#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s ALA 2 N 0.00 3.19 -1.34 0.00 0.00 -1.26 -4.98 121.76 117.37 2qba s ALA 2 Ca 0.00 0.15 0.25 0.00 0.00 0.00 0.00 51.96 52.36 2qba s ALA 2 Cb 0.00 -2.94 0.42 0.00 0.00 0.00 0.00 23.12 20.60 2qba s ALA 2 CO 0.00 0.14 1.35 1.63 0.00 0.00 0.00 175.76 178.88 2qba n LYS 3 N -0.75 0.38 -3.59 0.00 5.02 -1.26 -4.66 118.16 113.31 2qba n LYS 3 Ca 0.05 -0.25 -0.29 0.00 -2.02 0.00 0.00 58.31 55.79 2qba n LYS 3 Cb 0.54 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 2qba n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qba s ILE 4 N -2.79 0.48 0.00 -0.18 -1.09 -1.26 -4.90 121.20 111.45 2qba s ILE 4 Ca 0.15 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 2qba s ILE 4 Cb 0.18 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.70 2qba s ILE 4 CO 0.66 -0.82 0.00 0.54 -1.23 0.00 0.00 174.94 174.08 2qba n ARG 5 N 4.50 -1.04 0.00 2.79 5.12 -1.26 -4.97 116.66 121.80 2qba n ARG 5 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 2qba n ARG 5 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 2qba n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qba n ARG 6 N -1.44 0.00 -3.10 5.56 3.00 -1.26 -4.38 116.66 115.04 2qba n ARG 6 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.40 2qba n ARG 6 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 32.46 32.40 2qba n ARG 6 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2qba s ASP 7 N -2.60 6.34 0.47 6.15 1.47 -1.20 -4.37 116.67 122.93 2qba s ASP 7 Ca 0.00 -1.71 0.05 0.00 1.18 0.00 0.00 52.55 52.08 2qba s ASP 7 Cb 0.00 -2.31 -0.02 0.00 -0.34 0.00 0.00 42.92 40.25 2qba s ASP 7 CO 0.00 -1.04 0.20 -1.81 0.68 0.00 0.00 175.17 173.20 2qba s ASP 8 N 3.42 4.41 -1.11 2.11 -0.00 -1.26 -4.72 116.67 119.52 2qba s ASP 8 Ca 0.16 -1.26 -0.08 0.00 -0.00 0.00 0.00 52.55 51.38 2qba s ASP 8 Cb -0.19 -0.01 0.29 0.00 -0.00 0.00 0.00 42.92 43.02 2qba s ASP 8 CO 0.01 -0.77 1.24 1.21 -0.00 0.00 0.00 175.17 176.87 2qba n GLU 9 N -1.39 3.84 -2.68 8.23 4.07 -1.26 -1.33 120.64 130.12 2qba n GLU 9 Ca -0.05 -4.48 -0.33 0.00 -0.06 0.00 0.00 57.16 52.24 2qba n GLU 9 Cb 0.65 -2.55 -0.06 0.00 -0.06 0.00 0.00 31.44 29.43 2qba n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qba s VAL 10 N -1.72 4.39 -0.23 6.31 -7.23 -1.12 0.24 120.40 121.04 2qba s VAL 10 Ca 0.31 1.39 0.09 0.00 -1.81 0.00 0.00 61.98 61.96 2qba s VAL 10 Cb -0.05 -3.62 -0.20 0.00 0.56 0.00 0.00 36.38 33.07 2qba s VAL 10 CO -0.02 -0.42 -0.10 0.00 -0.31 0.00 0.00 175.10 174.26 2qba n ILE 11 N -0.93 1.41 -1.73 -0.62 0.00 0.29 -2.26 119.36 115.52 2qba n ILE 11 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 62.75 62.12 2qba n ILE 11 Cb 0.54 -0.99 -0.01 0.00 0.00 0.00 0.00 39.64 39.18 2qba n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qba n VAL 12 N -3.02 -5.81 -1.44 9.51 0.31 -1.26 -0.87 118.33 115.75 2qba n VAL 12 Ca -0.39 0.85 -0.12 0.00 -0.01 0.00 0.00 64.34 64.66 2qba n VAL 12 Cb 1.05 -4.30 0.17 0.00 -0.91 0.00 0.00 33.84 29.86 2qba n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qba n LEU 13 N 0.51 5.04 0.00 7.52 -0.00 -0.59 -3.47 117.00 126.01 2qba n LEU 13 Ca -0.10 -3.86 0.00 0.00 -0.00 0.00 0.00 56.01 52.05 2qba n LEU 13 Cb 0.16 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 2qba n LEU 13 CO 0.09 1.30 0.00 1.07 -0.00 0.00 0.00 177.39 179.85 2qba n THR 14 N -1.09 0.00 -2.70 1.47 5.66 -1.20 -4.95 114.28 111.47 2qba n THR 14 Ca 0.42 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 61.20 2qba n THR 14 Cb 1.15 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 70.01 2qba n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2qba s GLY 15 N 0.00 1.77 0.00 1.09 0.00 -1.26 -4.26 107.32 104.66 2qba s GLY 15 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2qba s GLY 15 CO 0.00 -1.26 0.00 0.28 0.00 0.00 0.00 173.10 172.12 2qba n LYS 16 N -2.59 0.00 -1.33 2.90 4.76 -1.26 -3.06 118.16 117.58 2qba n LYS 16 Ca 0.14 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 2qba n LYS 16 Cb 0.61 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.77 2qba n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qba n ASP 17 N 1.06 6.89 0.00 4.39 10.43 -1.26 -4.80 116.55 133.25 2qba n ASP 17 Ca 0.00 -2.60 0.00 0.00 2.57 0.00 0.00 54.79 54.76 2qba n ASP 17 Cb 0.00 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 41.46 2qba n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qba n LYS 18 N 4.39 0.00 -1.41 -1.24 0.00 -1.17 -4.62 118.16 114.11 2qba n LYS 18 Ca 0.67 0.00 -0.51 0.00 0.00 0.00 0.00 58.31 58.47 2qba n LYS 18 Cb 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.20 2qba n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qba n GLY 19 N 1.01 0.24 0.00 3.14 0.00 -1.23 -4.50 105.19 103.85 2qba n GLY 19 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2qba n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qba n LYS 20 N 8.11 0.00 -3.61 1.61 3.00 -0.05 -5.06 118.16 122.16 2qba n LYS 20 Ca 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.74 2qba n LYS 20 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.18 2qba n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qba s ARG 21 N 1.38 0.22 0.00 1.64 0.52 -1.21 -4.22 118.95 117.27 2qba s ARG 21 Ca 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 2qba s ARG 21 Cb 0.00 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.57 2qba s ARG 21 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2qba n GLY 22 N -0.10 3.05 3.67 -3.53 0.00 -0.96 -4.93 105.19 102.40 2qba n GLY 22 Ca 0.01 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2qba n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s LYS 23 N -2.00 4.26 -0.84 1.61 3.01 -1.25 -2.78 119.74 121.76 2qba s LYS 23 Ca 0.00 1.76 -0.26 0.00 -1.01 0.00 0.00 55.97 56.47 2qba s LYS 23 Cb 0.00 -3.72 -0.13 0.00 -1.01 0.00 0.00 37.83 32.97 2qba s LYS 23 CO 0.00 -0.65 2.32 0.08 0.51 0.00 0.00 175.35 177.61 2qba s VAL 24 N 3.14 3.08 0.31 3.17 1.01 -0.44 -1.07 120.40 129.60 2qba s VAL 24 Ca 0.58 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2qba s VAL 24 Cb -0.25 -3.26 0.31 0.00 0.00 0.00 0.00 36.38 33.18 2qba s VAL 24 CO 0.19 -0.16 1.70 0.11 0.00 0.00 0.00 175.10 176.94 2qba h LYS 25 N 12.35 0.44 -1.56 2.72 1.57 -0.60 -3.17 116.57 128.32 2qba h LYS 25 Ca 0.02 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2qba h LYS 25 Cb 1.00 -0.10 -0.26 0.00 0.08 0.00 0.00 32.23 32.95 2qba h LYS 25 CO 1.04 0.29 0.50 1.21 -0.57 0.00 0.00 179.45 181.92 2qba s ASN 26 N -5.14 -0.41 -0.30 0.86 2.47 -1.17 -4.80 114.94 106.45 2qba s ASN 26 Ca -0.11 0.69 -0.07 0.00 0.42 0.00 0.00 52.86 53.79 2qba s ASN 26 Cb 0.27 0.67 0.01 0.00 -1.45 0.00 0.00 41.25 40.75 2qba s ASN 26 CO 0.79 -0.20 0.10 0.54 -3.72 0.00 0.00 177.10 174.60 2qba s VAL 27 N -0.18 4.10 0.20 -5.21 0.11 -1.26 0.22 120.40 118.37 2qba s VAL 27 Ca 0.02 -0.65 -0.24 0.00 -2.93 0.00 0.00 61.98 58.18 2qba s VAL 27 Cb -0.04 -3.12 -0.08 0.00 -1.53 0.00 0.00 36.38 31.62 2qba s VAL 27 CO -0.04 0.07 0.78 -0.76 -3.33 0.00 0.00 175.10 171.82 2qba s LEU 28 N 1.52 4.51 0.28 2.54 1.43 0.84 -4.92 118.68 124.88 2qba s LEU 28 Ca 0.03 1.62 0.17 0.00 -1.03 0.00 0.00 54.13 54.92 2qba s LEU 28 Cb -0.17 -3.44 0.94 0.00 0.03 0.00 0.00 46.19 43.54 2qba s LEU 28 CO 0.03 0.14 1.51 -1.54 0.23 0.00 0.00 176.35 176.72 2qba n SER 29 N 1.28 0.45 0.06 2.29 3.41 -1.26 -0.88 113.62 118.97 2qba n SER 29 Ca -0.04 0.69 0.05 0.00 -0.26 0.00 0.00 58.87 59.31 2qba n SER 29 Cb 0.49 -0.73 0.27 0.00 -0.26 0.00 0.00 64.21 63.98 2qba n SER 29 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2qba n SER 30 N -2.11 0.24 0.00 4.04 2.88 -1.26 -4.77 113.62 112.64 2qba n SER 30 Ca -0.01 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2qba n SER 30 Cb 0.08 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2qba n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qba n GLY 31 N -1.11 0.30 3.70 0.46 0.00 -0.06 -5.06 105.19 103.42 2qba n GLY 31 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2qba n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s LYS 32 N -0.94 2.55 0.43 1.61 1.02 -1.20 -1.89 119.74 121.31 2qba s LYS 32 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.05 2qba s LYS 32 Cb 0.00 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2qba s LYS 32 CO 0.00 0.49 0.05 0.14 -0.92 0.00 0.00 175.35 175.11 2qba s VAL 33 N -1.59 1.13 -0.10 3.17 -7.23 0.03 -0.12 120.40 115.69 2qba s VAL 33 Ca 0.28 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2qba s VAL 33 Cb -0.10 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.38 2qba s VAL 33 CO 0.19 0.00 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.24 2qba s ILE 34 N -3.03 1.25 -0.21 -0.62 1.01 0.13 -1.03 121.20 118.70 2qba s ILE 34 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 2qba s ILE 34 Cb 0.05 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2qba s ILE 34 CO 0.11 0.39 0.07 -0.69 0.00 0.00 0.00 174.94 174.83 2qba s VAL 35 N 1.16 4.62 -0.38 2.92 1.01 -1.26 0.08 120.40 128.56 2qba s VAL 35 Ca -0.04 -0.08 -0.40 0.00 0.00 0.00 0.00 61.98 61.46 2qba s VAL 35 Cb -0.14 -3.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 2qba s VAL 35 CO -0.03 0.41 2.01 1.21 0.00 0.00 0.00 175.10 178.70 2qba n GLU 36 N 4.06 0.74 -3.31 2.72 2.13 -0.23 -1.36 120.64 125.39 2qba n GLU 36 Ca -0.16 0.23 -0.16 0.00 0.66 0.00 0.00 57.16 57.73 2qba n GLU 36 Cb 0.52 -2.04 0.07 0.00 0.27 0.00 0.00 31.44 30.26 2qba n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qba n GLY 37 N 5.96 -1.01 0.00 8.31 0.00 -1.26 -4.62 105.19 112.57 2qba n GLY 37 Ca 0.40 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.91 2qba n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qba n ILE 38 N -3.45 0.00 -3.14 -0.61 0.13 -0.47 -4.90 119.36 106.92 2qba n ILE 38 Ca -0.11 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.31 2qba n ILE 38 Cb 0.63 -0.52 -0.04 0.00 -0.84 0.00 0.00 39.64 38.87 2qba n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qba n ASN 39 N -1.90 2.16 -4.79 9.51 2.85 -1.26 -4.83 115.26 116.99 2qba n ASN 39 Ca 0.00 -3.21 -0.31 0.00 -0.11 0.00 0.00 54.58 50.94 2qba n ASN 39 Cb 0.35 -0.61 0.07 0.00 1.24 0.00 0.00 39.78 40.84 2qba n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qba s LEU 40 N -2.56 3.09 0.00 1.20 1.02 -1.25 -0.90 118.68 119.28 2qba s LEU 40 Ca 0.42 1.76 0.00 0.00 0.02 0.00 0.00 54.13 56.33 2qba s LEU 40 Cb 0.28 -4.51 0.00 0.00 0.02 0.00 0.00 46.19 41.98 2qba s LEU 40 CO -0.10 -1.81 0.00 1.33 0.02 0.00 0.00 176.35 175.80 2qba n VAL 41 N -3.32 0.00 -2.72 -1.59 0.24 0.25 -4.88 118.33 106.31 2qba n VAL 41 Ca 0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.34 2qba n VAL 41 Cb 0.53 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.99 2qba n VAL 41 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2qba n LYS 42 N 0.00 1.37 -1.62 7.34 4.01 -1.26 -4.05 118.16 123.95 2qba n LYS 42 Ca 0.00 -2.40 -0.53 0.00 -0.51 0.00 0.00 58.31 54.87 2qba n LYS 42 Cb 0.00 -0.57 -0.07 0.00 -0.51 0.00 0.00 35.03 33.88 2qba n LYS 42 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2qba n LYS 43 N -0.75 1.35 -2.45 1.97 0.00 -1.26 -4.54 118.16 112.48 2qba n LYS 43 Ca -0.02 0.46 -0.39 0.00 0.00 0.00 0.00 58.31 58.37 2qba n LYS 43 Cb 0.84 -2.32 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 2qba n LYS 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2qba s HIS 44 N 4.84 2.46 -0.35 5.64 3.76 -1.26 -0.00 115.29 130.38 2qba s HIS 44 Ca 1.01 -0.76 -0.42 0.00 -0.15 0.00 0.00 55.06 54.74 2qba s HIS 44 Cb -0.93 -4.57 -0.17 0.00 1.11 0.00 0.00 32.58 28.02 2qba s HIS 44 CO 0.58 -1.81 1.69 0.94 -0.85 0.00 0.00 174.74 175.29 2qba n GLN 45 N 8.69 0.77 -2.90 1.40 -0.06 -0.96 -4.84 117.38 119.48 2qba n GLN 45 Ca 0.40 0.28 -0.43 0.00 -2.00 0.00 0.00 57.00 55.25 2qba n GLN 45 Cb 0.49 -1.90 -0.05 0.00 -4.06 0.00 0.00 30.24 24.72 2qba n GLN 45 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2qba s LYS 46 N 3.31 3.35 0.54 3.69 2.20 -1.26 -3.12 119.74 128.45 2qba s LYS 46 Ca 1.00 -0.23 -0.21 0.00 -0.36 0.00 0.00 55.97 56.17 2qba s LYS 46 Cb -1.21 -4.01 -0.06 0.00 -1.51 0.00 0.00 37.83 31.04 2qba s LYS 46 CO 0.71 -1.34 1.24 -0.35 -0.36 0.00 0.00 175.35 175.26 2qba n PRO 47 N 7.12 1.51 -3.67 4.03 -0.04 -1.26 -4.94 135.00 137.75 2qba n PRO 47 Ca 0.02 0.56 -0.28 0.00 -0.04 0.00 0.00 63.50 63.76 2qba n PRO 47 Cb 0.48 -2.44 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 2qba n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qba n VAL 48 N -1.10 2.00 -0.70 0.52 3.14 -1.26 -5.04 118.33 115.90 2qba n VAL 48 Ca 0.11 -5.05 -0.08 0.00 -2.96 0.00 0.00 64.34 56.36 2qba n VAL 48 Cb 0.44 -2.15 -0.09 0.00 -1.06 0.00 0.00 33.84 30.99 2qba n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qba n PRO 49 N 1.41 0.00 0.00 1.45 -0.02 -1.26 -4.38 135.00 132.20 2qba n PRO 49 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2qba n PRO 49 Cb 0.38 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 2qba n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qba n ALA 50 N 2.67 0.00 -1.21 3.55 0.00 -1.26 -5.09 120.51 119.17 2qba n ALA 50 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.72 2qba n ALA 50 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 2qba n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qba n LEU 51 N 0.00 -1.24 -3.97 0.00 0.00 -1.26 -4.79 117.00 105.74 2qba n LEU 51 Ca 0.00 2.17 -0.27 0.00 0.00 0.00 0.00 56.01 57.90 2qba n LEU 51 Cb 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 43.42 41.18 2qba n LEU 51 CO 0.00 -0.77 -0.14 0.59 0.00 0.00 0.00 177.39 177.07 2qba n ASN 52 N -2.55 -1.45 -2.43 1.96 4.13 -1.26 -4.88 115.26 108.79 2qba n ASN 52 Ca -0.01 -0.96 -0.17 0.00 1.68 0.00 0.00 54.58 55.11 2qba n ASN 52 Cb 0.40 -3.19 0.02 0.00 -1.54 0.00 0.00 39.78 35.47 2qba n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qba n GLN 53 N -4.41 2.75 -0.07 3.52 0.00 -1.26 -4.66 117.38 113.25 2qba n GLN 53 Ca -0.20 -3.97 -0.11 0.00 0.00 0.00 0.00 57.00 52.72 2qba n GLN 53 Cb 0.63 -1.96 -0.04 0.00 0.00 0.00 0.00 30.24 28.87 2qba n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qba h PRO 54 N 2.51 0.34 0.00 2.61 0.13 -1.96 -3.40 132.00 132.23 2qba h PRO 54 Ca 0.16 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2qba h PRO 54 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qba h PRO 54 CO 0.62 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 2qba n GLY 55 N -0.55 -1.95 0.00 1.56 0.00 -1.26 -4.85 105.19 98.14 2qba n GLY 55 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2qba n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 56 N 0.00 1.94 3.68 -0.02 0.00 -1.18 -4.88 105.19 104.73 2qba n GLY 56 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2qba n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qba n ILE 57 N 1.82 1.96 -3.36 -0.61 5.41 -1.26 -2.26 119.36 121.06 2qba n ILE 57 Ca 0.00 -0.49 -0.26 0.00 1.00 0.00 0.00 62.75 63.00 2qba n ILE 57 Cb 0.00 -1.45 -0.08 0.00 -0.71 0.00 0.00 39.64 37.39 2qba n ILE 57 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qba n VAL 58 N 0.37 0.22 -1.48 1.39 0.31 0.99 -4.85 118.33 115.29 2qba n VAL 58 Ca 0.06 -4.29 -0.43 0.00 -0.01 0.00 0.00 64.34 59.67 2qba n VAL 58 Cb 0.35 -1.96 -0.13 0.00 -0.91 0.00 0.00 33.84 31.19 2qba n VAL 58 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qba n GLU 59 N 1.60 0.19 -3.72 5.55 2.13 -1.26 -4.22 120.64 120.92 2qba n GLU 59 Ca 0.25 0.01 -0.20 0.00 0.66 0.00 0.00 57.16 57.88 2qba n GLU 59 Cb 0.47 -1.82 -0.05 0.00 0.27 0.00 0.00 31.44 30.32 2qba n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qba n LYS 60 N 8.46 1.04 0.00 5.31 3.00 -1.26 -4.71 118.16 130.00 2qba n LYS 60 Ca 0.60 -2.41 0.00 0.00 -0.00 0.00 0.00 58.31 56.50 2qba n LYS 60 Cb 0.11 0.84 0.00 0.00 0.00 0.00 0.00 35.03 35.97 2qba n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qba n GLU 61 N -0.77 0.80 0.00 1.64 -0.58 -1.26 0.85 120.64 121.32 2qba n GLU 61 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2qba n GLU 61 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 2qba n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qba n ALA 62 N -3.00 0.00 -0.63 0.62 0.00 -0.07 -4.14 120.51 113.28 2qba n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qba n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 63 N -0.18 -1.60 -2.25 0.00 0.00 -1.26 -5.08 120.51 110.15 2qba n ALA 63 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 2qba n ALA 63 Cb 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 2qba n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qba s ILE 64 N -2.84 0.69 -0.03 0.00 1.10 -0.20 -4.93 121.20 114.99 2qba s ILE 64 Ca 0.00 -1.84 -0.36 0.00 -0.51 0.00 0.00 60.65 57.94 2qba s ILE 64 Cb 0.00 -1.57 -0.14 0.00 0.15 0.00 0.00 42.46 40.91 2qba s ILE 64 CO 0.00 -0.82 1.68 0.00 -2.11 0.00 0.00 174.94 173.70 2qba n GLN 65 N 0.13 1.81 -0.30 3.50 1.13 -1.26 -0.79 117.38 121.59 2qba n GLN 65 Ca -0.13 0.66 0.27 0.00 -1.94 0.00 0.00 57.00 55.85 2qba n GLN 65 Cb 0.60 -2.42 0.60 0.00 0.11 0.00 0.00 30.24 29.14 2qba n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 2qba h VAL 66 N 4.56 0.50 0.00 5.09 3.04 -1.68 0.43 116.25 128.19 2qba h VAL 66 Ca -0.47 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2qba h VAL 66 Cb 1.29 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2qba h VAL 66 CO 0.91 0.04 0.00 -1.54 -1.01 0.00 0.00 177.57 175.97 2qba n SER 67 N -4.45 0.02 -0.99 3.17 3.41 -1.26 -2.94 113.62 110.58 2qba n SER 67 Ca 0.24 -1.48 0.04 0.00 -0.26 0.00 0.00 58.87 57.40 2qba n SER 67 Cb 0.98 -0.01 0.23 0.00 -0.26 0.00 0.00 64.21 65.15 2qba n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qba n ASN 68 N -0.48 3.37 -4.15 4.04 3.02 0.15 -4.99 115.26 116.22 2qba n ASN 68 Ca 0.00 -3.29 -0.11 0.00 -0.03 0.00 0.00 54.58 51.15 2qba n ASN 68 Cb 0.01 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 38.50 2qba n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qba s VAL 69 N -2.98 0.03 -0.06 2.41 -7.23 -1.15 -1.54 120.40 109.89 2qba s VAL 69 Ca 0.43 -1.88 -0.03 0.00 -1.81 0.00 0.00 61.98 58.69 2qba s VAL 69 Cb 0.36 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 35.03 2qba s VAL 69 CO 0.06 -0.15 0.13 0.00 -0.31 0.00 0.00 175.10 174.83 2qba s ALA 70 N -4.10 -0.23 -1.03 1.32 0.00 -1.26 -4.77 121.76 111.69 2qba s ALA 70 Ca 0.32 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 2qba s ALA 70 Cb 0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 2qba s ALA 70 CO 0.08 -0.13 1.94 0.96 0.00 0.00 0.00 175.76 178.61 2qba s ILE 71 N 0.93 3.49 -0.31 0.00 -4.36 -1.26 0.10 121.20 119.79 2qba s ILE 71 Ca -0.07 -0.61 -0.42 0.00 -0.26 0.00 0.00 60.65 59.29 2qba s ILE 71 Cb -0.09 -4.25 -0.17 0.00 1.25 0.00 0.00 42.46 39.19 2qba s ILE 71 CO -0.04 -0.96 1.67 0.33 0.24 0.00 0.00 174.94 176.18 2qba n PHE 72 N 14.19 1.92 0.61 1.37 7.35 0.65 -4.23 117.46 139.32 2qba n PHE 72 Ca 0.42 0.71 0.11 0.00 -0.76 0.00 0.00 57.45 57.93 2qba n PHE 72 Cb 0.47 -2.39 0.07 0.00 0.35 0.00 0.00 39.48 37.98 2qba n PHE 72 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2qba n ASN 73 N 4.81 0.63 0.00 -2.13 2.04 0.20 -4.68 115.26 116.13 2qba n ASN 73 Ca 0.27 -0.15 0.00 0.00 -0.44 0.00 0.00 54.58 54.26 2qba n ASN 73 Cb 0.08 0.61 0.00 0.00 -2.53 0.00 0.00 39.78 37.94 2qba n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qba n ALA 74 N -1.79 0.00 0.27 -2.53 0.00 -1.26 -4.54 120.51 110.66 2qba n ALA 74 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 2qba n ALA 74 Cb 0.43 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.76 2qba n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h ALA 75 N 0.00 1.08 0.00 0.00 0.00 -1.93 -3.08 119.26 115.33 2qba h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qba h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qba h ALA 75 CO 0.00 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.42 2qba n THR 76 N -2.71 0.00 -2.37 0.00 -2.24 -1.26 -5.05 114.28 100.65 2qba n THR 76 Ca -0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 2qba n THR 76 Cb 0.14 0.71 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 2qba n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qba n GLY 77 N 0.00 0.58 0.00 3.38 0.00 -1.17 -5.02 105.19 102.96 2qba n GLY 77 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2qba n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qba n LYS 78 N -1.13 0.00 -3.17 1.61 0.00 -1.26 -4.94 118.16 109.27 2qba n LYS 78 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.32 2qba n LYS 78 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.54 2qba n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qba s ALA 79 N -1.00 -2.49 -1.16 3.14 0.00 -1.26 0.61 121.76 119.61 2qba s ALA 79 Ca 0.00 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 2qba s ALA 79 Cb 0.00 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.38 2qba s ALA 79 CO 0.00 -2.09 1.90 -0.51 0.00 0.00 0.00 175.76 175.06 2qba s ASP 80 N 2.21 5.29 0.23 0.00 1.11 -1.26 -4.78 116.67 119.47 2qba s ASP 80 Ca 0.14 -1.62 0.00 0.00 0.18 0.00 0.00 52.55 51.25 2qba s ASP 80 Cb -0.06 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.35 2qba s ASP 80 CO -0.14 -2.78 0.00 0.54 1.18 0.00 0.00 175.17 173.97 2qba n ARG 81 N 8.39 0.00 0.05 8.23 3.00 -1.26 0.21 116.66 135.27 2qba n ARG 81 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.28 2qba n ARG 81 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 2qba n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qba n VAL 82 N 0.00 0.00 -1.21 1.55 0.31 -1.26 -4.79 118.33 112.93 2qba n VAL 82 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2qba n VAL 82 Cb 0.00 -0.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 2qba n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qba n GLY 83 N -0.37 -2.65 3.21 2.92 0.00 -1.26 0.79 105.19 107.82 2qba n GLY 83 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 2qba n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qba s PHE 84 N -3.22 -0.43 0.00 1.61 0.40 -1.26 -3.81 117.98 111.27 2qba s PHE 84 Ca 0.00 1.00 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 2qba s PHE 84 Cb 0.00 0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.68 2qba s PHE 84 CO 0.00 -0.24 0.00 -2.13 0.70 0.00 0.00 175.22 173.55 2qba n ARG 85 N 3.56 0.00 -3.45 0.44 0.00 -0.06 -5.04 116.66 112.11 2qba n ARG 85 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.68 2qba n ARG 85 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.03 2qba n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qba n PHE 86 N -1.40 -0.54 0.02 -0.14 -0.00 -1.16 -4.30 117.46 109.94 2qba n PHE 86 Ca 0.00 -0.65 -0.13 0.00 -0.00 0.00 0.00 57.45 56.66 2qba n PHE 86 Cb 0.00 0.30 -0.14 0.00 -0.00 0.00 0.00 39.48 39.65 2qba n PHE 86 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2qba h GLU 87 N 0.00 0.13 -6.59 -4.13 -0.00 -1.92 -3.48 114.58 98.59 2qba h GLU 87 Ca -0.17 -0.22 -0.50 0.00 -0.00 0.00 0.00 59.36 58.47 2qba h GLU 87 Cb 0.91 0.08 0.02 0.00 -0.00 0.00 0.00 28.75 29.76 2qba h GLU 87 CO 0.25 0.87 -0.11 0.34 -0.00 0.00 0.00 179.01 180.36 2qba s ASP 88 N -6.60 5.05 0.57 3.06 3.68 -1.26 -4.96 116.67 116.20 2qba s ASP 88 Ca -0.09 -0.89 0.31 0.00 2.13 0.00 0.00 52.55 54.01 2qba s ASP 88 Cb 0.08 0.34 1.43 0.00 -1.45 0.00 0.00 42.92 43.32 2qba s ASP 88 CO 0.82 -1.34 1.81 1.23 0.13 0.00 0.00 175.17 177.83 2qba h GLY 89 N 0.21 0.00 -6.42 2.66 0.00 -2.04 -3.40 103.07 94.09 2qba h GLY 89 Ca -0.30 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.43 2qba h GLY 89 CO 0.42 0.00 1.34 0.28 0.00 0.00 0.00 176.54 178.58 2qba n LYS 90 N -3.85 1.99 0.02 4.80 5.02 -1.26 -4.85 118.16 120.03 2qba n LYS 90 Ca 0.15 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.98 2qba n LYS 90 Cb 0.93 -2.91 -0.04 0.00 -0.02 0.00 0.00 35.03 32.99 2qba n LYS 90 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qba h LYS 91 N 12.44 -0.18 -4.33 1.97 3.64 -1.89 -3.36 116.57 124.86 2qba h LYS 91 Ca -0.42 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2qba h LYS 91 Cb 1.26 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2qba h LYS 91 CO 0.97 -0.12 -0.98 0.28 -2.27 0.00 0.00 179.45 177.33 2qba n VAL 92 N -5.27 -8.45 -3.19 2.00 0.31 -1.26 -0.89 118.33 101.59 2qba n VAL 92 Ca -0.04 2.98 -0.29 0.00 -0.01 0.00 0.00 64.34 66.97 2qba n VAL 92 Cb 0.19 -4.18 -0.03 0.00 -0.91 0.00 0.00 33.84 28.91 2qba n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qba s ARG 93 N -1.54 3.69 -0.13 5.55 0.52 -1.26 -2.08 118.95 123.69 2qba s ARG 93 Ca 0.00 0.17 -0.06 0.00 -0.52 0.00 0.00 55.73 55.32 2qba s ARG 93 Cb 0.00 -2.56 0.06 0.00 0.52 0.00 0.00 34.95 32.96 2qba s ARG 93 CO 0.00 0.14 0.30 -0.59 0.02 0.00 0.00 175.30 175.17 2qba s PHE 94 N -2.16 -0.44 0.06 -0.53 -0.12 0.24 -1.41 117.98 113.62 2qba s PHE 94 Ca 0.46 0.99 -0.30 0.00 -0.05 0.00 0.00 56.93 58.03 2qba s PHE 94 Cb -0.11 0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.29 2qba s PHE 94 CO 0.30 -0.30 1.88 -0.06 -0.05 0.00 0.00 175.22 176.99 2qba s PHE 95 N 1.63 1.67 1.18 3.49 0.40 -1.26 -3.99 117.98 121.10 2qba s PHE 95 Ca -0.07 -0.23 -0.17 0.00 -0.60 0.00 0.00 56.93 55.86 2qba s PHE 95 Cb -0.10 -4.19 0.21 0.00 0.51 0.00 0.00 43.02 39.45 2qba s PHE 95 CO -0.10 -5.13 0.42 1.63 0.70 0.00 0.00 175.22 172.74 2qba n LYS 96 N 6.81 -2.54 0.00 0.44 4.76 0.13 -0.15 118.16 127.61 2qba n LYS 96 Ca 0.19 -0.74 0.00 0.00 -2.87 0.00 0.00 58.31 54.89 2qba n LYS 96 Cb 0.40 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2qba n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qba n SER 97 N -3.02 0.00 0.00 4.39 3.41 -1.26 -4.05 113.62 113.09 2qba n SER 97 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2qba n SER 97 Cb 0.55 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2qba n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qba n ASN 98 N 0.43 0.06 -3.45 4.04 0.23 -1.19 -5.01 115.26 110.37 2qba n ASN 98 Ca 0.00 -0.35 -0.25 0.00 -0.53 0.00 0.00 54.58 53.46 2qba n ASN 98 Cb 0.00 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2qba n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qba n SER 99 N -0.19 -4.02 0.28 0.53 7.64 0.78 -4.78 113.62 113.86 2qba n SER 99 Ca 0.00 -0.46 0.15 0.00 1.01 0.00 0.00 58.87 59.56 2qba n SER 99 Cb 0.05 -3.30 0.78 0.00 -1.01 0.00 0.00 64.21 60.73 2qba n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qba h GLU 100 N -1.16 0.00 -5.60 1.43 4.57 -1.84 -3.45 114.58 108.53 2qba h GLU 100 Ca -0.46 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 2qba h GLU 100 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2qba h GLU 100 CO 0.57 0.00 -0.96 2.41 -1.18 0.00 0.00 179.01 179.85 2qba n THR 101 N -2.69 -8.54 0.00 0.32 -1.04 -1.26 -4.85 114.28 96.22 2qba n THR 101 Ca -0.02 1.25 0.00 0.00 -2.04 0.00 0.00 64.05 63.25 2qba n THR 101 Cb 0.27 -5.62 0.00 0.00 -1.82 0.00 0.00 70.33 63.16 2qba n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43