 -0.15 -0.22 0.00 0.00 0.00 179.25 179.12 2x77 h LYS 107 N 0.73 -0.29 -0.54 0.00 3.64 -0.97 0.02 116.57 119.16 2x77 h LYS 107 Ca 0.26 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.76 2x77 h LYS 107 Cb 0.06 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 2x77 h LYS 107 CO -0.12 -0.19 0.09 1.25 -2.27 0.00 0.00 179.45 178.21 2x77 h HIS 108 N -0.30 0.14 -0.06 1.91 2.76 -0.55 0.30 115.15 119.35 2x77 h HIS 108 Ca 0.03 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 2x77 h HIS 108 Cb 0.32 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2x77 h HIS 108 CO -0.17 -0.03 -0.58 0.93 -1.30 0.00 0.00 177.93 176.78 2x77 h GLU 109 N 0.22 0.19 0.08 5.26 4.39 -0.56 -2.03 114.58 122.12 2x77 h GLU 109 Ca 0.27 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.86 2x77 h GLU 109 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2x77 h GLU 109 CO -0.37 0.71 -0.11 1.25 -1.16 0.00 0.00 179.01 179.34 2x77 h LEU 110 N 0.14 -0.29 -2.30 1.33 5.85 0.17 -2.09 115.31 118.12 2x77 h LEU 110 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2x77 h LEU 110 Cb 1.06 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2x77 h LEU 110 CO 0.09 -0.16 -0.00 1.88 -0.34 0.00 0.00 178.44 179.90 2x77 h TYR 111 N -0.22 0.00 0.00 1.25 -1.99 -0.27 -1.92 116.97 113.82 2x77 h TYR 111 Ca 0.02 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 2x77 h TYR 111 Cb 0.23 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2x77 h TYR 111 CO -0.13 0.00 -0.96 0.00 -0.00 0.00 0.00 178.16 177.07 2x77 h ALA 112 N 2.00 0.64 -0.45 3.88 0.00 -1.07 -3.11 119.26 121.15 2x77 h ALA 112 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2x77 h ALA 112 Cb 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2x77 h ALA 112 CO 0.00 0.46 -0.08 -0.07 0.00 0.00 0.00 179.25 179.57 2x77 h LEU 113 N 0.00 0.85 -0.42 0.00 3.38 -0.72 -3.33 115.31 115.06 2x77 h LEU 113 Ca -0.06 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2x77 h LEU 113 Cb 1.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2x77 h LEU 113 CO 0.03 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.74 2x77 n LEU 114 N -4.30 0.58 -0.87 1.67 4.77 -0.78 -2.17 117.00 115.90 2x77 n LEU 114 Ca -0.00 0.62 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 2x77 n LEU 114 Cb 0.36 -0.50 0.19 0.00 -2.33 0.00 0.00 43.42 41.14 2x77 n LEU 114 CO 0.43 -0.41 0.64 -0.67 -1.33 0.00 0.00 177.39 176.06 2x77 n ASP 115 N -2.11 2.51 -4.72 -1.43 -0.08 -1.21 -4.83 116.55 104.67 2x77 n ASP 115 Ca 0.03 -2.10 -0.37 0.00 -1.51 0.00 0.00 54.79 50.84 2x77 n ASP 115 Cb 0.27 -0.34 -0.07 0.00 2.34 0.00 0.00 41.12 43.32 2x77 n ASP 115 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2x77 s GLU 116 N -1.55 4.27 0.08 -0.67 0.41 -0.92 -4.99 118.70 115.32 2x77 s GLU 116 Ca 0.28 0.19 -0.18 0.00 -0.41 0.00 0.00 54.97 54.85 2x77 s GLU 116 Cb 0.16 -3.45 -0.09 0.00 -1.78 0.00 0.00 34.13 28.97 2x77 s GLU 116 CO 0.17 0.18 1.47 0.22 -0.49 0.00 0.00 175.26 176.80 2x77 h ASP 117 N 6.80 0.47 -0.44 -0.19 1.82 -1.90 -1.70 116.42 121.28 2x77 h ASP 117 Ca -0.40 -0.37 0.13 0.00 -0.39 0.00 0.00 57.03 55.99 2x77 h ASP 117 Cb 1.17 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 41.03 2x77 h ASP 117 CO 0.75 0.74 1.02 -0.33 -1.61 0.00 0.00 179.24 179.81 2x77 h GLU 118 N 0.20 0.00 -0.00 0.28 3.07 -1.94 2.08 114.58 118.27 2x77 h GLU 118 Ca 0.06 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2x77 h GLU 118 Cb 0.53 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2x77 h GLU 118 CO 0.03 0.00 -0.07 1.28 -1.40 0.00 0.00 179.01 178.85 2x77 n LEU 119 N -2.88 2.41 0.00 1.33 4.77 -0.72 -4.52 117.00 117.39 2x77 n LEU 119 Ca 0.10 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 2x77 n LEU 119 Cb 1.16 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2x77 n LEU 119 CO 0.12 0.80 0.23 -2.11 -1.33 0.00 0.00 177.39 175.10 2x77 n ARG 120 N -1.39 0.00 -2.14 3.23 1.85 0.70 -3.49 116.66 115.42 2x77 n ARG 120 Ca 0.16 0.47 -0.37 0.00 -1.00 0.00 0.00 57.85 57.11 2x77 n ARG 120 Cb 0.65 -0.95 0.03 0.00 -1.05 0.00 0.00 32.46 31.14 2x77 n ARG 120 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2x77 n LYS 121 N -0.95 3.21 -2.85 2.89 4.81 -1.26 -4.87 118.16 119.14 2x77 n LYS 121 Ca 0.00 -3.88 -0.37 0.00 -0.87 0.00 0.00 58.31 53.19 2x77 n LYS 121 Cb 0.00 -2.29 -0.06 0.00 0.02 0.00 0.00 35.03 32.70 2x77 n LYS 121 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2x77 s SER 122 N -1.64 7.30 0.43 3.14 0.01 -1.23 -4.96 113.70 116.75 2x77 s SER 122 Ca 0.50 1.75 -0.26 0.00 1.31 0.00 0.00 55.95 59.25 2x77 s SER 122 Cb 0.40 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 64.00 2x77 s SER 122 CO -0.33 -0.03 1.37 -0.76 0.41 0.00 0.00 173.24 173.90 2x77 s LEU 123 N -1.97 4.15 -0.24 2.44 1.43 -0.78 -4.58 118.68 119.13 2x77 s LEU 123 Ca 0.48 2.80 0.01 0.00 -1.03 0.00 0.00 54.13 56.39 2x77 s LEU 123 Cb -0.19 -3.92 0.06 0.00 0.03 0.00 0.00 46.19 42.17 2x77 s LEU 123 CO 0.24 -1.04 -0.07 -0.22 0.23 0.00 0.00 176.35 175.49 2x77 s LEU 124 N -2.61 2.71 -0.26 1.79 2.96 -0.47 -0.38 118.68 122.42 2x77 s LEU 124 Ca 0.59 -1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 2x77 s LEU 124 Cb -0.41 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2x77 s LEU 124 CO 0.53 -0.22 0.14 -0.22 -1.32 0.00 0.00 176.35 175.26 2x77 s LEU 125 N 1.34 3.83 -0.26 -0.68 2.96 -0.05 -2.12 118.68 123.70 2x77 s LEU 125 Ca -0.06 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 2x77 s LEU 125 Cb -0.19 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2x77 s LEU 125 CO -0.06 -0.03 0.13 -0.63 -1.32 0.00 0.00 176.35 174.44 2x77 s ILE 126 N 1.60 4.85 -0.42 6.68 1.01 0.21 0.07 121.20 135.19 2x77 s ILE 126 Ca 0.07 0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 2x77 s ILE 126 Cb -0.15 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.05 2x77 s ILE 126 CO 0.08 0.30 0.37 -0.36 0.00 0.00 0.00 174.94 175.33 2x77 s PHE 127 N 1.64 3.21 -0.90 3.97 0.08 -0.53 -0.47 117.98 124.97 2x77 s PHE 127 Ca 0.07 -0.53 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 2x77 s PHE 127 Cb -0.15 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2x77 s PHE 127 CO 0.07 -0.66 1.34 0.00 -0.10 0.00 0.00 175.22 175.87 2x77 s ALA 128 N 1.88 2.79 0.55 5.36 0.00 -0.08 -1.48 121.76 130.79 2x77 s ALA 128 Ca 0.08 -1.97 0.01 0.00 0.00 0.00 0.00 51.96 50.09 2x77 s ALA 128 Cb -0.19 -4.37 0.04 0.00 0.00 0.00 0.00 23.12 18.60 2x77 s ALA 128 CO 0.11 -3.41 0.78 1.21 0.00 0.00 0.00 175.76 174.44 2x77 s ASN 129 N 4.39 5.25 -1.35 0.00 2.47 0.36 -1.07 114.94 124.98 2x77 s ASN 129 Ca 0.40 -0.05 -0.08 0.00 0.42 0.00 0.00 52.86 53.56 2x77 s ASN 129 Cb -0.04 -0.82 0.02 0.00 -1.45 0.00 0.00 41.25 38.96 2x77 s ASN 129 CO -0.00 -1.16 1.09 0.29 -3.72 0.00 0.00 177.10 173.60 2x77 n LYS 130 N -2.34 -7.18 0.01 0.43 5.02 -0.65 -1.42 118.16 112.03 2x77 n LYS 130 Ca 0.08 0.78 0.12 0.00 -2.02 0.00 0.00 58.31 57.28 2x77 n LYS 130 Cb 0.60 -5.78 0.52 0.00 -0.02 0.00 0.00 35.03 30.35 2x77 n LYS 130 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2x77 n GLN 131 N -4.76 0.02 0.32 1.97 1.13 -0.49 -2.70 117.38 112.87 2x77 n GLN 131 Ca -0.06 0.09 0.19 0.00 -1.94 0.00 0.00 57.00 55.28 2x77 n GLN 131 Cb 0.58 -1.52 1.06 0.00 0.11 0.00 0.00 30.24 30.47 2x77 n GLN 131 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2x77 h ASP 132 N 0.00 0.00 -3.38 1.08 3.04 -1.91 -3.43 116.42 111.81 2x77 h ASP 132 Ca 0.00 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.21 2x77 h ASP 132 Cb 0.44 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 38.64 2x77 h ASP 132 CO 0.00 0.01 -0.09 -0.76 -2.04 0.00 0.00 179.24 176.36 2x77 s LEU 133 N -6.68 4.23 0.63 0.15 1.43 -1.10 -4.96 118.68 112.38 2x77 s LEU 133 Ca -0.04 0.78 0.40 0.00 -1.03 0.00 0.00 54.13 54.23 2x77 s LEU 133 Cb 0.13 -2.72 2.11 0.00 0.03 0.00 0.00 46.19 45.75 2x77 s LEU 133 CO 0.47 -0.08 2.27 -0.65 0.23 0.00 0.00 176.35 178.60 2x77 h PRO 134 N 7.02 0.00 -0.57 1.29 0.11 -1.90 0.15 132.00 138.10 2x77 h PRO 134 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2x77 h PRO 134 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2x77 h PRO 134 CO 0.75 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 2x77 n ASP 135 N -3.21 2.41 -4.71 -2.05 5.75 -1.26 -4.94 116.55 108.55 2x77 n ASP 135 Ca -0.02 -2.20 -0.42 0.00 -0.01 0.00 0.00 54.79 52.14 2x77 n ASP 135 Cb 0.13 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 39.79 2x77 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x77 s ALA 136 N -1.67 3.51 0.56 2.12 0.00 0.04 -4.59 121.76 121.72 2x77 s ALA 136 Ca 0.23 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 2x77 s ALA 136 Cb 0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2x77 s ALA 136 CO 0.11 -0.61 1.24 0.00 0.00 0.00 0.00 175.76 176.50 2x77 s ALA 137 N 1.39 2.69 0.92 0.00 0.00 0.08 -4.97 121.76 121.88 2x77 s ALA 137 Ca 0.62 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.55 2x77 s ALA 137 Cb -0.32 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.48 2x77 s ALA 137 CO 0.29 -1.13 1.12 0.45 0.00 0.00 0.00 175.76 176.49 2x77 s SER 138 N -1.39 2.92 0.23 0.00 0.15 -1.26 -4.77 113.70 109.57 2x77 s SER 138 Ca 0.74 2.03 -0.06 0.00 0.70 0.00 0.00 55.95 59.35 2x77 s SER 138 Cb -0.33 -2.51 0.21 0.00 -1.71 0.00 0.00 66.02 61.68 2x77 s SER 138 CO 0.37 -3.08 1.76 -0.08 1.20 0.00 0.00 173.24 173.41 2x77 h GLU 139 N -1.85 1.05 0.00 5.44 4.81 -1.99 -0.09 114.58 121.95 2x77 h GLU 139 Ca -0.46 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.37 2x77 h GLU 139 Cb 1.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2x77 h GLU 139 CO 0.45 0.92 -0.78 0.00 -0.73 0.00 0.00 179.01 178.86 2x77 h ALA 140 N 1.18 0.61 -0.52 2.92 0.00 -1.99 -2.44 119.26 119.02 2x77 h ALA 140 Ca 0.21 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2x77 h ALA 140 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2x77 h ALA 140 CO -0.00 0.98 0.10 0.93 0.00 0.00 0.00 179.25 181.26 2x77 h GLU 141 N 0.00 0.86 0.14 0.00 5.08 -1.77 -2.54 114.58 116.35 2x77 h GLU 141 Ca -0.01 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2x77 h GLU 141 Cb 1.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2x77 h GLU 141 CO 0.10 0.83 -0.07 0.82 -1.00 0.00 0.00 179.01 179.70 2x77 h ILE 142 N 0.74 0.92 -0.57 3.13 1.08 -1.05 -1.97 117.51 119.79 2x77 h ILE 142 Ca 0.16 -0.28 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 2x77 h ILE 142 Cb 0.38 1.10 -0.11 0.00 -3.07 0.00 0.00 36.82 35.12 2x77 h ILE 142 CO 0.01 0.07 -0.18 0.00 -0.69 0.00 0.00 178.15 177.36 2x77 h ALA 143 N 0.51 0.31 -0.43 1.87 0.00 -1.40 0.21 119.26 120.33 2x77 h ALA 143 Ca -0.02 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2x77 h ALA 143 Cb 0.26 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2x77 h ALA 143 CO 0.03 -0.47 0.21 1.49 0.00 0.00 0.00 179.25 180.51 2x77 h GLU 144 N -0.04 0.41 0.00 0.00 4.81 -1.45 -0.57 114.58 117.75 2x77 h GLU 144 Ca 0.27 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2x77 h GLU 144 Cb 0.45 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2x77 h GLU 144 CO -0.61 0.27 -0.54 1.96 -0.73 0.00 0.00 179.01 179.37 2x77 h GLN 145 N 0.43 0.00 -0.09 1.92 4.20 -0.33 -2.42 115.11 118.80 2x77 h GLN 145 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2x77 h GLN 145 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2x77 h GLN 145 CO -0.13 0.54 0.00 1.28 -0.67 0.00 0.00 178.83 179.85 2x77 n LEU 146 N -3.43 0.90 -4.16 1.46 4.77 0.58 -4.60 117.00 112.54 2x77 n LEU 146 Ca 0.00 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.30 2x77 n LEU 146 Cb 0.66 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2x77 n LEU 146 CO 0.40 0.19 -0.27 0.61 -1.33 0.00 0.00 177.39 176.99 2x77 n GLY 147 N 0.96 -0.24 0.30 -0.72 0.00 -0.91 -4.84 105.19 99.74 2x77 n GLY 147 Ca 0.15 0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.49 2x77 n GLY 147 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2x77 h VAL 148 N -1.69 0.28 0.00 1.61 2.07 -1.38 -2.63 116.25 114.51 2x77 h VAL 148 Ca -0.63 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2x77 h VAL 148 Cb 1.39 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2x77 h VAL 148 CO 0.70 0.03 0.00 0.77 0.02 0.00 0.00 177.57 179.09 2x77 h SER 149 N 0.00 0.00 0.09 0.57 4.64 -1.89 -1.02 113.55 115.94 2x77 h SER 149 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2x77 h SER 149 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2x77 h SER 149 CO 0.00 0.00 -0.12 -1.20 -0.87 0.00 0.00 176.83 174.65 2x77 n SER 150 N -2.89 1.38 -4.77 4.97 7.64 -0.99 -4.92 113.62 114.04 2x77 n SER 150 Ca -0.01 -1.27 -0.39 0.00 1.01 0.00 0.00 58.87 58.20 2x77 n SER 150 Cb 0.17 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 2x77 n SER 150 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2x77 s ILE 151 N -2.22 2.82 0.13 0.44 1.01 -0.39 -5.02 121.20 117.97 2x77 s ILE 151 Ca 0.32 0.73 0.06 0.00 0.00 0.00 0.00 60.65 61.75 2x77 s ILE 151 Cb 0.20 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2x77 s ILE 151 CO 0.41 0.10 -0.13 -0.04 0.00 0.00 0.00 174.94 175.28 2x77 s MET 152 N -2.18 1.04 -0.73 2.79 -1.94 -1.26 -4.86 119.30 112.16 2x77 s MET 152 Ca 0.56 -1.28 -0.03 0.00 -1.71 0.00 0.00 55.69 53.22 2x77 s MET 152 Cb -0.36 -0.87 0.03 0.00 2.01 0.00 0.00 34.83 35.64 2x77 s MET 152 CO 0.46 0.16 0.13 0.09 -0.01 0.00 0.00 175.02 175.85 2x77 n ASN 153 N 0.39 -2.57 -3.85 3.03 3.02 -1.26 -4.90 115.26 109.13 2x77 n ASN 153 Ca -0.14 0.11 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 2x77 n ASN 153 Cb 0.58 -2.23 -0.11 0.00 -0.61 0.00 0.00 39.78 37.41 2x77 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x77 s ARG 154 N -5.35 0.40 -0.31 3.52 1.70 -1.26 -4.81 118.95 112.84 2x77 s ARG 154 Ca 0.13 -0.18 -0.29 0.00 -0.47 0.00 0.00 55.73 54.92 2x77 s ARG 154 Cb -0.07 0.17 -0.00 0.00 -0.57 0.00 0.00 34.95 34.48 2x77 s ARG 154 CO 0.16 -0.09 1.44 0.99 -1.08 0.00 0.00 175.30 176.72 2x77 s THR 155 N -0.90 3.92 0.05 4.99 2.01 -1.26 -4.96 115.64 119.49 2x77 s THR 155 Ca -0.10 1.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.88 2x77 s THR 155 Cb -0.05 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2x77 s THR 155 CO 0.01 -0.50 0.03 -1.66 -0.69 0.00 0.00 174.62 171.80 2x77 s TRP 156 N 5.03 0.39 0.22 4.92 1.48 -1.26 -1.37 118.94 128.36 2x77 s TRP 156 Ca 0.63 -0.87 -0.20 0.00 -1.06 0.00 0.00 56.10 54.59 2x77 s TRP 156 Cb -0.18 -0.28 0.04 0.00 -1.16 0.00 0.00 33.47 31.88 2x77 s TRP 156 CO 0.28 -0.39 0.62 -0.08 -4.06 0.00 0.00 176.95 173.31 2x77 s THR 157 N -3.57 0.01 -0.12 0.66 -1.32 -0.90 -5.00 115.64 105.39 2x77 s THR 157 Ca 0.03 -0.65 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 2x77 s THR 157 Cb 0.05 -1.59 -0.01 0.00 -1.51 0.00 0.00 72.50 69.44 2x77 s THR 157 CO -0.09 -0.03 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.50 2x77 s ILE 158 N -3.86 2.83 -0.07 5.08 1.01 -1.26 -0.62 121.20 124.31 2x77 s ILE 158 Ca 0.08 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2x77 s ILE 158 Cb -0.03 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2x77 s ILE 158 CO -0.02 0.53 -0.18 -0.69 0.00 0.00 0.00 174.94 174.58 2x77 s VAL 159 N 0.36 1.56 0.23 2.92 1.01 0.38 -4.96 120.40 121.89 2x77 s VAL 159 Ca -0.13 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2x77 s VAL 159 Cb -0.16 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.77 2x77 s VAL 159 CO 0.06 0.45 1.19 -0.54 0.00 0.00 0.00 175.10 176.26 2x77 s LYS 160 N 0.28 4.51 0.16 2.72 1.02 -1.26 -0.90 119.74 126.26 2x77 s LYS 160 Ca -0.11 1.91 -0.12 0.00 0.02 0.00 0.00 55.97 57.67 2x77 s LYS 160 Cb -0.15 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2x77 s LYS 160 CO 0.05 -0.04 0.36 -1.54 -0.92 0.00 0.00 175.35 173.26 2x77 s SER 161 N -0.17 -0.08 -0.21 2.83 1.04 -0.23 -4.21 113.70 112.67 2x77 s SER 161 Ca 0.51 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 56.13 2x77 s SER 161 Cb -0.34 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.31 2x77 s SER 161 CO 0.40 -0.91 0.54 -0.55 0.98 0.00 0.00 173.24 173.69 2x77 s SER 162 N -2.90 -0.62 0.28 7.02 0.15 -0.58 -1.40 113.70 115.65 2x77 s SER 162 Ca 0.11 1.13 0.19 0.00 0.70 0.00 0.00 55.95 58.07 2x77 s SER 162 Cb 0.02 1.09 0.10 0.00 -1.71 0.00 0.00 66.02 65.52 2x77 s SER 162 CO -0.04 -0.20 1.34 0.28 1.20 0.00 0.00 173.24 175.82 2x77 h SER 163 N 5.99 0.00 0.15 5.45 0.02 -1.92 -0.19 113.55 123.05 2x77 h SER 163 Ca -0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2x77 h SER 163 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2x77 h SER 163 CO 0.19 0.30 -0.07 0.50 -1.14 0.00 0.00 176.83 176.61 2x77 h LYS 164 N 0.00 -0.20 0.00 3.45 3.64 -1.96 -3.25 116.57 118.26 2x77 h LYS 164 Ca -0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2x77 h LYS 164 Cb 1.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2x77 h LYS 164 CO 0.04 0.14 -0.50 0.25 -2.27 0.00 0.00 179.45 177.11 2x77 n THR 165 N -5.02 0.02 -0.39 1.00 -2.24 -1.26 -4.97 114.28 101.42 2x77 n THR 165 Ca -0.09 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2x77 n THR 165 Cb 0.22 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2x77 n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x77 n GLY 166 N 1.49 1.42 3.77 3.38 0.00 -0.09 -5.00 105.19 110.15 2x77 n GLY 166 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2x77 n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2x77 s ASP 167 N -3.05 6.04 0.00 1.61 1.01 -1.16 -3.35 116.67 117.77 2x77 s ASP 167 Ca 0.00 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.09 2x77 s ASP 167 Cb 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2x77 s ASP 167 CO 0.00 -1.06 0.00 0.61 0.21 0.00 0.00 175.17 174.93 2x77 n GLY 168 N 0.61 2.95 0.10 0.21 0.00 -1.26 -1.52 105.19 106.27 2x77 n GLY 168 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2x77 n GLY 168 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2x77 h LEU 169 N 0.00 0.19 -0.58 0.99 3.38 -1.82 -0.01 115.31 117.46 2x77 h LEU 169 Ca 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2x77 h LEU 169 Cb 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2x77 h LEU 169 CO 0.00 0.42 0.26 0.58 0.09 0.00 0.00 178.44 179.79 2x77 h VAL 170 N -0.04 1.22 -0.67 1.22 2.07 -1.90 0.73 116.25 118.87 2x77 h VAL 170 Ca 0.04 -0.63 0.13 0.00 0.82 0.00 0.00 66.70 67.06 2x77 h VAL 170 Cb 0.31 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 2x77 h VAL 170 CO 0.00 0.25 0.17 -0.08 0.02 0.00 0.00 177.57 177.94 2x77 h GLU 171 N 0.80 0.28 -0.05 1.57 4.81 -1.90 0.17 114.58 120.27 2x77 h GLU 171 Ca 0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2x77 h GLU 171 Cb 0.15 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2x77 h GLU 171 CO -0.02 0.19 -0.00 0.78 -0.73 0.00 0.00 179.01 179.22 2x77 h GLY 172 N 0.29 0.09 1.01 1.92 0.00 -0.16 -0.18 103.07 106.04 2x77 h GLY 172 Ca 0.37 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.66 2x77 h GLY 172 CO -0.44 0.06 0.60 -0.33 0.00 0.00 0.00 176.54 176.43 2x77 h MET 173 N -0.22 1.14 -0.54 4.80 2.86 -0.50 -1.92 114.93 120.54 2x77 h MET 173 Ca 0.01 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 2x77 h MET 173 Cb 0.34 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2x77 h MET 173 CO 0.00 0.76 -0.07 0.22 1.06 0.00 0.00 176.91 178.88 2x77 h ASP 174 N 1.18 1.00 0.34 1.22 3.58 -0.52 0.12 116.42 123.34 2x77 h ASP 174 Ca 0.36 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2x77 h ASP 174 Cb -0.03 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 2x77 h ASP 174 CO -0.10 1.10 -0.51 -0.25 -2.88 0.00 0.00 179.24 176.60 2x77 h TRP 175 N 0.88 -1.43 -0.60 0.28 7.01 -0.49 -2.23 115.95 119.37 2x77 h TRP 175 Ca 0.15 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.29 2x77 h TRP 175 Cb 0.63 0.58 -0.12 0.00 -2.10 0.00 0.00 29.16 28.15 2x77 h TRP 175 CO 0.04 -0.63 -0.21 -0.07 -2.79 0.00 0.00 178.44 174.78 2x77 h LEU 176 N -0.89 -0.76 -0.98 0.65 3.38 -1.10 -1.44 115.31 114.17 2x77 h LEU 176 Ca -0.03 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2x77 h LEU 176 Cb 0.82 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 2x77 h LEU 176 CO -0.16 -0.24 0.62 0.58 0.09 0.00 0.00 178.44 179.33 2x77 h VAL 177 N -0.06 1.05 0.00 1.22 2.07 -0.39 0.95 116.25 121.08 2x77 h VAL 177 Ca 0.28 -0.38 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 2x77 h VAL 177 Cb 0.49 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2x77 h VAL 177 CO -0.65 0.20 -1.17 -0.33 0.02 0.00 0.00 177.57 175.64 2x77 h GLU 178 N 1.10 0.00 -0.32 1.57 4.39 -1.15 -2.98 114.58 117.20 2x77 h GLU 178 Ca 0.44 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.97 2x77 h GLU 178 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2x77 h GLU 178 CO -0.19 0.67 -0.45 0.00 -1.16 0.00 0.00 179.01 177.88 2x77 h ARG 179 N 0.00 0.82 0.29 2.33 2.47 -0.78 -1.21 114.38 118.30 2x77 h ARG 179 Ca -0.11 -0.46 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 2x77 h ARG 179 Cb 1.74 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 30.06 2x77 h ARG 179 CO 0.09 1.10 -0.36 -0.07 0.56 0.00 0.00 179.97 181.28 2x77 h LEU 180 N 0.66 -1.01 -1.49 3.04 3.38 -0.84 -2.76 115.31 116.28 2x77 h LEU 180 Ca 0.04 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2x77 h LEU 180 Cb 1.03 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2x77 h LEU 180 CO 0.10 -0.49 0.38 -0.09 0.09 0.00 0.00 178.44 178.44 2x77 h ARG 181 N -0.70 0.64 0.00 1.13 2.43 -1.48 -0.20 114.38 116.20 2x77 h ARG 181 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2x77 h ARG 181 Cb 0.66 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2x77 h ARG 181 CO -0.11 0.42 0.12 1.49 -1.51 0.00 0.00 179.97 180.38 2x77 h GLU 182 N 0.65 0.00 0.00 0.20 4.81 -0.92 0.11 114.58 119.44 2x77 h GLU 182 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2x77 h GLU 182 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2x77 h GLU 182 CO -0.06 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.26 2x77 n GLN 183 N -2.45 0.34 -0.49 1.92 6.02 -0.08 -5.09 117.38 117.53 2x77 n GLN 183 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2x77 n GLN 183 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2x77 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46