#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqu s GLN 2 N 0.00 4.48 -0.12 2.12 -0.21 -1.26 -5.05 119.66 119.62 1nqu s GLN 2 Ca 0.00 1.42 0.02 0.00 0.02 0.00 0.00 55.36 56.82 1nqu s GLN 2 Cb 0.00 -3.50 0.01 0.00 1.00 0.00 0.00 33.01 30.52 1nqu s GLN 2 CO 0.00 -0.21 -0.17 0.42 -2.12 0.00 0.00 175.29 173.21 1nqu s ILE 3 N 1.59 1.68 -0.11 1.08 1.01 -1.26 -5.11 121.20 120.07 1nqu s ILE 3 Ca 0.50 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1nqu s ILE 3 Cb -0.20 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1nqu s ILE 3 CO 0.22 0.48 -0.13 -0.31 0.00 0.00 0.00 174.94 175.20 1nqu s TYR 4 N 0.94 2.79 0.15 3.97 1.51 -1.26 -5.12 117.35 120.33 1nqu s TYR 4 Ca -0.06 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.32 1nqu s TYR 4 Cb -0.15 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1nqu s TYR 4 CO -0.02 -0.12 0.38 -1.83 -1.11 0.00 0.00 175.55 172.85 1nqu s GLU 5 N 0.11 1.15 -0.13 -0.62 -1.05 -1.26 -5.11 118.70 111.78 1nqu s GLU 5 Ca -0.06 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 53.82 1nqu s GLU 5 Cb -0.15 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 1nqu s GLU 5 CO 0.05 -0.45 0.02 0.20 0.95 0.00 0.00 175.26 176.03 1nqu s GLY 6 N -2.87 1.86 1.06 -3.83 0.00 -1.26 -4.43 107.32 97.85 1nqu s GLY 6 Ca 0.08 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1nqu s GLY 6 CO -0.07 -0.25 1.23 0.54 0.00 0.00 0.00 173.10 174.56 1nqu s LYS 7 N -0.21 -0.15 -0.00 2.90 1.02 -1.26 -4.86 119.74 117.17 1nqu s LYS 7 Ca 0.06 -0.26 0.09 0.00 0.02 0.00 0.00 55.97 55.88 1nqu s LYS 7 Cb -0.12 -1.74 0.25 0.00 -0.52 0.00 0.00 37.83 35.70 1nqu s LYS 7 CO 0.02 -2.96 1.21 1.28 -0.92 0.00 0.00 175.35 173.97 1nqu n LEU 8 N -4.19 2.77 -4.77 3.17 4.77 -1.26 -4.10 117.00 113.40 1nqu n LEU 8 Ca 0.14 -2.03 -0.39 0.00 -0.03 0.00 0.00 56.01 53.70 1nqu n LEU 8 Cb 0.59 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1nqu n LEU 8 CO 0.46 0.69 0.38 0.42 -1.33 0.00 0.00 177.39 178.00 1nqu s THR 9 N -1.05 4.74 -0.44 -5.08 -4.23 -1.26 -4.85 115.64 103.47 1nqu s THR 9 Ca 0.19 1.44 0.13 0.00 -1.18 0.00 0.00 61.69 62.28 1nqu s THR 9 Cb 0.10 -4.02 0.39 0.00 1.34 0.00 0.00 72.50 70.31 1nqu s THR 9 CO 0.13 0.43 1.31 0.00 -0.54 0.00 0.00 174.62 175.95 1nqu n ALA 10 N 2.45 2.55 -1.66 3.99 0.00 0.71 -4.99 120.51 123.57 1nqu n ALA 10 Ca -0.06 -1.80 -0.47 0.00 0.00 0.00 0.00 53.44 51.12 1nqu n ALA 10 Cb 0.50 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 1nqu n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqu n GLU 11 N -0.20 1.99 -0.24 0.00 2.13 -1.23 -1.70 120.64 121.39 1nqu n GLU 11 Ca 0.16 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1nqu n GLU 11 Cb 0.65 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1nqu n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqu n GLY 12 N 3.21 2.48 3.84 8.31 0.00 -1.26 -4.99 105.19 116.78 1nqu n GLY 12 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1nqu n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqu s LEU 13 N 0.00 4.01 -0.10 0.99 1.43 -0.69 -5.06 118.68 119.26 1nqu s LEU 13 Ca 0.00 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1nqu s LEU 13 Cb 0.00 -4.20 0.01 0.00 0.03 0.00 0.00 46.19 42.04 1nqu s LEU 13 CO 0.00 -0.26 -0.15 -0.13 0.23 0.00 0.00 176.35 176.03 1nqu s ARG 14 N -3.10 2.20 0.04 1.70 0.52 -1.26 -4.59 118.95 114.46 1nqu s ARG 14 Ca 0.56 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 55.30 1nqu s ARG 14 Cb -0.10 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1nqu s ARG 14 CO 0.17 -0.03 -0.25 -0.06 0.02 0.00 0.00 175.30 175.15 1nqu s PHE 15 N 0.90 2.16 -0.11 -0.53 0.40 -0.61 -0.56 117.98 119.63 1nqu s PHE 15 Ca -0.09 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1nqu s PHE 15 Cb -0.15 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1nqu s PHE 15 CO -0.00 0.11 0.01 0.20 0.70 0.00 0.00 175.22 176.24 1nqu s GLY 16 N -1.20 1.84 -0.11 4.36 0.00 -0.42 -0.50 107.32 111.30 1nqu s GLY 16 Ca 0.10 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1nqu s GLY 16 CO 0.02 -0.38 -0.21 -0.42 0.00 0.00 0.00 173.10 172.11 1nqu s ILE 17 N -0.47 1.91 -0.20 0.90 1.01 0.47 -0.23 121.20 124.59 1nqu s ILE 17 Ca 0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1nqu s ILE 17 Cb -0.12 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1nqu s ILE 17 CO 0.02 0.52 -0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1nqu s VAL 18 N 0.57 3.07 -0.08 2.92 1.01 -0.61 -0.42 120.40 126.85 1nqu s VAL 18 Ca -0.14 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1nqu s VAL 18 Cb -0.17 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1nqu s VAL 18 CO 0.04 0.46 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 1nqu s ALA 19 N 1.24 1.21 0.56 5.51 0.00 -0.33 -0.60 121.76 129.35 1nqu s ALA 19 Ca 0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 1nqu s ALA 19 Cb -0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1nqu s ALA 19 CO -0.04 -0.09 0.92 -1.54 0.00 0.00 0.00 175.76 175.02 1nqu s SER 20 N 1.06 6.23 0.02 0.00 1.04 -0.88 -2.04 113.70 119.13 1nqu s SER 20 Ca -0.07 1.20 0.20 0.00 0.48 0.00 0.00 55.95 57.76 1nqu s SER 20 Cb -0.14 -2.37 -0.20 0.00 0.10 0.00 0.00 66.02 63.41 1nqu s SER 20 CO -0.01 -0.75 0.62 0.54 0.98 0.00 0.00 173.24 174.62 1nqu n ARG 21 N -2.54 0.64 -1.79 4.02 1.74 -0.01 -4.75 116.66 113.98 1nqu n ARG 21 Ca 0.04 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 1nqu n ARG 21 Cb 0.55 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1nqu n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nqu s PHE 22 N -3.15 2.66 -1.48 -1.55 5.36 -0.39 -1.49 117.98 117.93 1nqu s PHE 22 Ca -0.05 0.99 -0.07 0.00 -0.96 0.00 0.00 56.93 56.83 1nqu s PHE 22 Cb 0.10 -4.05 0.02 0.00 -0.34 0.00 0.00 43.02 38.75 1nqu s PHE 22 CO 0.84 -3.28 0.82 0.09 -1.46 0.00 0.00 175.22 172.23 1nqu n ASN 23 N 1.24 -5.99 0.15 6.13 3.02 -1.26 -4.53 115.26 114.02 1nqu n ASN 23 Ca 0.04 -0.41 0.14 0.00 -0.03 0.00 0.00 54.58 54.32 1nqu n ASN 23 Cb 0.38 -4.79 0.68 0.00 -0.61 0.00 0.00 39.78 35.45 1nqu n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqu h HIS 24 N -1.86 0.00 0.00 3.10 2.07 -1.56 -0.48 115.15 116.43 1nqu h HIS 24 Ca -0.54 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.96 1nqu h HIS 24 Cb 1.36 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.34 1nqu h HIS 24 CO 0.53 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 175.33 1nqu h ALA 25 N 1.87 1.44 0.04 6.11 0.00 -1.90 0.17 119.26 127.00 1nqu h ALA 25 Ca 0.11 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.60 1nqu h ALA 25 Cb 0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1nqu h ALA 25 CO -0.00 0.08 -2.06 1.28 0.00 0.00 0.00 179.25 178.54 1nqu n LEU 26 N -3.81 2.37 -0.31 0.00 4.77 -0.33 -4.26 117.00 115.44 1nqu n LEU 26 Ca -0.02 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 1nqu n LEU 26 Cb 0.16 -0.96 0.18 0.00 -2.33 0.00 0.00 43.42 40.47 1nqu n LEU 26 CO 0.29 0.67 1.17 0.58 -1.33 0.00 0.00 177.39 178.78 1nqu h VAL 27 N -0.46 0.93 -0.32 4.08 2.07 -0.95 -1.42 116.25 120.18 1nqu h VAL 27 Ca -0.51 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1nqu h VAL 27 Cb 1.73 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1nqu h VAL 27 CO -0.15 0.16 0.22 0.44 0.02 0.00 0.00 177.57 178.26 1nqu h ASP 28 N 0.88 0.29 -0.39 0.57 3.32 -0.87 0.11 116.42 120.33 1nqu h ASP 28 Ca 0.42 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.34 1nqu h ASP 28 Cb 0.37 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1nqu h ASP 28 CO -0.24 0.21 -0.24 0.03 -1.72 0.00 0.00 179.24 177.27 1nqu h ARG 29 N 0.34 0.90 -0.72 3.56 2.47 -1.44 -2.08 114.38 117.41 1nqu h ARG 29 Ca 0.13 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.43 1nqu h ARG 29 Cb 0.10 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1nqu h ARG 29 CO -0.03 1.04 0.34 -0.07 0.56 0.00 0.00 179.97 181.82 1nqu h LEU 30 N 0.78 0.95 -0.41 3.04 3.38 -0.78 -1.50 115.31 120.76 1nqu h LEU 30 Ca 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1nqu h LEU 30 Cb 0.80 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1nqu h LEU 30 CO 0.07 0.82 0.19 0.58 0.09 0.00 0.00 178.44 180.19 1nqu h VAL 31 N 1.02 1.18 -0.71 1.22 2.07 -1.01 -0.28 116.25 119.73 1nqu h VAL 31 Ca 0.25 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1nqu h VAL 31 Cb 0.12 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1nqu h VAL 31 CO -0.03 0.20 0.38 -0.33 0.02 0.00 0.00 177.57 177.81 1nqu h GLU 32 N 0.53 0.65 -0.45 1.57 5.08 -1.19 -1.51 114.58 119.27 1nqu h GLU 32 Ca 0.14 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1nqu h GLU 32 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1nqu h GLU 32 CO -0.02 0.43 0.12 0.78 -1.00 0.00 0.00 179.01 179.33 1nqu h GLY 33 N 0.67 0.76 0.94 -3.84 0.00 -0.81 -1.46 103.07 99.33 1nqu h GLY 33 Ca 0.34 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1nqu h GLY 33 CO -0.23 0.44 0.15 0.00 0.00 0.00 0.00 176.54 176.90 1nqu h ALA 34 N 0.98 0.43 -0.38 3.60 0.00 -0.68 -0.73 119.26 122.47 1nqu h ALA 34 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1nqu h ALA 34 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nqu h ALA 34 CO -0.00 -0.00 0.09 0.82 0.00 0.00 0.00 179.25 180.16 1nqu h ILE 35 N 0.40 1.23 -0.64 0.00 2.04 -1.23 -1.69 117.51 117.61 1nqu h ILE 35 Ca 0.11 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1nqu h ILE 35 Cb 0.13 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1nqu h ILE 35 CO -0.01 0.27 0.39 -0.78 0.00 0.00 0.00 178.15 178.01 1nqu h ASP 36 N 0.48 0.77 -0.34 1.72 3.58 -1.13 -0.06 116.42 121.43 1nqu h ASP 36 Ca 0.12 -0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.54 1nqu h ASP 36 Cb 0.31 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1nqu h ASP 36 CO 0.00 0.60 0.16 0.00 -2.88 0.00 0.00 179.24 177.13 1nqu h ILE 38 N 0.34 0.89 -0.43 0.00 2.04 -0.81 -2.45 117.51 117.10 1nqu h ILE 38 Ca 0.14 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1nqu h ILE 38 Cb 0.06 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1nqu h ILE 38 CO -0.10 0.06 0.18 0.58 0.00 0.00 0.00 178.15 178.86 1nqu h VAL 39 N -0.34 1.20 0.00 1.67 2.07 -0.88 -0.85 116.25 119.12 1nqu h VAL 39 Ca -0.02 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1nqu h VAL 39 Cb 0.27 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1nqu h VAL 39 CO 0.04 0.22 0.00 0.54 0.02 0.00 0.00 177.57 178.39 1nqu n ARG 40 N -4.62 0.02 -0.02 1.57 1.74 -0.14 -1.36 116.66 113.84 1nqu n ARG 40 Ca 0.00 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.25 1nqu n ARG 40 Cb 0.14 -1.52 0.52 0.00 -1.02 0.00 0.00 32.46 30.58 1nqu n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqu n HIS 41 N -1.55 0.06 0.00 -1.55 8.25 -0.92 -4.93 115.22 114.58 1nqu n HIS 41 Ca 0.07 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1nqu n HIS 41 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1nqu n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqu n GLY 42 N 1.13 0.65 3.80 -1.41 0.00 -0.47 -0.21 105.19 108.69 1nqu n GLY 42 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1nqu n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqu s GLY 43 N -0.71 2.49 0.04 -0.02 0.00 -0.36 -3.55 107.32 105.22 1nqu s GLY 43 Ca 0.00 0.55 -0.20 0.00 0.00 0.00 0.00 44.72 45.07 1nqu s GLY 43 CO 0.00 0.86 0.58 0.50 0.00 0.00 0.00 173.10 175.04 1nqu s ARG 44 N -3.17 4.25 0.42 2.90 0.52 -1.26 -4.08 118.95 118.52 1nqu s ARG 44 Ca 0.65 0.73 0.10 0.00 -0.52 0.00 0.00 55.73 56.69 1nqu s ARG 44 Cb -0.14 -3.28 0.93 0.00 0.52 0.00 0.00 34.95 32.98 1nqu s ARG 44 CO 0.18 0.53 2.02 1.05 0.02 0.00 0.00 175.30 179.10 1nqu h GLU 45 N 4.98 0.48 0.00 3.54 -0.00 -1.95 -0.33 114.58 121.30 1nqu h GLU 45 Ca -0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 58.85 1nqu h GLU 45 Cb 1.21 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.85 1nqu h GLU 45 CO 0.66 0.32 -0.01 0.93 -0.00 0.00 0.00 179.01 180.91 1nqu h GLU 46 N 0.49 0.00 -0.61 1.06 3.07 -2.00 -2.01 114.58 114.58 1nqu h GLU 46 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1nqu h GLU 46 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1nqu h GLU 46 CO -0.06 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.31 1nqu n ASP 47 N -3.22 3.56 -4.78 1.42 8.00 -0.14 -4.83 116.55 116.56 1nqu n ASP 47 Ca -0.02 -2.20 -0.36 0.00 0.71 0.00 0.00 54.79 52.91 1nqu n ASP 47 Cb 0.12 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.68 1nqu n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqu s ILE 48 N -1.55 5.29 -0.19 0.53 1.01 -0.76 -1.57 121.20 123.96 1nqu s ILE 48 Ca 0.40 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 1nqu s ILE 48 Cb 0.24 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1nqu s ILE 48 CO 0.23 0.53 -0.10 -0.89 0.00 0.00 0.00 174.94 174.71 1nqu s THR 49 N -0.33 2.96 -0.18 2.92 2.01 0.35 -4.98 115.64 118.40 1nqu s THR 49 Ca 0.11 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1nqu s THR 49 Cb -0.12 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1nqu s THR 49 CO 0.01 0.47 0.00 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqu s LEU 50 N 1.19 3.39 -0.13 4.42 2.96 -1.26 -0.40 118.68 128.85 1nqu s LEU 50 Ca 0.02 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1nqu s LEU 50 Cb -0.14 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1nqu s LEU 50 CO -0.04 0.12 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.21 1nqu s VAL 51 N 0.67 2.23 -0.09 1.68 1.01 0.43 -4.97 120.40 121.37 1nqu s VAL 51 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1nqu s VAL 51 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1nqu s VAL 51 CO 0.02 0.55 0.14 -0.13 0.00 0.00 0.00 175.10 175.68 1nqu s ARG 52 N 0.62 3.40 0.09 2.72 0.52 -1.26 -1.18 118.95 123.86 1nqu s ARG 52 Ca -0.11 -0.20 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1nqu s ARG 52 Cb -0.16 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1nqu s ARG 52 CO 0.03 0.75 -0.05 0.14 0.02 0.00 0.00 175.30 176.18 1nqu s VAL 53 N -1.10 0.59 0.09 3.52 -7.23 -0.86 -4.95 120.40 110.46 1nqu s VAL 53 Ca 0.18 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 1nqu s VAL 53 Cb -0.12 -1.68 -0.15 0.00 0.56 0.00 0.00 36.38 34.99 1nqu s VAL 53 CO 0.08 -0.88 1.64 -0.65 -0.31 0.00 0.00 175.10 174.98 1nqu h PRO 54 N 2.99 -0.65 -4.63 4.82 0.11 -1.94 0.02 132.00 132.73 1nqu h PRO 54 Ca -0.35 0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.46 1nqu h PRO 54 Cb 1.16 0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 1nqu h PRO 54 CO 0.65 -0.43 -0.48 0.20 -0.21 0.00 0.00 178.00 177.73 1nqu s GLY 55 N -2.19 1.83 0.38 -0.55 0.00 -1.26 -1.27 107.32 104.26 1nqu s GLY 55 Ca -0.16 -1.82 0.10 0.00 0.00 0.00 0.00 44.72 42.84 1nqu s GLY 55 CO 0.63 -1.34 1.90 1.76 0.00 0.00 0.00 173.10 176.05 1nqu h SER 56 N 2.31 0.59 -0.91 1.64 0.02 -1.91 -1.16 113.55 114.12 1nqu h SER 56 Ca -0.29 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 60.85 1nqu h SER 56 Cb 1.24 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.62 1nqu h SER 56 CO 0.42 0.31 0.59 -0.25 -1.14 0.00 0.00 176.83 176.76 1nqu h TRP 57 N 0.63 0.80 -0.00 3.45 2.91 -1.96 -1.72 115.95 120.05 1nqu h TRP 57 Ca 0.40 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.45 1nqu h TRP 57 Cb 0.67 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.08 1nqu h TRP 57 CO -0.00 0.26 -0.22 0.39 -1.03 0.00 0.00 178.44 177.84 1nqu n GLU 58 N -4.58 0.49 -0.05 2.65 4.71 -0.44 -4.25 120.64 119.17 1nqu n GLU 58 Ca 0.19 -0.22 -0.10 0.00 -0.01 0.00 0.00 57.16 57.02 1nqu n GLU 58 Cb 0.53 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.43 1nqu n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqu h ILE 59 N 0.53 1.08 -0.34 -3.67 2.04 -1.25 -3.18 117.51 112.71 1nqu h ILE 59 Ca 0.00 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1nqu h ILE 59 Cb 0.45 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1nqu h ILE 59 CO 0.00 0.08 0.13 -0.65 0.00 0.00 0.00 178.15 177.71 1nqu h PRO 60 N 0.26 0.28 -0.51 2.37 0.11 -1.77 0.49 132.00 133.23 1nqu h PRO 60 Ca 0.08 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1nqu h PRO 60 Cb 0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1nqu h PRO 60 CO -0.01 0.18 0.15 -0.24 -0.21 0.00 0.00 178.00 177.87 1nqu h VAL 61 N 0.29 1.21 -0.37 3.15 3.04 -1.84 0.65 116.25 122.37 1nqu h VAL 61 Ca 0.15 -0.73 -0.16 0.00 -1.01 0.00 0.00 66.70 64.96 1nqu h VAL 61 Cb 0.11 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.04 1nqu h VAL 61 CO -0.15 0.27 -0.39 0.00 -1.01 0.00 0.00 177.57 176.29 1nqu h ALA 62 N 1.42 0.55 -0.57 3.17 0.00 -1.46 -3.00 119.26 119.37 1nqu h ALA 62 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1nqu h ALA 62 Cb 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1nqu h ALA 62 CO -0.01 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.17 1nqu h ALA 63 N 0.76 1.40 -0.98 0.00 0.00 -0.12 -1.86 119.26 118.47 1nqu h ALA 63 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nqu h ALA 63 Cb 0.99 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1nqu h ALA 63 CO 0.10 0.47 0.65 0.78 0.00 0.00 0.00 179.25 181.24 1nqu h GLY 64 N 0.90 1.39 1.00 0.00 0.00 -0.82 0.21 103.07 105.74 1nqu h GLY 64 Ca 0.20 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1nqu h GLY 64 CO -0.03 0.48 -0.28 0.83 0.00 0.00 0.00 176.54 177.55 1nqu h GLU 65 N 1.30 0.75 -0.42 4.80 4.39 -1.22 -2.73 114.58 121.45 1nqu h GLU 65 Ca 0.37 -0.38 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1nqu h GLU 65 Cb -0.11 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1nqu h GLU 65 CO -0.09 1.00 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.50 1nqu h LEU 66 N 0.51 0.89 -1.74 1.33 3.38 -1.02 -3.00 115.31 115.66 1nqu h LEU 66 Ca 0.06 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1nqu h LEU 66 Cb 0.85 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nqu h LEU 66 CO 0.07 1.10 -0.08 0.00 0.09 0.00 0.00 178.44 179.62 1nqu h ALA 67 N 0.83 1.08 0.00 1.53 0.00 -0.60 -1.68 119.26 120.41 1nqu h ALA 67 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nqu h ALA 67 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nqu h ALA 67 CO 0.06 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1nqu n ARG 68 N -3.29 0.12 -2.41 0.00 1.74 -1.03 -4.80 116.66 106.97 1nqu n ARG 68 Ca -0.01 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 1nqu n ARG 68 Cb 0.28 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1nqu n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqu s LYS 69 N -3.08 4.43 0.48 5.56 1.02 -0.63 -4.92 119.74 122.61 1nqu s LYS 69 Ca 0.11 1.78 0.21 0.00 0.02 0.00 0.00 55.97 58.08 1nqu s LYS 69 Cb 0.14 -3.34 1.21 0.00 -0.52 0.00 0.00 37.83 35.32 1nqu s LYS 69 CO 0.50 -0.26 2.03 1.49 -0.92 0.00 0.00 175.35 178.19 1nqu h GLU 70 N 6.76 0.00 -0.66 1.68 4.22 -1.88 -2.47 114.58 122.22 1nqu h GLU 70 Ca -0.42 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1nqu h GLU 70 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1nqu h GLU 70 CO 0.81 0.16 0.00 -0.40 -2.18 0.00 0.00 179.01 177.40 1nqu n ASP 71 N -3.99 4.40 -4.26 1.04 5.75 -1.26 -4.77 116.55 113.46 1nqu n ASP 71 Ca -0.02 -2.61 -0.34 0.00 -0.01 0.00 0.00 54.79 51.81 1nqu n ASP 71 Cb 0.24 -0.60 -0.15 0.00 -1.03 0.00 0.00 41.12 39.58 1nqu n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqu s ILE 72 N -2.19 2.89 -0.02 2.12 -1.09 -0.93 -4.76 121.20 117.21 1nqu s ILE 72 Ca 0.41 -0.67 0.12 0.00 -2.23 0.00 0.00 60.65 58.28 1nqu s ILE 72 Cb 0.30 -2.27 -0.16 0.00 -1.58 0.00 0.00 42.46 38.75 1nqu s ILE 72 CO 0.14 0.48 1.03 0.44 -1.23 0.00 0.00 174.94 175.80 1nqu h ASP 73 N 7.80 0.00 -4.94 3.58 3.32 -1.13 -3.47 116.42 121.58 1nqu h ASP 73 Ca -0.40 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 1nqu h ASP 73 Cb 1.16 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 1nqu h ASP 73 CO 0.60 0.84 0.22 0.00 -1.72 0.00 0.00 179.24 179.19 1nqu s ALA 74 N -2.75 -1.74 -0.06 3.45 0.00 -1.23 -4.47 121.76 114.95 1nqu s ALA 74 Ca -0.01 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.14 1nqu s ALA 74 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1nqu s ALA 74 CO 0.81 -0.46 -0.17 0.08 0.00 0.00 0.00 175.76 176.02 1nqu s VAL 75 N -1.76 2.81 -0.21 0.00 1.01 -0.62 -1.30 120.40 120.32 1nqu s VAL 75 Ca -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1nqu s VAL 75 Cb -0.00 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 1nqu s VAL 75 CO 0.04 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 175.02 1nqu s ILE 76 N -0.43 3.20 -0.22 2.22 1.01 0.67 -0.30 121.20 127.35 1nqu s ILE 76 Ca 0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1nqu s ILE 76 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1nqu s ILE 76 CO 0.02 0.44 0.32 0.00 0.00 0.00 0.00 174.94 175.71 1nqu s ALA 77 N 1.45 3.58 -0.10 9.38 0.00 -0.64 -1.57 121.76 133.85 1nqu s ALA 77 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1nqu s ALA 77 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1nqu s ALA 77 CO -0.05 -0.27 -0.10 0.42 0.00 0.00 0.00 175.76 175.77 1nqu s ILE 78 N 1.24 1.10 0.22 0.00 1.01 0.23 0.03 121.20 125.02 1nqu s ILE 78 Ca 0.15 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.19 1nqu s ILE 78 Cb -0.14 -1.06 0.04 0.00 0.01 0.00 0.00 42.46 41.31 1nqu s ILE 78 CO 0.07 0.37 0.85 -0.83 0.00 0.00 0.00 174.94 175.40 1nqu s GLY 79 N 1.28 -0.14 -0.16 6.18 0.00 -1.16 -2.08 107.32 111.23 1nqu s GLY 79 Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1nqu s GLY 79 CO -0.04 0.00 0.02 0.14 0.00 0.00 0.00 173.10 173.22 1nqu s VAL 80 N -3.52 0.56 -0.19 1.40 1.01 -1.26 -1.22 120.40 117.19 1nqu s VAL 80 Ca 0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1nqu s VAL 80 Cb -0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1nqu s VAL 80 CO 0.05 -0.07 0.06 -0.76 0.00 0.00 0.00 175.10 174.38 1nqu s LEU 81 N 1.85 3.75 -0.08 3.92 1.43 0.12 -4.71 118.68 124.97 1nqu s LEU 81 Ca 0.00 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1nqu s LEU 81 Cb -0.16 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1nqu s LEU 81 CO -0.07 0.15 -0.12 -0.63 0.23 0.00 0.00 176.35 175.90 1nqu s ILE 82 N 0.52 1.20 0.25 -0.59 1.01 -1.26 -0.58 121.20 121.75 1nqu s ILE 82 Ca 0.03 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 1nqu s ILE 82 Cb -0.13 -1.10 -0.11 0.00 0.01 0.00 0.00 42.46 41.12 1nqu s ILE 82 CO 0.01 0.37 1.64 -0.60 0.00 0.00 0.00 174.94 176.36 1nqu s ARG 83 N 0.82 4.13 0.00 2.79 3.52 -0.19 -4.91 118.95 125.11 1nqu s ARG 83 Ca -0.11 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 1nqu s ARG 83 Cb -0.15 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1nqu s ARG 83 CO 0.02 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.24 1nqu n GLY 84 N 3.02 2.21 0.16 8.12 0.00 -1.26 -4.83 105.19 112.60 1nqu n GLY 84 Ca 0.12 -2.03 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1nqu n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqu h ALA 85 N -0.90 0.85 -1.43 4.61 0.00 -2.01 -3.46 119.26 116.93 1nqu h ALA 85 Ca 0.00 -0.46 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 1nqu h ALA 85 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1nqu h ALA 85 CO 0.00 0.64 -0.36 0.95 0.00 0.00 0.00 179.25 180.47 1nqu s THR 86 N -3.37 2.57 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.35 1nqu s THR 86 Ca 0.01 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1nqu s THR 86 Cb 0.10 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 71.10 1nqu s THR 86 CO 0.73 0.00 0.77 -0.81 -0.54 0.00 0.00 174.62 174.76 1nqu n PRO 87 N -1.58 0.65 -0.24 3.99 -0.04 -1.26 -4.10 135.00 132.42 1nqu n PRO 87 Ca 0.04 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1nqu n PRO 87 Cb 0.62 -1.06 0.15 0.00 -0.04 0.00 0.00 33.50 33.16 1nqu n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqu h HIS 88 N 0.00 0.05 -0.77 0.54 2.76 -1.94 -0.84 115.15 114.95 1nqu h HIS 88 Ca 0.00 0.05 0.15 0.00 -2.20 0.00 0.00 60.37 58.37 1nqu h HIS 88 Cb 0.00 0.09 -0.10 0.00 1.55 0.00 0.00 27.41 28.95 1nqu h HIS 88 CO 0.00 -0.17 0.30 0.35 -1.30 0.00 0.00 177.93 177.11 1nqu h PHE 89 N 0.15 0.51 -0.51 5.26 3.57 -1.92 -2.05 116.94 121.95 1nqu h PHE 89 Ca 0.38 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 1nqu h PHE 89 Cb 0.65 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1nqu h PHE 89 CO -0.35 0.04 0.25 -0.44 -2.23 0.00 0.00 178.31 175.57 1nqu h ASP 90 N 0.43 0.67 -0.37 0.41 3.45 -1.46 0.30 116.42 119.85 1nqu h ASP 90 Ca 0.43 -0.13 -0.16 0.00 0.43 0.00 0.00 57.03 57.60 1nqu h ASP 90 Cb 0.68 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1nqu h ASP 90 CO -0.43 0.61 -0.39 1.88 -1.57 0.00 0.00 179.24 179.34 1nqu h TYR 91 N 0.68 1.12 -0.14 4.55 0.05 -1.29 -0.29 116.97 121.64 1nqu h TYR 91 Ca 0.18 -0.34 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 1nqu h TYR 91 Cb 0.12 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 1nqu h TYR 91 CO -0.01 1.17 -0.05 0.82 -1.05 0.00 0.00 178.16 179.04 1nqu h ILE 92 N 0.76 1.30 -0.87 -2.88 2.04 -1.23 -2.15 117.51 114.47 1nqu h ILE 92 Ca 0.06 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1nqu h ILE 92 Cb 0.99 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1nqu h ILE 92 CO 0.10 0.30 0.52 0.00 0.00 0.00 0.00 178.15 179.06 1nqu h ALA 93 N 0.69 1.11 -0.28 1.87 0.00 -0.88 0.66 119.26 122.43 1nqu h ALA 93 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nqu h ALA 93 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nqu h ALA 93 CO 0.02 0.58 0.16 0.77 0.00 0.00 0.00 179.25 180.78 1nqu h SER 94 N 1.20 0.34 0.86 0.00 0.02 -1.01 -1.90 113.55 113.06 1nqu h SER 94 Ca 0.31 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 1nqu h SER 94 Cb -0.03 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1nqu h SER 94 CO -0.06 0.30 -0.85 -0.33 -1.14 0.00 0.00 176.83 174.75 1nqu h GLU 95 N 0.35 0.00 -0.30 3.45 4.39 -0.93 -0.80 114.58 120.74 1nqu h GLU 95 Ca 0.10 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 1nqu h GLU 95 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1nqu h GLU 95 CO -0.02 0.85 -0.15 0.28 -1.16 0.00 0.00 179.01 178.81 1nqu h VAL 96 N 0.00 1.29 -0.34 3.13 2.07 -0.82 -0.85 116.25 120.73 1nqu h VAL 96 Ca -0.01 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1nqu h VAL 96 Cb 1.52 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1nqu h VAL 96 CO 0.11 0.40 0.01 0.77 0.02 0.00 0.00 177.57 178.89 1nqu h SER 97 N 0.40 0.58 -0.64 0.57 4.64 -1.34 -2.27 113.55 115.49 1nqu h SER 97 Ca 0.07 -0.30 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 1nqu h SER 97 Cb 0.68 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 1nqu h SER 97 CO 0.05 0.74 0.27 0.50 -0.87 0.00 0.00 176.83 177.51 1nqu h LYS 98 N 0.41 0.95 -0.13 4.77 3.64 -1.10 -2.11 116.57 123.00 1nqu h LYS 98 Ca 0.10 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1nqu h LYS 98 Cb 0.43 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1nqu h LYS 98 CO 0.02 0.79 0.06 0.78 -2.27 0.00 0.00 179.45 178.82 1nqu h GLY 99 N 0.89 0.20 0.99 5.01 0.00 -1.08 0.10 103.07 109.18 1nqu h GLY 99 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1nqu h GLY 99 CO -0.02 0.10 0.28 1.41 0.00 0.00 0.00 176.54 178.31 1nqu h LEU 100 N 0.07 0.75 -0.48 3.11 3.38 -1.36 -0.50 115.31 120.28 1nqu h LEU 100 Ca 0.04 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1nqu h LEU 100 Cb 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nqu h LEU 100 CO -0.00 0.67 0.05 0.00 0.09 0.00 0.00 178.44 179.25 1nqu h ALA 101 N 1.11 0.65 -0.53 1.53 0.00 -1.16 -1.83 119.26 119.02 1nqu h ALA 101 Ca 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1nqu h ALA 101 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nqu h ALA 101 CO -0.03 0.40 0.21 -0.91 0.00 0.00 0.00 179.25 178.93 1nqu h ASN 102 N 0.69 0.73 -0.77 0.00 -0.26 -0.81 -2.70 115.58 112.46 1nqu h ASN 102 Ca 0.14 -0.17 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1nqu h ASN 102 Cb 0.43 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 1nqu h ASN 102 CO 0.01 0.70 0.38 -0.07 -1.06 0.00 0.00 177.43 177.39 1nqu h LEU 103 N 0.72 1.00 -0.67 1.61 3.38 -0.91 0.11 115.31 120.55 1nqu h LEU 103 Ca 0.18 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1nqu h LEU 103 Cb 0.20 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1nqu h LEU 103 CO -0.01 0.85 0.43 -1.28 0.09 0.00 0.00 178.44 178.51 1nqu h SER 104 N 1.09 0.71 -0.27 -0.43 0.87 -1.12 0.47 113.55 114.86 1nqu h SER 104 Ca 0.27 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1nqu h SER 104 Cb 0.11 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1nqu h SER 104 CO -0.03 0.50 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.35 1nqu h LEU 105 N 0.84 0.77 -0.58 2.23 3.38 -1.14 -0.36 115.31 120.44 1nqu h LEU 105 Ca 0.26 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1nqu h LEU 105 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1nqu h LEU 105 CO -0.09 1.11 0.21 -0.08 0.09 0.00 0.00 178.44 179.68 1nqu h GLU 106 N 0.44 0.88 -0.02 1.13 4.81 -0.65 -3.00 114.58 118.17 1nqu h GLU 106 Ca 0.03 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1nqu h GLU 106 Cb 0.93 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1nqu h GLU 106 CO 0.08 0.77 -0.04 1.28 -0.73 0.00 0.00 179.01 180.37 1nqu n LEU 107 N -4.46 1.91 -3.96 1.64 4.77 0.13 -4.96 117.00 112.07 1nqu n LEU 107 Ca 0.03 -0.63 -0.29 0.00 -0.03 0.00 0.00 56.01 55.09 1nqu n LEU 107 Cb 0.18 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1nqu n LEU 107 CO 0.39 0.32 -0.23 0.54 -1.33 0.00 0.00 177.39 177.08 1nqu n ARG 108 N 0.43 -2.30 -3.76 3.23 1.74 -0.19 -4.98 116.66 110.84 1nqu n ARG 108 Ca 0.17 0.34 -0.13 0.00 -0.77 0.00 0.00 57.85 57.46 1nqu n ARG 108 Cb 0.43 -4.14 -0.12 0.00 -1.02 0.00 0.00 32.46 27.61 1nqu n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqu s LYS 109 N -6.63 0.28 0.18 5.56 2.20 -0.95 -5.06 119.74 115.32 1nqu s LYS 109 Ca 0.14 0.44 -0.32 0.00 -0.36 0.00 0.00 55.97 55.87 1nqu s LYS 109 Cb -0.06 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.22 1nqu s LYS 109 CO 0.91 -0.08 1.58 -2.14 -0.36 0.00 0.00 175.35 175.26 1nqu s PRO 110 N 0.55 4.20 -0.14 4.03 0.02 -1.26 -4.48 135.00 137.91 1nqu s PRO 110 Ca -0.03 2.40 -0.00 0.00 0.02 0.00 0.00 61.00 63.38 1nqu s PRO 110 Cb -0.05 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1nqu s PRO 110 CO -0.03 -0.62 -0.07 0.42 -0.33 0.00 0.00 177.00 176.37 1nqu s ILE 111 N 1.06 1.10 0.27 2.83 1.01 -1.26 -1.59 121.20 124.63 1nqu s ILE 111 Ca 0.70 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1nqu s ILE 111 Cb -0.45 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1nqu s ILE 111 CO 0.32 0.24 0.40 0.42 0.00 0.00 0.00 174.94 176.32 1nqu s THR 112 N 1.65 4.87 -0.54 2.92 -4.23 0.59 -4.94 115.64 115.96 1nqu s THR 112 Ca 0.03 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1nqu s THR 112 Cb -0.14 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 70.13 1nqu s THR 112 CO -0.08 -0.27 0.34 0.12 -0.54 0.00 0.00 174.62 174.18 1nqu s PHE 113 N -2.05 3.46 -0.45 3.99 5.36 -1.26 -1.63 117.98 125.40 1nqu s PHE 113 Ca 0.38 -2.66 0.04 0.00 -0.96 0.00 0.00 56.93 53.72 1nqu s PHE 113 Cb -0.09 -3.17 0.49 0.00 -0.34 0.00 0.00 43.02 39.91 1nqu s PHE 113 CO 0.30 -0.88 1.66 0.41 -1.46 0.00 0.00 175.22 175.24 1nqu n GLY 114 N 3.84 5.63 3.56 13.12 0.00 0.10 -4.73 105.19 126.71 1nqu n GLY 114 Ca 0.04 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 1nqu n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqu s VAL 115 N -4.21 5.27 0.19 1.61 1.01 -1.21 -2.97 120.40 120.09 1nqu s VAL 115 Ca 0.55 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1nqu s VAL 115 Cb 0.45 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1nqu s VAL 115 CO 0.02 0.07 1.12 -0.63 0.00 0.00 0.00 175.10 175.68 1nqu s ILE 116 N 1.79 3.76 -0.48 2.22 1.01 -0.35 -4.93 121.20 124.23 1nqu s ILE 116 Ca 0.08 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.30 1nqu s ILE 116 Cb -0.17 -3.99 0.14 0.00 0.01 0.00 0.00 42.46 38.46 1nqu s ILE 116 CO 0.11 0.28 0.29 0.42 0.00 0.00 0.00 174.94 176.03 1nqu s THR 117 N -0.32 1.55 0.05 2.92 -4.23 -1.26 -0.70 115.64 113.65 1nqu s THR 117 Ca 0.49 -2.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 1nqu s THR 117 Cb -0.30 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1nqu s THR 117 CO 0.36 -0.94 0.07 0.00 -0.54 0.00 0.00 174.62 173.57 1nqu s ALA 118 N 0.03 3.55 0.13 3.99 0.00 0.26 -5.01 121.76 124.70 1nqu s ALA 118 Ca 0.20 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1nqu s ALA 118 Cb -0.18 -1.47 -0.14 0.00 0.00 0.00 0.00 23.12 21.33 1nqu s ALA 118 CO -0.04 0.72 1.29 -0.44 0.00 0.00 0.00 175.76 177.29 1nqu h ASP 119 N 3.63 0.19 -3.83 0.00 3.32 -1.93 -0.47 116.42 117.33 1nqu h ASP 119 Ca -0.48 -0.19 -0.35 0.00 0.02 0.00 0.00 57.03 56.04 1nqu h ASP 119 Cb 1.17 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.51 1nqu h ASP 119 CO 0.64 1.08 -0.71 0.42 -1.72 0.00 0.00 179.24 178.95 1nqu s THR 120 N -2.89 1.26 0.21 0.35 -4.23 -1.26 -3.97 115.64 105.11 1nqu s THR 120 Ca -0.02 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.31 1nqu s THR 120 Cb 0.09 -1.92 0.16 0.00 1.34 0.00 0.00 72.50 72.18 1nqu s THR 120 CO 0.84 -0.69 1.86 0.25 -0.54 0.00 0.00 174.62 176.34 1nqu h LEU 121 N 2.72 0.92 -0.67 4.79 5.85 -1.92 -2.16 115.31 124.84 1nqu h LEU 121 Ca -0.37 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1nqu h LEU 121 Cb 1.20 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1nqu h LEU 121 CO 0.63 0.70 0.40 -0.08 -0.34 0.00 0.00 178.44 179.75 1nqu h GLU 122 N 1.06 0.74 -0.80 1.25 4.81 -1.99 -0.22 114.58 119.42 1nqu h GLU 122 Ca 0.28 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1nqu h GLU 122 Cb -0.06 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1nqu h GLU 122 CO -0.06 0.49 0.44 1.96 -0.73 0.00 0.00 179.01 181.11 1nqu h GLN 123 N 0.76 1.11 -0.46 1.92 4.20 -1.86 -0.84 115.11 119.93 1nqu h GLN 123 Ca 0.28 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1nqu h GLN 123 Cb 0.10 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1nqu h GLN 123 CO -0.14 0.81 0.15 0.00 -0.67 0.00 0.00 178.83 178.97 1nqu h ALA 124 N 1.37 0.60 -0.61 3.87 0.00 -0.63 -2.77 119.26 121.10 1nqu h ALA 124 Ca 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nqu h ALA 124 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1nqu h ALA 124 CO -0.05 0.25 0.32 0.82 0.00 0.00 0.00 179.25 180.59 1nqu h ILE 125 N 0.61 1.20 -0.82 0.00 2.04 -0.68 -2.14 117.51 117.72 1nqu h ILE 125 Ca 0.15 -0.53 0.16 0.00 1.00 0.00 0.00 64.86 65.64 1nqu h ILE 125 Cb 0.26 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1nqu h ILE 125 CO -0.01 0.22 0.54 -0.33 0.00 0.00 0.00 178.15 178.58 1nqu h GLU 126 N 0.83 0.45 -0.09 2.37 5.08 -1.00 -2.39 114.58 119.83 1nqu h GLU 126 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nqu h GLU 126 Cb 0.07 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nqu h GLU 126 CO -0.03 0.30 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 1nqu n ARG 127 N -4.50 2.32 -2.26 2.33 1.74 -0.86 0.01 116.66 115.44 1nqu n ARG 127 Ca 0.16 -1.94 -0.31 0.00 -0.77 0.00 0.00 57.85 55.00 1nqu n ARG 127 Cb 0.57 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 1nqu n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqu n ALA 128 N 1.31 5.53 -0.28 7.54 0.00 -0.87 -1.78 120.51 131.97 1nqu n ALA 128 Ca 0.15 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1nqu n ALA 128 Cb 0.59 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1nqu n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqu n GLY 129 N -0.52 0.95 0.00 0.00 0.00 0.38 -4.72 105.19 101.28 1nqu n GLY 129 Ca 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1nqu n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqu n THR 130 N -2.18 0.00 0.30 2.61 -2.24 -1.17 -4.93 114.28 106.68 1nqu n THR 130 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 1nqu n THR 130 Cb 0.02 0.00 0.84 0.00 -2.10 0.00 0.00 70.33 69.09 1nqu n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqu h LYS 131 N 0.00 0.00 -0.46 -0.78 2.10 -1.81 -1.39 116.57 114.23 1nqu h LYS 131 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 1nqu h LYS 131 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1nqu h LYS 131 CO 0.00 0.00 0.08 0.72 -2.00 0.00 0.00 179.45 178.25 1nqu n HIS 132 N -2.84 1.47 -3.33 0.07 8.25 0.10 -5.04 115.22 113.89 1nqu n HIS 132 Ca -0.01 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 1nqu n HIS 132 Cb 0.17 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1nqu n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqu n GLY 133 N -0.92 -1.13 2.71 -1.41 0.00 -0.52 -4.64 105.19 99.27 1nqu n GLY 133 Ca 0.35 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 1nqu n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqu s ASN 134 N -4.00 2.54 0.48 1.61 3.84 -1.26 -0.47 114.94 117.68 1nqu s ASN 134 Ca 0.00 -0.65 0.24 0.00 0.21 0.00 0.00 52.86 52.66 1nqu s ASN 134 Cb 0.00 -0.47 1.19 0.00 -0.55 0.00 0.00 41.25 41.42 1nqu s ASN 134 CO 0.00 -0.30 1.97 0.50 -2.79 0.00 0.00 177.10 176.48 1nqu h LYS 135 N 8.31 0.00 -0.12 0.43 1.63 -1.66 -1.89 116.57 123.26 1nqu h LYS 135 Ca -0.16 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1nqu h LYS 135 Cb 1.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1nqu h LYS 135 CO 0.31 0.19 0.02 0.78 -3.45 0.00 0.00 179.45 177.30 1nqu h GLY 136 N 1.21 0.21 0.73 5.01 0.00 -1.83 -1.18 103.07 107.22 1nqu h GLY 136 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1nqu h GLY 136 CO 0.02 0.13 0.31 -0.25 0.00 0.00 0.00 176.54 176.75 1nqu h TRP 137 N -0.03 0.56 -0.50 5.60 7.01 -1.56 -1.25 115.95 125.79 1nqu h TRP 137 Ca 0.04 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1nqu h TRP 137 Cb 0.30 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1nqu h TRP 137 CO 0.02 0.28 0.18 0.93 -2.79 0.00 0.00 178.44 177.06 1nqu h GLU 138 N 0.59 0.76 -0.10 2.65 5.08 -1.26 -0.78 114.58 121.52 1nqu h GLU 138 Ca 0.25 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1nqu h GLU 138 Cb 0.13 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1nqu h GLU 138 CO -0.16 0.69 -0.42 0.00 -1.00 0.00 0.00 179.01 178.13 1nqu h ALA 139 N 1.03 1.11 -0.23 3.43 0.00 -1.10 -1.50 119.26 121.99 1nqu h ALA 139 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1nqu h ALA 139 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nqu h ALA 139 CO -0.01 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.76 1nqu h ALA 140 N 1.38 0.33 -0.83 0.00 0.00 -0.95 -1.16 119.26 118.02 1nqu h ALA 140 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1nqu h ALA 140 Cb 0.82 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1nqu h ALA 140 CO 0.06 0.14 0.49 1.25 0.00 0.00 0.00 179.25 181.19 1nqu h LEU 141 N 0.19 1.01 -0.86 0.00 5.85 -0.93 -0.19 115.31 120.39 1nqu h LEU 141 Ca 0.06 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1nqu h LEU 141 Cb 0.55 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1nqu h LEU 141 CO 0.03 0.79 0.57 -1.28 -0.34 0.00 0.00 178.44 178.21 1nqu h SER 142 N 1.15 1.00 -0.25 1.25 0.87 -1.15 -1.98 113.55 114.44 1nqu h SER 142 Ca 0.30 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 1nqu h SER 142 Cb -0.02 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1nqu h SER 142 CO -0.05 0.73 -0.17 0.00 -0.53 0.00 0.00 176.83 176.81 1nqu h ALA 143 N 1.31 1.01 -0.05 6.23 0.00 -0.07 0.49 119.26 128.19 1nqu h ALA 143 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nqu h ALA 143 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1nqu h ALA 143 CO -0.07 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.62 1nqu h ILE 144 N 0.62 1.03 -0.48 0.00 2.04 -0.78 -0.09 117.51 119.85 1nqu h ILE 144 Ca 0.10 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1nqu h ILE 144 Cb 0.63 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1nqu h ILE 144 CO 0.04 0.03 0.30 -0.08 0.00 0.00 0.00 178.15 178.44 1nqu h GLU 145 N 0.04 0.64 -0.45 2.37 4.81 -1.02 -1.84 114.58 119.12 1nqu h GLU 145 Ca 0.02 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1nqu h GLU 145 Cb 0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1nqu h GLU 145 CO -0.00 0.45 -0.13 0.52 -0.73 0.00 0.00 179.01 179.12 1nqu h MET 146 N 0.64 0.89 -0.57 1.92 2.86 -0.73 -0.02 114.93 119.93 1nqu h MET 146 Ca 0.17 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1nqu h MET 146 Cb -0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1nqu h MET 146 CO -0.03 0.99 0.33 0.00 1.06 0.00 0.00 176.91 179.26 1nqu h ALA 147 N 0.87 0.73 -0.49 6.32 0.00 -0.85 0.46 119.26 126.29 1nqu h ALA 147 Ca 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nqu h ALA 147 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1nqu h ALA 147 CO 0.05 0.22 0.15 -0.91 0.00 0.00 0.00 179.25 178.76 1nqu h ASN 148 N 0.77 0.71 -0.46 0.00 2.35 -1.19 -2.35 115.58 115.41 1nqu h ASN 148 Ca 0.20 -0.21 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1nqu h ASN 148 Cb 0.01 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 1nqu h ASN 148 CO -0.04 0.73 0.20 0.25 -1.65 0.00 0.00 177.43 176.92 1nqu h LEU 149 N 0.66 0.25 -2.03 1.61 5.85 -0.67 -2.40 115.31 118.57 1nqu h LEU 149 Ca 0.16 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1nqu h LEU 149 Cb 0.27 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nqu h LEU 149 CO -0.00 0.18 -0.00 -0.26 -0.34 0.00 0.00 178.44 178.01 1nqu h PHE 150 N 0.39 0.00 0.00 1.25 -1.00 -0.59 -0.70 116.94 116.30 1nqu h PHE 150 Ca 0.21 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1nqu h PHE 150 Cb 0.16 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 1nqu h PHE 150 CO -0.13 0.00 -0.05 0.87 -1.61 0.00 0.00 178.31 177.39 1nqu h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -0.90 -1.59 116.57 117.16 1nqu h LYS 151 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1nqu h LYS 151 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1nqu h LYS 151 CO 0.00 0.05 -2.12 -1.13 -0.57 0.00 0.00 179.45 175.68 1nqu n SER 152 N -4.40 0.81 0.09 0.86 3.41 -0.62 -4.71 113.62 109.05 1nqu n SER 152 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.41 1nqu n SER 152 Cb 0.14 1.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.98 1nqu n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqu h LEU 153 N 0.00 0.46 -0.06 1.04 5.85 -1.05 -3.53 115.31 118.02 1nqu h LEU 153 Ca -0.40 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 57.76 1nqu h LEU 153 Cb 1.89 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1nqu h LEU 153 CO 0.02 1.46 0.00 -1.14 -0.34 0.00 0.00 178.44 178.44