#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6x n ILE 2 N 0.00 0.00 -0.05 0.00 2.08 -1.26 -5.00 119.36 115.13 2i6x n ILE 2 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 2i6x n ILE 2 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.80 2i6x n ILE 2 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2i6x n ARG 3 N 0.00 1.84 -4.49 0.38 1.74 0.49 -5.02 116.66 111.59 2i6x n ARG 3 Ca 0.00 -0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 2i6x n ARG 3 Cb 0.00 -1.29 -0.14 0.00 -1.02 0.00 0.00 32.46 30.02 2i6x n ARG 3 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2i6x s ASN 4 N -4.18 2.11 -0.03 0.55 0.01 -0.85 -2.00 114.94 110.55 2i6x s ASN 4 Ca -0.05 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.61 2i6x s ASN 4 Cb 0.04 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.56 2i6x s ASN 4 CO 0.46 0.10 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.45 2i6x s ILE 5 N -0.84 0.65 -0.09 0.60 1.01 -0.21 -0.67 121.20 121.65 2i6x s ILE 5 Ca 0.05 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2i6x s ILE 5 Cb -0.08 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 2i6x s ILE 5 CO 0.02 0.23 -0.24 -0.69 0.00 0.00 0.00 174.94 174.26 2i6x s VAL 6 N 0.52 2.08 0.03 2.92 1.01 0.34 -1.11 120.40 126.18 2i6x s VAL 6 Ca -0.08 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 60.95 2i6x s VAL 6 Cb -0.11 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2i6x s VAL 6 CO 0.01 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.12 2i6x s PHE 7 N 0.26 2.55 0.74 5.22 0.08 -0.01 -0.63 117.98 126.19 2i6x s PHE 7 Ca -0.16 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.51 2i6x s PHE 7 Cb -0.17 -1.48 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 2i6x s PHE 7 CO 0.08 0.22 1.12 0.34 -0.10 0.00 0.00 175.22 176.89 2i6x s ASP 8 N -1.32 5.10 0.00 1.36 2.15 -0.19 -0.54 116.67 123.23 2i6x s ASP 8 Ca 0.14 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.17 2i6x s ASP 8 Cb -0.10 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 2i6x s ASP 8 CO 0.04 -1.56 0.00 -0.11 -0.17 0.00 0.00 175.17 173.38 2i6x n LEU 9 N -3.13 0.22 -4.73 -1.34 7.94 -1.26 -4.04 117.00 110.65 2i6x n LEU 9 Ca 0.07 0.09 -0.42 0.00 -1.11 0.00 0.00 56.01 54.64 2i6x n LEU 9 Cb 0.58 -0.36 -0.02 0.00 0.53 0.00 0.00 43.42 44.15 2i6x n LEU 9 CO 0.57 -0.36 1.27 0.61 -1.11 0.00 0.00 177.39 178.37 2i6x n GLY 10 N 1.88 1.36 1.70 -3.96 0.00 -1.26 -0.36 105.19 104.55 2i6x n GLY 10 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2i6x n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i6x n GLY 11 N 2.69 2.33 0.08 -0.02 0.00 0.97 -4.66 105.19 106.58 2i6x n GLY 11 Ca 0.11 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2i6x n GLY 11 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2i6x h VAL 12 N 0.00 1.30 0.00 1.61 2.07 -1.78 -3.26 116.25 116.19 2i6x h VAL 12 Ca 0.00 -1.68 -0.26 0.00 0.82 0.00 0.00 66.70 65.59 2i6x h VAL 12 Cb 0.00 2.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2i6x h VAL 12 CO 0.00 0.39 -1.96 0.18 0.02 0.00 0.00 177.57 176.20 2i6x n LEU 13 N -4.75 0.22 -4.14 2.57 4.77 0.52 -4.88 117.00 111.31 2i6x n LEU 13 Ca -0.08 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.56 2i6x n LEU 13 Cb 0.33 0.27 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 2i6x n LEU 13 CO 0.28 0.38 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.57 2i6x s ILE 14 N -2.34 2.13 0.01 -0.08 1.01 -0.54 -1.91 121.20 119.48 2i6x s ILE 14 Ca -0.08 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 2i6x s ILE 14 Cb 0.04 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2i6x s ILE 14 CO 0.56 0.54 1.09 -1.00 0.00 0.00 0.00 174.94 176.12 2i6x s HIS 15 N 1.22 3.52 0.13 3.97 3.76 0.21 -0.02 115.29 128.08 2i6x s HIS 15 Ca 0.03 1.49 0.02 0.00 -0.15 0.00 0.00 55.06 56.45 2i6x s HIS 15 Cb -0.13 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.25 2i6x s HIS 15 CO -0.11 -0.65 0.26 -0.51 -0.85 0.00 0.00 174.74 172.89 2i6x s LEU 16 N 1.21 4.31 -0.35 0.89 1.43 -1.26 -0.76 118.68 124.16 2i6x s LEU 16 Ca 0.55 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 2i6x s LEU 16 Cb -0.24 -2.89 0.14 0.00 0.03 0.00 0.00 46.19 43.23 2i6x s LEU 16 CO 0.27 0.07 0.23 0.21 0.23 0.00 0.00 176.35 177.36 2i6x s ASN 17 N -3.11 2.76 0.23 2.29 3.84 0.11 -4.79 114.94 116.27 2i6x s ASN 17 Ca 0.34 -2.10 -0.02 0.00 0.21 0.00 0.00 52.86 51.29 2i6x s ASN 17 Cb -0.11 -0.28 0.24 0.00 -0.55 0.00 0.00 41.25 40.55 2i6x s ASN 17 CO 0.28 -0.31 1.63 0.08 -2.79 0.00 0.00 177.10 175.99 2i6x h ARG 18 N 7.04 0.61 -0.05 0.43 0.11 -1.88 -3.09 114.38 117.56 2i6x h ARG 18 Ca 0.06 -0.27 -0.05 0.00 0.10 0.00 0.00 59.98 59.81 2i6x h ARG 18 Cb 0.98 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 2i6x h ARG 18 CO 0.25 0.85 -0.21 0.93 0.10 0.00 0.00 179.97 181.90 2i6x h GLU 19 N 0.52 0.07 -0.11 0.08 4.39 -1.95 0.13 114.58 117.71 2i6x h GLU 19 Ca 0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2i6x h GLU 19 Cb 0.81 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2i6x h GLU 19 CO 0.07 0.29 0.01 1.49 -1.16 0.00 0.00 179.01 179.70 2i6x h GLU 20 N 0.07 0.19 -0.97 2.33 4.57 -1.81 0.14 114.58 119.11 2i6x h GLU 20 Ca 0.01 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2i6x h GLU 20 Cb 0.42 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 2i6x h GLU 20 CO 0.03 0.42 0.64 1.03 -1.18 0.00 0.00 179.01 179.95 2i6x h SER 21 N -0.06 1.07 -0.88 1.04 0.87 -1.44 -1.21 113.55 112.94 2i6x h SER 21 Ca 0.03 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2i6x h SER 21 Cb 0.33 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 2i6x h SER 21 CO 0.00 0.74 0.56 0.40 -0.53 0.00 0.00 176.83 178.01 2i6x h ILE 22 N 1.24 1.13 -0.00 2.23 1.08 -0.38 -1.11 117.51 121.70 2i6x h ILE 22 Ca 0.38 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2i6x h ILE 22 Cb -0.03 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 33.67 2i6x h ILE 22 CO -0.11 0.20 0.00 -0.09 -0.69 0.00 0.00 178.15 177.46 2i6x h ARG 23 N 1.09 0.00 -0.57 2.37 2.43 0.01 -1.82 114.38 117.90 2i6x h ARG 23 Ca 0.35 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2i6x h ARG 23 Cb 0.02 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2i6x h ARG 23 CO -0.12 0.00 0.17 0.00 -1.51 0.00 0.00 179.97 178.51 2i6x h ARG 24 N 0.00 0.88 -0.77 0.20 3.08 -1.00 -1.95 114.38 114.83 2i6x h ARG 24 Ca 0.00 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.88 2i6x h ARG 24 Cb -0.00 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 2i6x h ARG 24 CO -0.00 0.80 0.50 0.74 -1.07 0.00 0.00 179.97 180.94 2i6x h PHE 25 N 0.80 0.94 -0.43 3.04 0.04 -1.14 -2.25 116.94 117.94 2i6x h PHE 25 Ca 0.18 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.00 2i6x h PHE 25 Cb 0.29 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 2i6x h PHE 25 CO 0.02 0.57 0.25 0.87 -0.60 0.00 0.00 178.31 179.42 2i6x h LYS 26 N 1.00 0.49 0.00 1.51 1.57 -1.10 -0.75 116.57 119.29 2i6x h LYS 26 Ca 0.29 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2i6x h LYS 26 Cb -0.06 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2i6x h LYS 26 CO -0.08 0.33 -0.04 0.00 -0.57 0.00 0.00 179.45 179.08 2i6x h ALA 27 N 1.19 1.34 -0.63 3.86 0.00 -0.79 -0.81 119.26 123.43 2i6x h ALA 27 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2i6x h ALA 27 Cb 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2i6x h ALA 27 CO -0.08 0.05 0.11 0.44 0.00 0.00 0.00 179.25 179.77 2i6x n ILE 28 N -3.63 2.83 -0.37 0.00 -5.35 -0.95 -4.95 119.36 106.93 2i6x n ILE 28 Ca -0.02 -1.53 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 2i6x n ILE 28 Cb 0.14 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 2i6x n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i6x n GLY 29 N 0.27 0.95 3.56 3.28 0.00 -0.31 -4.98 105.19 107.96 2i6x n GLY 29 Ca 0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.92 2i6x n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i6x s VAL 30 N -2.88 4.18 0.14 1.61 1.01 -0.32 -4.79 120.40 119.35 2i6x s VAL 30 Ca 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 61.98 60.18 2i6x s VAL 30 Cb 0.00 -5.14 -0.18 0.00 0.00 0.00 0.00 36.38 31.06 2i6x s VAL 30 CO 0.00 -1.97 1.32 0.00 0.00 0.00 0.00 175.10 174.44 2i6x h ALA 31 N 7.93 0.39 -0.47 5.51 0.00 -1.85 -3.04 119.26 127.72 2i6x h ALA 31 Ca 0.39 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 2i6x h ALA 31 Cb 0.90 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 2i6x h ALA 31 CO 1.43 0.86 0.22 -0.25 0.00 0.00 0.00 179.25 181.50 2i6x n ASP 32 N -3.71 3.57 -0.35 0.00 8.00 -1.26 -4.57 116.55 118.23 2i6x n ASP 32 Ca -0.06 -2.76 0.01 0.00 0.71 0.00 0.00 54.79 52.69 2i6x n ASP 32 Cb 0.84 -0.66 0.15 0.00 -0.02 0.00 0.00 41.12 41.43 2i6x n ASP 32 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2i6x h ILE 33 N 1.33 1.11 -0.78 0.53 6.09 -1.93 -2.95 117.51 120.91 2i6x h ILE 33 Ca 0.21 -0.40 -0.02 0.00 -1.37 0.00 0.00 64.86 63.28 2i6x h ILE 33 Cb 1.77 -0.15 -0.04 0.00 0.47 0.00 0.00 36.82 38.88 2i6x h ILE 33 CO 0.49 0.21 0.41 -0.08 -3.07 0.00 0.00 178.15 176.10 2i6x h GLU 34 N 1.15 1.11 -1.81 2.19 4.81 -1.87 0.98 114.58 121.14 2i6x h GLU 34 Ca 0.40 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2i6x h GLU 34 Cb 0.11 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2i6x h GLU 34 CO -0.16 0.84 0.00 -0.85 -0.73 0.00 0.00 179.01 178.11 2i6x n GLU 35 N -4.40 0.79 0.00 1.92 0.28 -1.11 -2.69 120.64 115.43 2i6x n GLU 35 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2i6x n GLU 35 Cb 0.11 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 31.88 2i6x n GLU 35 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2i6x n LEU 37 N 1.36 0.00 -4.82 -1.84 4.32 0.34 -4.87 117.00 111.49 2i6x n LEU 37 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 2i6x n LEU 37 Cb 0.39 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.13 2i6x n LEU 37 CO 0.00 0.00 0.20 -0.62 -1.22 0.00 0.00 177.39 175.75 2i6x s ASP 38 N 0.00 6.95 -0.27 -1.43 2.15 -1.09 -5.19 116.67 117.79 2i6x s ASP 38 Ca 0.00 1.13 -0.29 0.00 0.43 0.00 0.00 52.55 53.82 2i6x s ASP 38 Cb 0.00 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 2i6x s ASP 38 CO 0.00 0.29 1.85 -2.84 -0.17 0.00 0.00 175.17 174.30 2i6x s PRO 39 N -1.06 3.43 0.08 4.34 0.02 -1.26 -5.16 135.00 135.40 2i6x s PRO 39 Ca 0.27 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2i6x s PRO 39 Cb -0.18 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.14 2i6x s PRO 39 CO 0.16 -1.74 0.00 1.63 -0.33 0.00 0.00 177.00 176.72 2i6x n LYS 43 N 8.29 -1.57 0.00 5.54 4.76 -1.26 -5.30 118.16 128.63 2i6x n LYS 43 Ca 0.23 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.79 2i6x n LYS 43 Cb 0.46 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 2i6x n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2i6x n GLY 44 N 1.13 4.43 0.20 0.72 0.00 -1.26 -4.88 105.19 105.54 2i6x n GLY 44 Ca 0.00 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.14 2i6x n GLY 44 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2i6x h LEU 45 N 0.00 0.00 -1.28 0.99 8.10 -2.00 -2.05 115.31 119.07 2i6x h LEU 45 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2i6x h LEU 45 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2i6x h LEU 45 CO 0.00 0.24 -0.03 -0.26 -4.11 0.00 0.00 178.44 174.28 2i6x h PHE 46 N 0.00 0.46 -0.26 0.17 0.04 -1.98 -1.10 116.94 114.27 2i6x h PHE 46 Ca -0.00 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 2i6x h PHE 46 Cb 0.95 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 2i6x h PHE 46 CO 0.00 0.48 -0.34 1.25 -0.60 0.00 0.00 178.31 179.11 2i6x h LEU 47 N 0.43 0.59 -1.36 1.54 5.85 -1.78 -2.33 115.31 118.25 2i6x h LEU 47 Ca 0.09 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2i6x h LEU 47 Cb 0.33 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2i6x h LEU 47 CO 0.01 0.89 -0.06 0.44 -0.34 0.00 0.00 178.44 179.38 2i6x h ASP 48 N 0.48 0.33 -0.27 1.25 3.32 -0.91 -1.46 116.42 119.17 2i6x h ASP 48 Ca 0.05 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2i6x h ASP 48 Cb 0.82 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2i6x h ASP 48 CO 0.07 0.44 -0.13 0.25 -1.72 0.00 0.00 179.24 178.14 2i6x h LEU 49 N 0.34 0.58 -0.44 1.55 5.85 -0.89 -1.55 115.31 120.74 2i6x h LEU 49 Ca 0.07 -0.41 -0.16 0.00 0.84 0.00 0.00 57.88 58.22 2i6x h LEU 49 Cb 0.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2i6x h LEU 49 CO 0.01 0.86 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.19 2i6x h GLU 50 N 0.29 0.79 -0.00 1.25 5.08 -1.17 -3.22 114.58 117.61 2i6x h GLU 50 Ca 0.06 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2i6x h GLU 50 Cb 0.65 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2i6x h GLU 50 CO 0.04 1.08 -0.19 -1.13 -1.00 0.00 0.00 179.01 177.81 2i6x n SER 51 N -4.02 0.24 0.00 1.42 3.41 -0.57 0.12 113.62 114.22 2i6x n SER 51 Ca -0.03 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2i6x n SER 51 Cb 0.57 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2i6x n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i6x n GLY 52 N 1.47 1.51 0.26 5.00 0.00 -1.05 -3.27 105.19 109.11 2i6x n GLY 52 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 2i6x n GLY 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2i6x h ARG 53 N 2.95 0.76 -5.53 1.61 2.43 -1.61 -3.36 114.38 111.63 2i6x h ARG 53 Ca 0.00 -0.05 -0.64 0.00 -0.81 0.00 0.00 59.98 58.48 2i6x h ARG 53 Cb 0.00 -0.17 -0.14 0.00 -0.42 0.00 0.00 29.97 29.24 2i6x h ARG 53 CO 0.00 0.51 -0.56 0.15 -1.51 0.00 0.00 179.97 178.55 2i6x s LYS 54 N -6.11 3.61 1.09 0.20 1.02 -0.74 -5.04 119.74 113.76 2i6x s LYS 54 Ca -0.13 -0.32 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 2i6x s LYS 54 Cb 0.15 -3.09 0.24 0.00 -0.52 0.00 0.00 37.83 34.61 2i6x s LYS 54 CO 0.76 0.49 1.06 -1.54 -0.92 0.00 0.00 175.35 175.20 2i6x s SER 55 N -0.24 1.59 0.13 2.83 1.04 -1.26 -4.40 113.70 113.39 2i6x s SER 55 Ca 0.08 1.56 -0.21 0.00 0.48 0.00 0.00 55.95 57.86 2i6x s SER 55 Cb -0.12 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 2i6x s SER 55 CO 0.01 -3.83 1.68 -0.08 0.98 0.00 0.00 173.24 172.00 2i6x h GLU 56 N -2.37 -0.11 -0.67 4.02 4.22 -1.95 -0.13 114.58 117.58 2i6x h GLU 56 Ca -0.58 0.01 0.08 0.00 0.08 0.00 0.00 59.36 58.95 2i6x h GLU 56 Cb 1.32 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 2i6x h GLU 56 CO 0.50 -0.07 0.33 1.49 -2.18 0.00 0.00 179.01 179.09 2i6x h GLU 57 N -0.11 0.57 -0.47 1.92 4.57 -2.00 -1.87 114.58 117.19 2i6x h GLU 57 Ca 0.10 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.18 2i6x h GLU 57 Cb 0.27 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2i6x h GLU 57 CO -0.24 0.38 0.03 0.93 -1.18 0.00 0.00 179.01 178.93 2i6x h GLU 58 N 0.59 0.81 -0.79 1.92 5.08 -1.79 -2.13 114.58 118.27 2i6x h GLU 58 Ca 0.32 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2i6x h GLU 58 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2i6x h GLU 58 CO -0.25 0.84 0.31 0.35 -1.00 0.00 0.00 179.01 179.27 2i6x h PHE 59 N 0.67 1.21 -0.15 4.33 3.57 -0.68 -1.66 116.94 124.22 2i6x h PHE 59 Ca 0.14 -0.09 -0.22 0.00 3.53 0.00 0.00 57.97 61.33 2i6x h PHE 59 Cb 0.46 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 38.84 2i6x h PHE 59 CO 0.03 0.91 -0.77 -0.09 -2.23 0.00 0.00 178.31 176.17 2i6x h ARG 60 N 1.15 0.75 -0.14 1.11 2.43 -1.32 0.70 114.38 119.06 2i6x h ARG 60 Ca 0.26 -0.61 0.03 0.00 -0.81 0.00 0.00 59.98 58.85 2i6x h ARG 60 Cb 0.22 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2i6x h ARG 60 CO -0.02 1.22 -0.06 1.15 -1.51 0.00 0.00 179.97 180.76 2i6x h THR 61 N 0.52 0.81 -0.38 0.20 2.02 -1.31 0.11 112.91 114.87 2i6x h THR 61 Ca -0.05 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2i6x h THR 61 Cb 1.39 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 2i6x h THR 61 CO 0.16 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.58 2i6x h GLU 62 N -0.03 0.69 -0.43 6.66 4.39 -1.19 -1.77 114.58 122.90 2i6x h GLU 62 Ca 0.08 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 2i6x h GLU 62 Cb 0.15 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2i6x h GLU 62 CO -0.17 0.80 -0.09 1.25 -1.16 0.00 0.00 179.01 179.64 2i6x h LEU 63 N 0.62 0.83 -0.08 1.33 6.46 -0.56 0.04 115.31 123.94 2i6x h LEU 63 Ca 0.11 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.55 2i6x h LEU 63 Cb 0.58 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 2i6x h LEU 63 CO 0.04 0.99 -0.14 0.28 -0.62 0.00 0.00 178.44 178.99 2i6x h SER 64 N 0.65 -0.42 -0.76 1.25 0.02 -0.68 -1.58 113.55 112.03 2i6x h SER 64 Ca 0.11 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2i6x h SER 64 Cb 0.62 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.28 2i6x h SER 64 CO 0.04 -0.19 0.40 -0.09 -1.14 0.00 0.00 176.83 175.86 2i6x h ARG 65 N -0.19 0.66 -0.82 3.45 2.43 -1.10 -0.03 114.38 118.77 2i6x h ARG 65 Ca 0.08 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2i6x h ARG 65 Cb 0.30 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2i6x h ARG 65 CO -0.20 0.44 0.41 -0.92 -1.51 0.00 0.00 179.97 178.19 2i6x h TYR 66 N 0.68 1.16 -0.01 2.20 3.20 -0.46 -2.93 116.97 120.81 2i6x h TYR 66 Ca 0.37 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.19 2i6x h TYR 66 Cb 0.37 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2i6x h TYR 66 CO -0.09 0.83 -0.60 0.44 -1.64 0.00 0.00 178.16 177.10 2i6x n ILE 67 N -4.32 0.00 -3.15 1.81 -5.35 -0.64 -4.97 119.36 102.74 2i6x n ILE 67 Ca 0.08 -0.14 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 2i6x n ILE 67 Cb 0.13 0.95 0.05 0.00 -1.74 0.00 0.00 39.64 39.03 2i6x n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i6x n GLY 68 N 1.44 -0.06 3.64 3.28 0.00 -0.08 -5.03 105.19 108.38 2i6x n GLY 68 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2i6x n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i6x s LYS 69 N -5.61 0.72 -0.10 1.61 2.20 -0.85 -5.05 119.74 112.67 2i6x s LYS 69 Ca 0.28 1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 2i6x s LYS 69 Cb -0.13 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 2i6x s LYS 69 CO 0.48 -0.12 1.13 -1.21 -0.36 0.00 0.00 175.35 175.27 2i6x s GLU 70 N 1.11 4.35 -0.06 4.03 0.41 -1.26 -4.27 118.70 123.01 2i6x s GLU 70 Ca -0.06 1.55 0.02 0.00 -0.41 0.00 0.00 54.97 56.07 2i6x s GLU 70 Cb -0.05 -3.59 -0.03 0.00 -1.78 0.00 0.00 34.13 28.69 2i6x s GLU 70 CO -0.12 -0.46 -0.09 -0.51 -0.49 0.00 0.00 175.26 173.59 2i6x s LEU 71 N 2.41 3.01 0.42 1.80 1.43 -1.26 -5.07 118.68 121.42 2i6x s LEU 71 Ca 0.52 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2i6x s LEU 71 Cb -0.21 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 2i6x s LEU 71 CO 0.18 0.35 0.64 0.42 0.23 0.00 0.00 176.35 178.18 2i6x s THR 72 N -0.75 4.59 0.20 5.49 -4.23 -1.26 -4.90 115.64 114.78 2i6x s THR 72 Ca 0.11 -0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.08 2i6x s THR 72 Cb -0.11 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 70.21 2i6x s THR 72 CO 0.01 -0.51 1.60 0.22 -0.54 0.00 0.00 174.62 175.40 2i6x h TYR 73 N 0.50 -0.73 -0.88 3.99 3.20 -2.00 -2.68 116.97 118.38 2i6x h TYR 73 Ca -0.48 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.46 2i6x h TYR 73 Cb 1.23 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.87 2i6x h TYR 73 CO 0.50 -0.35 0.54 0.37 -1.64 0.00 0.00 178.16 177.57 2i6x h GLN 74 N -0.11 1.19 -0.75 1.82 -0.00 -1.98 0.11 115.11 115.39 2i6x h GLN 74 Ca 0.27 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.79 2i6x h GLN 74 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 27.48 27.73 2i6x h GLN 74 CO -0.69 0.83 0.36 1.96 0.00 0.00 0.00 178.83 181.29 2i6x h GLN 75 N 1.21 1.08 0.11 1.69 4.20 -1.88 -0.61 115.11 120.91 2i6x h GLN 75 Ca 0.32 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.71 2i6x h GLN 75 Cb -0.06 -0.20 0.02 0.00 0.30 0.00 0.00 27.48 27.54 2i6x h GLN 75 CO -0.06 0.84 -0.67 0.28 -0.67 0.00 0.00 178.83 178.55 2i6x h VAL 76 N 1.06 1.56 -0.51 -0.54 2.07 -1.12 -2.55 116.25 116.21 2i6x h VAL 76 Ca 0.26 -2.49 0.10 0.00 0.82 0.00 0.00 66.70 65.39 2i6x h VAL 76 Cb 0.11 3.21 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 2i6x h VAL 76 CO -0.03 0.70 -0.30 0.22 0.02 0.00 0.00 177.57 178.18 2i6x h TYR 77 N -0.46 -0.80 -0.91 1.57 3.20 -0.82 0.18 116.97 118.93 2i6x h TYR 77 Ca -0.12 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.88 2i6x h TYR 77 Cb 1.52 0.43 -0.06 0.00 1.54 0.00 0.00 36.73 40.16 2i6x h TYR 77 CO 0.21 -0.36 0.58 0.22 -1.64 0.00 0.00 178.16 177.17 2i6x h ASP 78 N -0.17 0.92 -0.21 -2.11 3.58 -1.14 0.14 116.42 117.43 2i6x h ASP 78 Ca 0.22 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.59 2i6x h ASP 78 Cb 0.53 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2i6x h ASP 78 CO -0.61 0.59 -0.22 0.00 -2.88 0.00 0.00 179.24 176.12 2i6x h ALA 79 N 1.42 0.31 -0.85 -0.78 0.00 -0.96 -3.11 119.26 115.28 2i6x h ALA 79 Ca 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2i6x h ALA 79 Cb 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2i6x h ALA 79 CO -0.17 0.26 0.40 -0.07 0.00 0.00 0.00 179.25 179.68 2i6x h LEU 80 N 0.19 1.12 0.00 0.00 -0.00 -0.47 -2.12 115.31 114.03 2i6x h LEU 80 Ca 0.03 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2i6x h LEU 80 Cb 0.78 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2i6x h LEU 80 CO 0.05 0.95 0.00 0.18 -0.00 0.00 0.00 178.44 179.62 2i6x n LEU 81 N -4.30 0.00 0.28 1.67 4.32 0.02 -1.61 117.00 117.38 2i6x n LEU 81 Ca 0.08 0.43 0.13 0.00 -0.02 0.00 0.00 56.01 56.63 2i6x n LEU 81 Cb 0.15 -0.43 0.80 0.00 -1.62 0.00 0.00 43.42 42.32 2i6x n LEU 81 CO 0.40 -0.26 1.06 1.23 -1.22 0.00 0.00 177.39 178.60 2i6x h GLY 82 N 2.01 0.00 1.39 -0.72 0.00 -1.31 -2.21 103.07 102.22 2i6x h GLY 82 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2i6x h GLY 82 CO 0.00 0.00 0.27 0.74 0.00 0.00 0.00 176.54 177.55 2i6x h PHE 83 N 0.00 0.27 -2.54 5.60 0.04 -1.42 -3.32 116.94 115.57 2i6x h PHE 83 Ca -0.00 0.01 -0.68 0.00 2.80 0.00 0.00 57.97 60.10 2i6x h PHE 83 Cb 0.13 -0.09 -0.17 0.00 2.20 0.00 0.00 35.95 38.01 2i6x h PHE 83 CO 0.00 0.15 0.69 -0.51 -0.60 0.00 0.00 178.31 178.04 2i6x s LEU 84 N -9.21 4.98 -0.01 1.54 1.43 -0.83 0.07 118.68 116.65 2i6x s LEU 84 Ca -0.07 -1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 51.22 2i6x s LEU 84 Cb 0.18 -2.39 -0.28 0.00 0.03 0.00 0.00 46.19 43.74 2i6x s LEU 84 CO 0.72 -1.14 0.82 -0.08 0.23 0.00 0.00 176.35 176.90 2i6x h GLU 85 N 9.00 0.26 -2.60 1.70 4.22 -1.19 -3.45 114.58 122.52 2i6x h GLU 85 Ca 0.02 -0.44 -0.12 0.00 0.08 0.00 0.00 59.36 58.90 2i6x h GLU 85 Cb 1.04 0.16 -0.28 0.00 0.50 0.00 0.00 28.75 30.18 2i6x h GLU 85 CO 1.11 1.12 -0.37 -2.00 -2.18 0.00 0.00 179.01 176.70 2i6x s GLU 86 N -2.61 0.32 -0.55 1.92 2.12 -0.84 -4.97 118.70 114.09 2i6x s GLU 86 Ca -0.10 0.92 -0.24 0.00 0.36 0.00 0.00 54.97 55.92 2i6x s GLU 86 Cb 0.07 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.68 2i6x s GLU 86 CO 0.85 -0.23 0.91 0.42 -0.54 0.00 0.00 175.26 176.68 2i6x s ILE 87 N 2.21 4.43 -0.72 -3.70 1.01 -1.26 -0.62 121.20 122.55 2i6x s ILE 87 Ca -0.04 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 2i6x s ILE 87 Cb -0.11 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2i6x s ILE 87 CO -0.12 -1.10 1.97 -0.55 0.00 0.00 0.00 174.94 175.13 2i6x s SER 88 N 2.87 5.07 0.23 3.58 0.15 -0.80 -4.84 113.70 119.95 2i6x s SER 88 Ca 0.28 -0.00 -0.07 0.00 0.70 0.00 0.00 55.95 56.86 2i6x s SER 88 Cb -0.13 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 62.00 2i6x s SER 88 CO 0.18 -2.65 1.73 0.00 1.20 0.00 0.00 173.24 173.70 2i6x h ALA 89 N 13.82 0.90 -0.39 5.45 0.00 -1.93 -2.24 119.26 134.87 2i6x h ALA 89 Ca -0.11 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2i6x h ALA 89 Cb 1.10 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2i6x h ALA 89 CO 1.20 -0.22 -0.14 1.05 0.00 0.00 0.00 179.25 181.14 2i6x h GLU 90 N 0.40 0.71 -0.17 0.00 4.11 -1.99 -0.37 114.58 117.28 2i6x h GLU 90 Ca 0.36 -0.24 -0.13 0.00 0.07 0.00 0.00 59.36 59.42 2i6x h GLU 90 Cb 0.51 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2i6x h GLU 90 CO -0.37 0.82 -0.44 0.87 0.07 0.00 0.00 179.01 179.97 2i6x h LYS 91 N 0.64 0.40 -0.45 1.06 1.57 -1.90 -0.68 116.57 117.21 2i6x h LYS 91 Ca 0.11 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 2i6x h LYS 91 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2i6x h LYS 91 CO 0.04 0.77 -0.18 0.74 -0.57 0.00 0.00 179.45 180.25 2i6x h PHE 92 N 0.33 1.05 -0.61 -1.35 0.04 -1.07 -1.18 116.94 114.14 2i6x h PHE 92 Ca 0.02 -0.25 0.07 0.00 2.80 0.00 0.00 57.97 60.62 2i6x h PHE 92 Cb 0.90 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.75 2i6x h PHE 92 CO 0.03 1.04 0.30 -0.44 -0.60 0.00 0.00 178.31 178.63 2i6x h ASP 93 N 0.75 0.40 -0.49 2.17 3.32 -0.88 0.43 116.42 122.12 2i6x h ASP 93 Ca 0.10 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2i6x h ASP 93 Cb 0.74 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2i6x h ASP 93 CO 0.06 0.25 0.15 0.22 -1.72 0.00 0.00 179.24 178.20 2i6x h TYR 94 N 0.55 0.81 -0.81 4.55 3.20 -0.94 -2.03 116.97 122.29 2i6x h TYR 94 Ca 0.29 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2i6x h TYR 94 Cb 0.25 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2i6x h TYR 94 CO -0.11 0.71 0.40 0.82 -1.64 0.00 0.00 178.16 178.33 2i6x h ILE 95 N 0.67 1.25 -0.31 1.81 2.04 -0.97 -2.09 117.51 119.91 2i6x h ILE 95 Ca 0.16 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2i6x h ILE 95 Cb 0.29 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2i6x h ILE 95 CO -0.00 0.29 0.14 -0.78 0.00 0.00 0.00 178.15 177.80 2i6x h ASP 96 N 1.14 0.38 1.06 1.72 -0.00 -0.38 -0.48 116.42 119.85 2i6x h ASP 96 Ca 0.28 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.28 2i6x h ASP 96 Cb 0.10 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 39.34 2i6x h ASP 96 CO -0.04 0.33 -0.03 0.77 -0.00 0.00 0.00 179.24 180.28 2i6x h SER 97 N 0.43 0.00 1.39 2.28 4.64 -0.69 -3.14 113.55 118.46 2i6x h SER 97 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2i6x h SER 97 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2i6x h SER 97 CO -0.01 0.03 -0.17 -0.07 -0.87 0.00 0.00 176.83 175.73 2i6x h LEU 98 N 0.00 0.00 -0.88 5.97 3.38 -0.81 -3.40 115.31 119.58 2i6x h LEU 98 Ca -0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2i6x h LEU 98 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2i6x h LEU 98 CO 0.00 0.02 0.11 -0.09 0.09 0.00 0.00 178.44 178.57 2i6x h ARG 99 N 0.00 0.94 0.00 1.13 9.65 -1.53 -1.97 114.38 122.60 2i6x h ARG 99 Ca 0.00 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2i6x h ARG 99 Cb 0.78 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 2i6x h ARG 99 CO 0.00 0.86 0.00 -1.35 2.80 0.00 0.00 179.97 182.28 2i6x h PRO 100 N 0.89 0.00 0.00 0.20 0.11 -1.83 -3.27 132.00 128.10 2i6x h PRO 100 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2i6x h PRO 100 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2i6x h PRO 100 CO 0.01 0.00 -1.32 -0.25 -0.21 0.00 0.00 178.00 176.23 2i6x n ASP 101 N -3.08 0.77 -3.97 -2.05 8.00 -0.80 -4.99 116.55 110.42 2i6x n ASP 101 Ca 0.01 -0.52 -0.09 0.00 0.71 0.00 0.00 54.79 54.90 2i6x n ASP 101 Cb 0.30 1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 42.69 2i6x n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2i6x s TYR 102 N -3.00 0.28 -0.08 1.24 2.02 -0.87 -4.98 117.35 111.96 2i6x s TYR 102 Ca 0.01 -0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 55.85 2i6x s TYR 102 Cb 0.13 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 2i6x s TYR 102 CO 0.77 -0.33 0.67 1.03 -1.57 0.00 0.00 175.55 176.13 2i6x s ARG 103 N -2.61 4.41 -0.06 -0.62 0.52 -0.84 -4.55 118.95 115.18 2i6x s ARG 103 Ca -0.05 0.81 0.06 0.00 -0.52 0.00 0.00 55.73 56.02 2i6x s ARG 103 Cb -0.01 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2i6x s ARG 103 CO -0.05 0.05 -0.24 -0.51 0.02 0.00 0.00 175.30 174.57 2i6x s LEU 104 N 0.88 2.11 0.04 2.53 1.43 -1.26 -1.04 118.68 123.37 2i6x s LEU 104 Ca 0.35 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2i6x s LEU 104 Cb -0.17 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2i6x s LEU 104 CO 0.16 0.24 -0.07 -0.36 0.23 0.00 0.00 176.35 176.55 2i6x s PHE 105 N -0.13 0.62 -0.15 0.29 0.08 -0.27 0.28 117.98 118.70 2i6x s PHE 105 Ca -0.04 -0.55 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 2i6x s PHE 105 Cb -0.14 -0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 2i6x s PHE 105 CO 0.04 -0.11 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.83 2i6x s LEU 106 N -1.72 3.18 -0.23 -0.37 2.96 -0.95 -0.83 118.68 120.73 2i6x s LEU 106 Ca -0.09 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2i6x s LEU 106 Cb -0.08 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.91 2i6x s LEU 106 CO -0.01 0.18 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.92 2i6x s LEU 107 N 0.27 2.53 -0.03 -0.68 2.96 0.30 -0.28 118.68 123.75 2i6x s LEU 107 Ca -0.04 -1.12 0.01 0.00 -0.22 0.00 0.00 54.13 52.76 2i6x s LEU 107 Cb -0.14 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.38 2i6x s LEU 107 CO 0.03 -0.22 -0.01 -0.55 -1.32 0.00 0.00 176.35 174.29 2i6x s SER 108 N 1.39 0.43 -0.30 3.68 0.15 -0.20 -4.08 113.70 114.78 2i6x s SER 108 Ca -0.05 -0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 2i6x s SER 108 Cb -0.18 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 2i6x s SER 108 CO -0.06 -0.07 1.03 0.20 1.20 0.00 0.00 173.24 175.53 2i6x s ASN 109 N 0.82 6.93 0.30 5.45 0.01 -1.26 -1.07 114.94 126.12 2i6x s ASN 109 Ca -0.08 1.07 -0.15 0.00 -0.71 0.00 0.00 52.86 52.98 2i6x s ASN 109 Cb -0.12 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2i6x s ASN 109 CO -0.01 -0.80 0.63 0.28 -1.51 0.00 0.00 177.10 175.69 2i6x s THR 110 N 3.46 0.00 0.31 1.60 -1.32 -1.26 -4.89 115.64 113.54 2i6x s THR 110 Ca 0.43 -1.20 0.08 0.00 -1.21 0.00 0.00 61.69 59.80 2i6x s THR 110 Cb -0.13 -2.33 -0.06 0.00 -1.51 0.00 0.00 72.50 68.47 2i6x s THR 110 CO 0.13 0.00 -0.09 0.54 -2.21 0.00 0.00 174.62 172.99 2i6x s ASN 111 N -3.02 3.27 0.51 8.08 2.20 -1.26 -3.87 114.94 120.84 2i6x s ASN 111 Ca 0.18 -1.18 0.23 0.00 -0.94 0.00 0.00 52.86 51.15 2i6x s ASN 111 Cb -0.04 -0.26 1.32 0.00 -2.00 0.00 0.00 41.25 40.27 2i6x s ASN 111 CO 0.10 -0.25 1.97 -0.65 -2.94 0.00 0.00 177.10 175.33 2i6x h PRO 112 N 2.16 0.10 0.07 3.55 0.11 -1.96 -2.67 132.00 133.36 2i6x h PRO 112 Ca -0.41 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 2i6x h PRO 112 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2i6x h PRO 112 CO 0.68 0.07 -0.03 1.88 -0.21 0.00 0.00 178.00 180.38 2i6x h TYR 113 N 0.10 -0.09 -0.77 0.65 0.05 -1.99 0.12 116.97 115.04 2i6x h TYR 113 Ca 0.29 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.03 2i6x h TYR 113 Cb 1.01 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.75 2i6x h TYR 113 CO -0.00 0.23 0.34 0.28 -1.05 0.00 0.00 178.16 177.96 2i6x h VAL 114 N -0.41 1.25 -0.74 -2.88 2.07 -1.93 -1.62 116.25 111.99 2i6x h VAL 114 Ca -0.01 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 2i6x h VAL 114 Cb 0.36 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2i6x h VAL 114 CO 0.02 0.31 0.24 -0.07 0.02 0.00 0.00 177.57 178.09 2i6x h LEU 115 N 1.11 1.07 -0.75 2.57 3.38 -1.40 0.23 115.31 121.52 2i6x h LEU 115 Ca 0.26 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2i6x h LEU 115 Cb 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2i6x h LEU 115 CO -0.03 0.98 0.43 0.44 0.09 0.00 0.00 178.44 180.36 2i6x h ASP 116 N 1.09 0.65 -0.10 -0.43 3.32 -0.17 -2.90 116.42 117.89 2i6x h ASP 116 Ca 0.24 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2i6x h ASP 116 Cb 0.29 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2i6x h ASP 116 CO -0.01 0.41 0.00 0.25 -1.72 0.00 0.00 179.24 178.17 2i6x h LEU 117 N 0.78 0.16 -2.52 1.55 5.85 -0.53 -3.12 115.31 117.49 2i6x h LEU 117 Ca 0.34 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2i6x h LEU 117 Cb 0.21 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2i6x h LEU 117 CO -0.19 0.42 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 2i6x n ALA 118 N -2.28 1.63 -0.54 1.25 0.00 0.73 -4.03 120.51 117.27 2i6x n ALA 118 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 2i6x n ALA 118 Cb 0.19 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 2i6x n ALA 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2i6x n SER 120 N 1.23 -0.36 -0.19 0.00 3.41 -1.18 -1.66 113.62 114.87 2i6x n SER 120 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2i6x n SER 120 Cb 0.05 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 2i6x n SER 120 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2i6x n PRO 121 N -2.50 0.91 -0.08 4.33 -0.04 -1.26 -3.40 135.00 132.95 2i6x n PRO 121 Ca -0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2i6x n PRO 121 Cb 0.31 -1.17 0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2i6x n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2i6x n ARG 122 N -0.29 1.64 -0.06 0.54 5.12 -1.26 -4.36 116.66 117.98 2i6x n ARG 122 Ca 0.00 -1.64 -0.14 0.00 -1.93 0.00 0.00 57.85 54.14 2i6x n ARG 122 Cb 0.09 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.04 2i6x n ARG 122 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2i6x h PHE 123 N 2.54 0.75 -3.93 -1.55 3.57 -1.69 -3.46 116.94 113.17 2i6x h PHE 123 Ca 0.00 -0.27 -0.32 0.00 3.53 0.00 0.00 57.97 60.90 2i6x h PHE 123 Cb 0.64 -0.14 -0.21 0.00 2.79 0.00 0.00 35.95 39.04 2i6x h PHE 123 CO 0.11 1.02 -0.75 -0.51 -2.23 0.00 0.00 178.31 175.95 2i6x s LEU 124 N -8.81 2.29 0.57 0.59 1.43 -1.26 -4.98 118.68 108.50 2i6x s LEU 124 Ca -0.13 -0.61 0.27 0.00 -1.03 0.00 0.00 54.13 52.63 2i6x s LEU 124 Cb 0.07 -0.30 1.50 0.00 0.03 0.00 0.00 46.19 47.49 2i6x s LEU 124 CO 0.82 -0.17 2.00 -0.65 0.23 0.00 0.00 176.35 178.58 2i6x h PRO 125 N 4.28 0.00 0.00 1.29 0.11 -1.92 0.28 132.00 136.04 2i6x h PRO 125 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2i6x h PRO 125 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2i6x h PRO 125 CO 0.42 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.87 2i6x h SER 126 N 0.00 0.00 -0.09 -2.05 4.64 -1.95 -3.46 113.55 110.64 2i6x h SER 126 Ca 0.19 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2i6x h SER 126 Cb 0.91 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2i6x h SER 126 CO -0.00 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.53 2i6x n GLY 127 N 0.68 0.54 3.80 -0.77 0.00 0.97 -5.03 105.19 105.37 2i6x n GLY 127 Ca 0.04 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 2i6x n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i6x s ARG 128 N -1.69 4.21 0.52 1.61 0.52 -1.26 -4.70 118.95 118.16 2i6x s ARG 128 Ca 0.00 0.69 -0.13 0.00 -0.52 0.00 0.00 55.73 55.78 2i6x s ARG 128 Cb 0.00 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.14 2i6x s ARG 128 CO 0.00 0.55 0.94 0.95 0.02 0.00 0.00 175.30 177.76 2i6x s THR 129 N -0.79 4.67 0.24 0.02 -4.23 -1.26 -4.35 115.64 109.95 2i6x s THR 129 Ca 0.29 0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 61.65 2i6x s THR 129 Cb -0.19 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.10 2i6x s THR 129 CO 0.18 -0.80 1.87 0.25 -0.54 0.00 0.00 174.62 175.57 2i6x h LEU 130 N 0.57 0.91 -1.89 4.79 5.85 -1.65 -2.13 115.31 121.76 2i6x h LEU 130 Ca -0.46 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2i6x h LEU 130 Cb 1.19 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2i6x h LEU 130 CO 0.62 0.60 -0.11 -2.24 -0.34 0.00 0.00 178.44 176.98 2i6x h ASP 131 N 1.06 0.00 0.44 1.25 3.04 -1.93 -2.66 116.42 117.62 2i6x h ASP 131 Ca 0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 2i6x h ASP 131 Cb 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 2i6x h ASP 131 CO -0.15 0.11 0.00 -1.54 -2.04 0.00 0.00 179.24 175.62 2i6x n SER 132 N -4.16 0.00 0.01 4.15 3.41 -0.80 -2.75 113.62 113.48 2i6x n SER 132 Ca -0.03 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 2i6x n SER 132 Cb 0.19 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2i6x n SER 132 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2i6x n PHE 133 N -1.46 0.09 -4.40 7.33 3.72 -1.00 -4.98 117.46 116.76 2i6x n PHE 133 Ca 0.04 0.03 -0.26 0.00 -0.05 0.00 0.00 57.45 57.21 2i6x n PHE 133 Cb 0.15 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.34 2i6x n PHE 133 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2i6x s PHE 134 N -3.12 2.21 0.21 1.38 0.08 -1.11 -4.87 117.98 112.77 2i6x s PHE 134 Ca 0.05 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 2i6x s PHE 134 Cb 0.15 -1.10 0.17 0.00 -0.57 0.00 0.00 43.02 41.68 2i6x s PHE 134 CO 0.82 0.46 1.68 -0.44 -0.10 0.00 0.00 175.22 177.65 2i6x h ASP 135 N 3.25 0.92 -4.54 1.36 3.32 -0.46 -3.45 116.42 116.82 2i6x h ASP 135 Ca -0.46 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.24 2i6x h ASP 135 Cb 1.21 -0.25 -0.21 0.00 0.22 0.00 0.00 39.33 40.30 2i6x h ASP 135 CO 0.48 1.00 -0.07 -0.75 -1.72 0.00 0.00 179.24 178.17 2i6x s LYS 136 N -4.96 0.75 -0.26 3.56 2.20 -1.23 -5.08 119.74 114.73 2i6x s LYS 136 Ca -0.11 0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 2i6x s LYS 136 Cb 0.14 0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 36.76 2i6x s LYS 136 CO 0.84 -0.18 0.17 0.08 -0.36 0.00 0.00 175.35 175.91 2i6x s VAL 137 N -0.61 5.33 -0.41 4.02 1.01 -1.26 -2.23 120.40 126.25 2i6x s VAL 137 Ca -0.07 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 2i6x s VAL 137 Cb -0.03 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.92 2i6x s VAL 137 CO 0.04 0.30 0.24 -0.31 0.00 0.00 0.00 175.10 175.37 2i6x s TYR 138 N 1.38 3.36 -0.19 5.22 2.02 0.61 -4.97 117.35 124.78 2i6x s TYR 138 Ca 0.07 -1.63 -0.02 0.00 -0.37 0.00 0.00 57.07 55.13 2i6x s TYR 138 Cb -0.15 -2.92 -0.00 0.00 -0.40 0.00 0.00 41.96 38.49 2i6x s TYR 138 CO 0.07 -0.85 -0.11 0.00 -1.57 0.00 0.00 175.55 173.09 2i6x s ALA 139 N 1.39 2.62 0.24 3.71 0.00 -1.26 -1.03 121.76 127.43 2i6x s ALA 139 Ca 0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 2i6x s ALA 139 Cb -0.23 -1.43 0.32 0.00 0.00 0.00 0.00 23.12 21.78 2i6x s ALA 139 CO 0.01 -0.25 1.57 0.66 0.00 0.00 0.00 175.76 177.75 2i6x h SER 140 N 7.75 -1.07 0.83 0.00 4.64 -1.28 0.97 113.55 125.38 2i6x h SER 140 Ca -0.39 0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2i6x h SER 140 Cb 1.17 0.63 -0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2i6x h SER 140 CO 0.60 -0.30 -0.04 0.00 -0.87 0.00 0.00 176.83 176.22 2i6x n GLN 142 N -3.18 1.20 -0.70 0.00 6.02 0.33 -4.28 117.38 116.78 2i6x n GLN 142 Ca -0.00 -0.31 -0.03 0.00 -0.01 0.00 0.00 57.00 56.65 2i6x n GLN 142 Cb 0.29 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 2i6x n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i6x n GLY 144 N 0.26 0.31 3.27 1.08 0.00 -0.75 -5.03 105.19 104.33 2i6x n GLY 144 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2i6x n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i6x s LYS 145 N 0.00 1.09 -0.10 1.61 1.02 -1.15 -4.92 119.74 117.28 2i6x s LYS 145 Ca 0.00 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.52 2i6x s LYS 145 Cb 0.00 0.32 0.04 0.00 -0.52 0.00 0.00 37.83 37.67 2i6x s LYS 145 CO 0.00 -0.37 0.42 1.52 -0.92 0.00 0.00 175.35 176.00 2i6x s TYR 146 N -4.01 -0.40 0.55 3.18 1.13 -1.26 -4.29 117.35 112.26 2i6x s TYR 146 Ca 0.21 0.86 -0.20 0.00 -1.41 0.00 0.00 57.07 56.53 2i6x s TYR 146 Cb 0.05 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 2i6x s TYR 146 CO 0.02 -0.32 1.21 0.15 -2.51 0.00 0.00 175.55 174.10 2i6x s LYS 147 N -0.43 3.20 -0.17 -3.49 1.02 -1.26 -2.01 119.74 116.60 2i6x s LYS 147 Ca -0.06 1.86 0.08 0.00 0.02 0.00 0.00 55.97 57.87 2i6x s LYS 147 Cb -0.03 -2.09 0.52 0.00 -0.52 0.00 0.00 37.83 35.71 2i6x s LYS 147 CO 0.03 -1.03 1.35 -0.35 -0.92 0.00 0.00 175.35 174.43 2i6x n PRO 148 N -1.24 3.32 -1.99 -1.68 -0.04 -1.26 -5.03 135.00 127.08 2i6x n PRO 148 Ca 0.12 -2.04 -0.38 0.00 -0.04 0.00 0.00 63.50 61.15 2i6x n PRO 148 Cb 0.49 -1.97 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 2i6x n PRO 148 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2i6x s ASN 149 N -0.50 5.70 0.35 3.54 0.01 -0.85 -4.82 114.94 118.37 2i6x s ASN 149 Ca 0.36 2.57 0.08 0.00 -0.71 0.00 0.00 52.86 55.16 2i6x s ASN 149 Cb 0.28 -2.62 0.66 0.00 0.41 0.00 0.00 41.25 39.97 2i6x s ASN 149 CO 0.10 -1.26 1.85 -0.33 -1.51 0.00 0.00 177.10 175.95 2i6x h GLU 150 N 1.78 0.29 -0.97 -0.60 5.08 -1.96 -3.23 114.58 114.97 2i6x h GLU 150 Ca -0.50 -0.08 0.18 0.00 -1.00 0.00 0.00 59.36 57.95 2i6x h GLU 150 Cb 1.27 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.40 2i6x h GLU 150 CO 0.59 0.48 0.61 0.38 -1.00 0.00 0.00 179.01 180.07 2i6x h ASP 151 N 0.27 0.71 -0.27 1.42 -0.00 -1.92 0.33 116.42 116.96 2i6x h ASP 151 Ca 0.05 0.07 -0.17 0.00 -0.00 0.00 0.00 57.03 56.98 2i6x h ASP 151 Cb 0.49 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.76 2i6x h ASP 151 CO 0.03 0.28 -0.49 -0.29 -0.00 0.00 0.00 179.24 178.78 2i6x h ILE 152 N 0.71 1.29 -0.78 4.15 2.10 -1.85 -0.92 117.51 122.21 2i6x h ILE 152 Ca 0.53 -1.68 0.07 0.00 1.08 0.00 0.00 64.86 64.86 2i6x h ILE 152 Cb 0.90 1.69 -0.06 0.00 -1.09 0.00 0.00 36.82 38.26 2i6x h ILE 152 CO -0.30 0.54 0.46 -0.26 -1.08 0.00 0.00 178.15 177.51 2i6x h PHE 153 N 0.56 0.84 -0.33 2.19 0.04 -1.45 -3.16 116.94 115.63 2i6x h PHE 153 Ca 0.01 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 2i6x h PHE 153 Cb 1.10 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.98 2i6x h PHE 153 CO 0.08 0.40 -0.45 -0.07 -0.60 0.00 0.00 178.31 177.67 2i6x h LEU 154 N 0.82 0.93 -1.03 1.54 3.38 -0.57 -0.93 115.31 119.45 2i6x h LEU 154 Ca 0.35 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2i6x h LEU 154 Cb 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2i6x h LEU 154 CO -0.19 1.24 0.00 1.21 0.09 0.00 0.00 178.44 180.78 2i6x n GLU 155 N -4.03 0.00 0.00 1.13 2.13 -0.39 -1.23 120.64 118.25 2i6x n GLU 155 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2i6x n GLU 155 Cb 0.57 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 31.32 2i6x n GLU 155 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2i6x n ILE 157 N 0.47 0.00 -0.17 6.31 5.41 -0.36 -0.48 119.36 130.54 2i6x n ILE 157 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2i6x n ILE 157 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 38.99 2i6x n ILE 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i6x h ALA 158 N 0.00 0.65 -0.20 -1.39 0.00 -1.44 0.14 119.26 117.02 2i6x h ALA 158 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2i6x h ALA 158 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2i6x h ALA 158 CO 0.00 -0.12 -0.67 0.22 0.00 0.00 0.00 179.25 178.68 2i6x h ASP 159 N 0.46 0.87 0.68 0.00 3.58 -1.03 -3.30 116.42 117.69 2i6x h ASP 159 Ca 0.23 -0.52 -0.19 0.00 0.42 0.00 0.00 57.03 56.97 2i6x h ASP 159 Cb 0.17 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2i6x h ASP 159 CO -0.18 1.31 -1.44 0.77 -2.88 0.00 0.00 179.24 176.81 2i6x h SER 160 N 0.55 0.00 -3.60 2.28 4.64 -1.79 -3.54 113.55 112.09 2i6x h SER 160 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2i6x h SER 160 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 2i6x h SER 160 CO 0.14 0.67 -0.42 0.61 -0.87 0.00 0.00 176.83 176.95 2i6x n GLY 161 N 1.42 -3.75 2.77 -0.77 0.00 0.47 -5.07 105.19 100.26 2i6x n GLY 161 Ca -0.11 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2i6x n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i6x s LYS 163 N -1.23 0.41 0.31 1.61 1.02 -1.26 -5.05 119.74 115.54 2i6x s LYS 163 Ca -0.05 0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.14 2i6x s LYS 163 Cb 0.00 -0.75 0.71 0.00 -0.52 0.00 0.00 37.83 37.28 2i6x s LYS 163 CO 0.13 -0.25 1.80 -1.35 -0.92 0.00 0.00 175.35 174.76 2i6x h PRO 164 N 8.00 0.78 0.00 -1.68 0.11 -1.87 -0.37 132.00 136.97 2i6x h PRO 164 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2i6x h PRO 164 Cb 1.13 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2i6x h PRO 164 CO 0.31 0.52 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 2i6x n GLU 165 N -4.70 0.36 -0.18 1.05 0.00 -1.19 -1.75 120.64 114.22 2i6x n GLU 165 Ca 0.22 0.08 0.06 0.00 0.00 0.00 0.00 57.16 57.51 2i6x n GLU 165 Cb 0.52 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.61 2i6x n GLU 165 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2i6x n GLU 166 N -1.23 2.87 -5.25 3.44 1.02 -0.17 -4.86 120.64 116.48 2i6x n GLU 166 Ca 0.11 -2.07 -0.32 0.00 -0.02 0.00 0.00 57.16 54.87 2i6x n GLU 166 Cb 0.14 -1.28 -0.17 0.00 -0.02 0.00 0.00 31.44 30.12 2i6x n GLU 166 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2i6x s THR 167 N -1.01 2.08 -0.25 2.62 2.01 -0.72 -0.38 115.64 119.99 2i6x s THR 167 Ca 0.24 -1.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 2i6x s THR 167 Cb 0.12 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 2i6x s THR 167 CO 0.16 0.57 0.16 -0.22 -0.69 0.00 0.00 174.62 174.60 2i6x s LEU 168 N -0.04 4.07 -0.24 4.42 2.96 0.16 -1.93 118.68 128.09 2i6x s LEU 168 Ca -0.07 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2i6x s LEU 168 Cb -0.15 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2i6x s LEU 168 CO 0.05 0.04 0.01 0.12 -1.32 0.00 0.00 176.35 175.25 2i6x s PHE 169 N 1.22 3.02 -0.33 5.38 5.36 0.11 -0.51 117.98 132.24 2i6x s PHE 169 Ca 0.07 -0.72 -0.02 0.00 -0.96 0.00 0.00 56.93 55.30 2i6x s PHE 169 Cb -0.14 -2.17 0.07 0.00 -0.34 0.00 0.00 43.02 40.44 2i6x s PHE 169 CO 0.06 -0.47 0.06 0.42 -1.46 0.00 0.00 175.22 173.83 2i6x s ILE 170 N 1.54 3.03 -0.11 3.12 1.01 0.19 -0.78 121.20 129.20 2i6x s ILE 170 Ca 0.06 -1.63 -0.09 0.00 0.00 0.00 0.00 60.65 58.99 2i6x s ILE 170 Cb -0.15 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.49 2i6x s ILE 170 CO -0.00 -0.30 0.29 -0.62 0.00 0.00 0.00 174.94 174.31 2i6x s ASP 171 N 1.38 -0.30 0.00 3.58 -1.08 -0.89 -1.02 116.67 118.34 2i6x s ASP 171 Ca -0.01 0.58 0.27 0.00 -0.52 0.00 0.00 52.55 52.87 2i6x s ASP 171 Cb -0.20 0.57 0.80 0.00 -1.46 0.00 0.00 42.92 42.63 2i6x s ASP 171 CO -0.02 -0.11 1.60 -0.90 0.52 0.00 0.00 175.17 176.26 2i6x n ASP 172 N 3.09 0.76 -4.55 -0.34 5.75 -1.26 -3.98 116.55 116.02 2i6x n ASP 172 Ca -0.14 -0.63 -0.43 0.00 -0.01 0.00 0.00 54.79 53.58 2i6x n ASP 172 Cb 0.57 0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.72 2i6x n ASP 172 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2i6x s GLY 173 N -2.63 1.48 0.25 6.12 0.00 -1.26 -4.89 107.32 106.39 2i6x s GLY 173 Ca 0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 2i6x s GLY 173 CO 0.55 2.00 1.67 -2.55 0.00 0.00 0.00 173.10 174.78 2i6x h PRO 174 N 9.13 0.24 -0.38 2.90 0.11 -1.98 -0.02 132.00 142.01 2i6x h PRO 174 Ca -0.25 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 2i6x h PRO 174 Cb 1.08 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2i6x h PRO 174 CO 1.03 0.16 -0.17 0.00 -0.21 0.00 0.00 178.00 178.82 2i6x h ALA 175 N 1.65 0.99 -0.08 -0.75 0.00 -1.99 -0.54 119.26 118.54 2i6x h ALA 175 Ca 0.44 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2i6x h ALA 175 Cb 0.79 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2i6x h ALA 175 CO -0.55 0.60 0.03 -0.91 0.00 0.00 0.00 179.25 178.42 2i6x h ASN 176 N 0.64 0.11 -0.29 0.00 2.35 -1.59 -2.32 115.58 114.48 2i6x h ASN 176 Ca 0.10 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2i6x h ASN 176 Cb 0.64 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 2i6x h ASN 176 CO 0.04 0.24 -0.01 0.58 -1.65 0.00 0.00 177.43 176.64 2i6x h VAL 177 N -0.02 0.78 -0.95 2.81 2.07 -0.95 -1.63 116.25 118.37 2i6x h VAL 177 Ca 0.03 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2i6x h VAL 177 Cb 0.16 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2i6x h VAL 177 CO -0.00 0.01 0.58 0.00 0.02 0.00 0.00 177.57 178.18 2i6x h ALA 178 N 1.25 1.42 -0.42 1.67 0.00 -1.03 0.22 119.26 122.37 2i6x h ALA 178 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2i6x h ALA 178 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2i6x h ALA 178 CO -0.24 0.17 -0.32 1.15 0.00 0.00 0.00 179.25 180.01 2i6x h THR 179 N 0.92 1.27 -0.49 0.00 2.02 -1.10 -2.20 112.91 113.32 2i6x h THR 179 Ca 0.47 -1.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.07 2i6x h THR 179 Cb 0.48 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2i6x h THR 179 CO -0.27 0.50 -0.09 0.00 0.37 0.00 0.00 175.52 176.03 2i6x h ALA 180 N 0.84 0.91 -0.40 6.16 0.00 -0.66 -2.18 119.26 123.94 2i6x h ALA 180 Ca 0.08 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2i6x h ALA 180 Cb 0.90 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2i6x h ALA 180 CO 0.08 0.63 0.15 0.93 0.00 0.00 0.00 179.25 181.04 2i6x h GLU 181 N 0.81 0.30 -0.94 0.00 4.39 -0.91 0.33 114.58 118.57 2i6x h GLU 181 Ca 0.14 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.84 2i6x h GLU 181 Cb 0.61 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2i6x h GLU 181 CO 0.04 0.20 0.62 0.00 -1.16 0.00 0.00 179.01 178.71 2i6x h ARG 182 N 0.31 1.18 0.00 2.33 3.08 -1.14 -1.83 114.38 118.31 2i6x h ARG 182 Ca 0.18 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2i6x h ARG 182 Cb 0.16 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2i6x h ARG 182 CO -0.18 0.78 0.00 1.28 -1.07 0.00 0.00 179.97 180.78 2i6x n LEU 183 N -4.42 0.00 0.00 3.04 4.77 -0.84 -4.92 117.00 114.63 2i6x n LEU 183 Ca 0.12 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2i6x n LEU 183 Cb 0.07 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2i6x n LEU 183 CO 0.35 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2i6x n GLY 184 N 1.26 0.85 3.77 -0.72 0.00 -0.69 -4.81 105.19 104.85 2i6x n GLY 184 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2i6x n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i6x s PHE 185 N -2.00 2.68 0.21 1.61 0.08 0.05 -3.20 117.98 117.41 2i6x s PHE 185 Ca 0.00 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 2i6x s PHE 185 Cb 0.00 -3.37 -0.09 0.00 -0.57 0.00 0.00 43.02 38.99 2i6x s PHE 185 CO 0.00 -1.71 1.22 -1.01 -0.10 0.00 0.00 175.22 173.62 2i6x s HIS 186 N -1.65 3.38 0.15 0.36 3.76 -0.81 -4.39 115.29 116.09 2i6x s HIS 186 Ca 0.70 1.42 0.07 0.00 -0.15 0.00 0.00 55.06 57.11 2i6x s HIS 186 Cb -0.27 -3.47 -0.04 0.00 1.11 0.00 0.00 32.58 29.91 2i6x s HIS 186 CO 0.31 -1.31 -0.16 0.95 -0.85 0.00 0.00 174.74 173.68 2i6x s THR 187 N -0.27 1.61 -0.02 1.30 -4.23 -1.26 0.07 115.64 112.83 2i6x s THR 187 Ca 0.52 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2i6x s THR 187 Cb -0.34 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 71.81 2i6x s THR 187 CO 0.39 -0.36 0.05 -0.47 -0.54 0.00 0.00 174.62 173.69 2i6x s TYR 188 N -2.10 -0.03 -0.56 3.99 5.04 0.04 -4.87 117.35 118.87 2i6x s TYR 188 Ca 0.13 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 2i6x s TYR 188 Cb -0.05 -0.12 0.14 0.00 0.35 0.00 0.00 41.96 42.28 2i6x s TYR 188 CO 0.05 -0.07 0.34 0.00 -1.34 0.00 0.00 175.55 174.53 2i6x s PRO 190 N -0.05 3.11 0.47 0.00 0.04 -1.26 -4.93 135.00 132.39 2i6x s PRO 190 Ca 0.16 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 2i6x s PRO 190 Cb -0.22 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2i6x s PRO 190 CO -0.02 -0.96 1.03 -0.51 0.04 0.00 0.00 177.00 176.58 2i6x s ASP 191 N -3.92 6.42 -0.30 6.66 1.01 -1.26 -4.26 116.67 121.02 2i6x s ASP 191 Ca 0.57 1.93 -0.35 0.00 0.71 0.00 0.00 52.55 55.41 2i6x s ASP 191 Cb -0.13 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.13 2i6x s ASP 191 CO 0.55 -0.73 2.12 -3.20 0.21 0.00 0.00 175.17 174.12 2i6x n ASN 192 N -0.84 2.40 0.00 0.27 5.15 -1.26 -1.66 115.26 119.31 2i6x n ASN 192 Ca 0.09 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 2i6x n ASN 192 Cb 0.52 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 2i6x n ASN 192 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i6x n GLY 193 N 6.04 0.63 3.76 8.20 0.00 -1.23 -4.94 105.19 117.64 2i6x n GLY 193 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 2i6x n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2i6x s GLU 194 N -0.75 4.60 -0.77 1.61 2.12 -0.67 -4.98 118.70 119.86 2i6x s GLU 194 Ca 0.00 1.85 -0.26 0.00 0.36 0.00 0.00 54.97 56.92 2i6x s GLU 194 Cb 0.00 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.24 2i6x s GLU 194 CO 0.00 0.14 1.25 1.21 -0.54 0.00 0.00 175.26 177.33 2i6x s ASN 195 N -0.71 6.22 0.00 -1.70 2.47 -1.26 -4.85 114.94 115.10 2i6x s ASN 195 Ca 0.46 -0.70 0.25 0.00 0.42 0.00 0.00 52.86 53.28 2i6x s ASN 195 Cb -0.33 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.46 2i6x s ASN 195 CO 0.41 -1.72 1.45 -2.67 -3.72 0.00 0.00 177.10 170.85 2i6x n TRP 196 N 9.01 0.11 0.07 0.43 4.27 -1.26 -4.47 117.44 125.59 2i6x n TRP 196 Ca 0.07 -0.05 -0.12 0.00 -3.89 0.00 0.00 57.50 53.51 2i6x n TRP 196 Cb 0.49 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.39 2i6x n TRP 196 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 2i6x h ILE 197 N 3.76 0.37 -0.69 -1.67 2.04 -1.99 -0.60 117.51 118.74 2i6x h ILE 197 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2i6x h ILE 197 Cb 0.81 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 2i6x h ILE 197 CO 0.00 0.00 0.33 -0.65 0.00 0.00 0.00 178.15 177.83 2i6x h PRO 198 N -0.44 0.54 -0.53 2.37 0.11 -2.00 -0.13 132.00 131.93 2i6x h PRO 198 Ca 0.06 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 2i6x h PRO 198 Cb 0.52 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2i6x h PRO 198 CO -0.23 0.36 0.04 0.00 -0.21 0.00 0.00 178.00 177.95 2i6x h ALA 199 N 1.43 0.71 -0.30 -0.75 0.00 -1.77 -2.14 119.26 116.44 2i6x h ALA 199 Ca 0.34 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2i6x h ALA 199 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2i6x h ALA 199 CO -0.28 0.50 -0.10 0.82 0.00 0.00 0.00 179.25 180.19 2i6x h ILE 200 N 0.79 1.29 -0.83 0.00 1.08 -0.91 -1.85 117.51 117.08 2i6x h ILE 200 Ca 0.16 -1.16 0.20 0.00 -0.39 0.00 0.00 64.86 63.67 2i6x h ILE 200 Cb 0.48 1.42 -0.05 0.00 -3.07 0.00 0.00 36.82 35.59 2i6x h ILE 200 CO 0.02 0.37 0.56 0.74 -0.69 0.00 0.00 178.15 179.15 2i6x h THR 201 N 0.36 0.68 -0.01 -0.27 2.02 -0.89 -0.64 112.91 114.16 2i6x h THR 201 Ca 0.07 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2i6x h THR 201 Cb 0.60 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2i6x h THR 201 CO 0.03 0.05 -0.02 0.03 0.37 0.00 0.00 175.52 175.99 2i6x h ARG 202 N 0.27 0.03 -0.98 6.66 2.47 -1.16 -3.21 114.38 118.46 2i6x h ARG 202 Ca 0.41 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 59.17 2i6x h ARG 202 Cb 1.20 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.46 2i6x h ARG 202 CO -0.11 0.58 0.64 -0.07 0.56 0.00 0.00 179.97 181.57 2i6x h LEU 203 N -0.51 1.02 -1.58 3.04 3.38 -0.31 -2.05 115.31 118.30 2i6x h LEU 203 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2i6x h LEU 203 Cb 0.58 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2i6x h LEU 203 CO 0.00 0.66 -0.10 -0.07 0.09 0.00 0.00 178.44 179.02 2i6x h LEU 204 N 1.16 0.00 -0.40 1.67 3.38 -1.33 -2.56 115.31 117.23 2i6x h LEU 204 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2i6x h LEU 204 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2i6x h LEU 204 CO -0.15 0.10 0.00 0.54 0.09 0.00 0.00 178.44 179.02 2i6x n ARG 205 N -3.32 0.17 -2.83 1.13 1.74 -0.77 -4.87 116.66 107.91 2i6x n ARG 205 Ca -0.00 0.33 -0.36 0.00 -0.77 0.00 0.00 57.85 57.05 2i6x n ARG 205 Cb 0.31 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 2i6x n ARG 205 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2i6x s GLU 206 N -3.20 4.44 0.00 5.56 -1.05 -0.97 -5.09 118.70 118.39 2i6x s GLU 206 Ca 0.07 1.21 0.15 0.00 -0.15 0.00 0.00 54.97 56.24 2i6x s GLU 206 Cb 0.11 -2.63 0.12 0.00 -0.44 0.00 0.00 34.13 31.28 2i6x s GLU 206 CO 0.42 0.21 0.98 1.04 0.95 0.00 0.00 175.26 178.85