#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii7 s SER 3 N 0.00 4.95 0.14 1.96 1.04 -1.26 -4.33 113.70 116.20 2ii7 s SER 3 Ca 0.00 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.31 2ii7 s SER 3 Cb 0.00 -1.87 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 2ii7 s SER 3 CO 0.00 0.01 -0.21 -0.63 0.98 0.00 0.00 173.24 173.38 2ii7 s ILE 4 N 1.36 2.60 0.00 -1.02 1.01 -1.26 -5.06 121.20 118.84 2ii7 s ILE 4 Ca 0.05 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 58.99 2ii7 s ILE 4 Cb -0.15 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2ii7 s ILE 4 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2ii7 n GLY 5 N 0.64 -1.79 3.35 6.18 0.00 -1.26 -3.69 105.19 108.63 2ii7 n GLY 5 Ca -0.15 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2ii7 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii7 s ARG 6 N 0.00 1.47 0.00 1.61 1.70 -0.84 -4.69 118.95 118.20 2ii7 s ARG 6 Ca 0.00 -1.60 0.26 0.00 -0.47 0.00 0.00 55.73 53.92 2ii7 s ARG 6 Cb 0.00 0.35 1.04 0.00 -0.57 0.00 0.00 34.95 35.77 2ii7 s ARG 6 CO 0.00 -0.55 1.73 0.25 -1.08 0.00 0.00 175.30 175.65 2ii7 n THR 7 N -0.39 0.06 -3.71 4.99 -2.24 -1.26 -1.76 114.28 109.97 2ii7 n THR 7 Ca 0.02 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 2ii7 n THR 7 Cb 0.64 0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 2ii7 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii7 s TRP 9 N 1.57 1.00 -0.01 0.00 0.52 0.50 -4.99 118.94 117.53 2ii7 s TRP 9 Ca -0.06 -0.46 0.03 0.00 0.02 0.00 0.00 56.10 55.63 2ii7 s TRP 9 Cb -0.11 -0.57 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 2ii7 s TRP 9 CO -0.09 0.00 -0.11 0.00 0.02 0.00 0.00 176.95 176.77 2ii7 s ALA 10 N -1.25 0.96 -0.23 0.98 0.00 -1.26 -0.12 121.76 120.84 2ii7 s ALA 10 Ca -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2ii7 s ALA 10 Cb -0.10 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2ii7 s ALA 10 CO 0.01 0.22 -0.04 0.42 0.00 0.00 0.00 175.76 176.38 2ii7 s ILE 11 N -0.18 1.41 0.27 0.00 1.01 0.94 -4.99 121.20 119.66 2ii7 s ILE 11 Ca 0.03 -1.17 0.16 0.00 0.00 0.00 0.00 60.65 59.68 2ii7 s ILE 11 Cb -0.05 -1.72 0.11 0.00 0.01 0.00 0.00 42.46 40.81 2ii7 s ILE 11 CO -0.00 -0.14 1.77 0.00 0.00 0.00 0.00 174.94 176.58 2ii7 h ALA 12 N 7.99 1.13 -2.51 9.38 0.00 -1.91 0.24 119.26 133.58 2ii7 h ALA 12 Ca -0.17 -0.36 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 2ii7 h ALA 12 Cb 1.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2ii7 h ALA 12 CO 0.41 0.49 -0.30 -2.00 0.00 0.00 0.00 179.25 177.85 2ii7 s GLU 13 N -3.83 3.54 -0.30 0.00 2.56 -1.26 -4.39 118.70 115.01 2ii7 s GLU 13 Ca -0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 54.97 54.49 2ii7 s GLU 13 Cb 0.12 -2.81 0.20 0.00 2.00 0.00 0.00 34.13 33.65 2ii7 s GLU 13 CO 0.70 0.37 1.32 0.20 -0.56 0.00 0.00 175.26 177.29 2ii7 s GLY 14 N -3.14 0.39 -0.29 -1.50 0.00 -0.51 -4.60 107.32 97.67 2ii7 s GLY 14 Ca 0.39 3.76 -0.13 0.00 0.00 0.00 0.00 44.72 48.74 2ii7 s GLY 14 CO 0.29 3.32 0.77 -0.47 0.00 0.00 0.00 173.10 177.00 2ii7 s TYR 15 N 1.87 -1.04 -0.35 1.90 5.04 -1.26 -0.71 117.35 122.79 2ii7 s TYR 15 Ca -0.00 1.91 -0.06 0.00 -2.44 0.00 0.00 57.07 56.48 2ii7 s TYR 15 Cb -0.00 0.63 0.05 0.00 0.35 0.00 0.00 41.96 42.98 2ii7 s TYR 15 CO -0.15 -0.52 0.12 0.42 -1.34 0.00 0.00 175.55 174.08 2ii7 s ILE 16 N 2.25 3.68 0.99 3.14 1.01 -1.26 -4.87 121.20 126.14 2ii7 s ILE 16 Ca -0.07 -1.29 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 2ii7 s ILE 16 Cb -0.08 -3.15 0.18 0.00 0.01 0.00 0.00 42.46 39.41 2ii7 s ILE 16 CO -0.18 -0.26 1.05 -2.65 0.00 0.00 0.00 174.94 172.89 2ii7 n PRO 17 N 4.78 -0.97 0.00 2.79 -0.02 -1.26 0.10 135.00 140.43 2ii7 n PRO 17 Ca -0.11 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2ii7 n PRO 17 Cb 0.44 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2ii7 n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ii7 n PRO 18 N -4.23 0.00 0.00 0.52 -0.02 -1.26 -4.57 135.00 125.45 2ii7 n PRO 18 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2ii7 n PRO 18 Cb 0.53 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2ii7 n PRO 18 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2ii7 n GLU 31 N 0.84 0.00 -3.99 -0.52 4.07 -1.26 -5.08 120.64 114.70 2ii7 n GLU 31 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 2ii7 n GLU 31 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 2ii7 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2ii7 s THR 32 N 0.00 0.14 -0.33 6.31 2.01 -1.26 -2.35 115.64 120.16 2ii7 s THR 32 Ca 0.00 -1.17 -0.01 0.00 0.31 0.00 0.00 61.69 60.82 2ii7 s THR 32 Cb 0.00 -0.72 0.07 0.00 0.01 0.00 0.00 72.50 71.86 2ii7 s THR 32 CO 0.00 -0.65 0.06 -0.69 -0.69 0.00 0.00 174.62 172.65 2ii7 s VAL 33 N -2.33 2.95 -0.16 3.82 1.01 -0.55 -2.21 120.40 122.93 2ii7 s VAL 33 Ca -0.08 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 2ii7 s VAL 33 Cb -0.03 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2ii7 s VAL 33 CO -0.04 -0.32 0.63 0.00 0.00 0.00 0.00 175.10 175.37 2ii7 s ILE 35 N 1.53 2.21 -0.05 0.00 1.01 -0.40 -1.42 121.20 124.08 2ii7 s ILE 35 Ca 0.30 -1.51 0.02 0.00 0.00 0.00 0.00 60.65 59.46 2ii7 s ILE 35 Cb -0.16 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.42 2ii7 s ILE 35 CO 0.12 0.27 -0.08 -0.22 0.00 0.00 0.00 174.94 175.02 2ii7 s LEU 36 N -1.54 1.52 -0.40 2.97 2.96 -0.23 -0.61 118.68 123.36 2ii7 s LEU 36 Ca 0.13 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2ii7 s LEU 36 Cb -0.10 -0.63 0.11 0.00 0.50 0.00 0.00 46.19 46.07 2ii7 s LEU 36 CO 0.04 -0.00 0.14 0.21 -1.32 0.00 0.00 176.35 175.41 2ii7 s ASN 37 N 0.73 4.43 0.00 3.68 3.04 0.21 -1.32 114.94 125.70 2ii7 s ASN 37 Ca -0.13 -2.41 0.21 0.00 0.04 0.00 0.00 52.86 50.57 2ii7 s ASN 37 Cb -0.15 -1.48 0.82 0.00 -1.54 0.00 0.00 41.25 38.90 2ii7 s ASN 37 CO 0.02 -0.33 1.58 0.00 -3.04 0.00 0.00 177.10 175.34 2ii7 n ALA 38 N 3.90 2.54 -1.90 1.71 0.00 -1.26 -0.88 120.51 124.62 2ii7 n ALA 38 Ca 0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 2ii7 n ALA 38 Cb 0.38 -1.12 0.17 0.00 0.00 0.00 0.00 19.45 18.88 2ii7 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii7 s GLY 39 N -1.59 1.75 0.00 0.00 0.00 -1.26 -4.55 107.32 101.67 2ii7 s GLY 39 Ca 0.32 -1.11 0.24 0.00 0.00 0.00 0.00 44.72 44.17 2ii7 s GLY 39 CO 0.26 -0.38 1.27 1.22 0.00 0.00 0.00 173.10 175.47 2ii7 n ASP 40 N -3.74 1.59 -4.51 1.64 8.00 -1.26 -0.88 116.55 117.39 2ii7 n ASP 40 Ca 0.14 -1.24 -0.33 0.00 0.71 0.00 0.00 54.79 54.07 2ii7 n ASP 40 Cb 0.60 0.37 -0.12 0.00 -0.02 0.00 0.00 41.12 41.94 2ii7 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii7 s GLU 41 N -2.52 2.71 0.59 -1.24 2.12 -1.26 -4.79 118.70 114.31 2ii7 s GLU 41 Ca 0.20 -0.63 -0.20 0.00 0.36 0.00 0.00 54.97 54.71 2ii7 s GLU 41 Cb 0.18 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 2ii7 s GLU 41 CO 0.57 0.60 1.16 -0.25 -0.54 0.00 0.00 175.26 176.79 2ii7 n ASP 42 N 2.41 1.66 -4.38 -1.70 9.92 -1.26 -4.25 116.55 118.95 2ii7 n ASP 42 Ca -0.18 0.87 -0.37 0.00 -0.53 0.00 0.00 54.79 54.59 2ii7 n ASP 42 Cb 0.53 -1.48 -0.13 0.00 -0.64 0.00 0.00 41.12 39.40 2ii7 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ii7 s ALA 43 N -1.40 3.09 -0.74 2.24 0.00 0.19 -4.79 121.76 120.34 2ii7 s ALA 43 Ca 0.76 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 2ii7 s ALA 43 Cb -0.42 -2.11 0.14 0.00 0.00 0.00 0.00 23.12 20.73 2ii7 s ALA 43 CO 0.46 -0.77 0.82 -1.01 0.00 0.00 0.00 175.76 175.27 2ii7 s HIS 44 N 1.54 3.23 0.30 0.00 3.76 -1.26 -0.13 115.29 122.73 2ii7 s HIS 44 Ca 0.04 -1.35 -0.20 0.00 -0.15 0.00 0.00 55.06 53.40 2ii7 s HIS 44 Cb -0.16 -4.03 -0.09 0.00 1.11 0.00 0.00 32.58 29.41 2ii7 s HIS 44 CO 0.03 -1.26 0.81 0.08 -0.85 0.00 0.00 174.74 173.54 2ii7 s VAL 45 N 2.00 4.50 -0.10 -0.90 1.01 -0.09 -3.73 120.40 123.09 2ii7 s VAL 45 Ca 0.18 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.47 2ii7 s VAL 45 Cb -0.16 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ii7 s VAL 45 CO -0.02 -0.00 0.01 -1.61 0.00 0.00 0.00 175.10 173.48 2ii7 s GLU 46 N -2.47 0.63 -0.13 2.72 2.02 -0.06 -2.24 118.70 119.16 2ii7 s GLU 46 Ca 0.51 -0.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.43 2ii7 s GLU 46 Cb -0.14 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.79 2ii7 s GLU 46 CO 0.19 -0.39 0.01 0.42 0.02 0.00 0.00 175.26 175.52 2ii7 s ILE 47 N 1.95 4.35 -0.10 -1.63 1.01 -0.84 -1.46 121.20 124.47 2ii7 s ILE 47 Ca 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ii7 s ILE 47 Cb -0.13 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 2ii7 s ILE 47 CO -0.06 0.53 -0.19 -0.89 0.00 0.00 0.00 174.94 174.34 2ii7 s THR 48 N -0.17 2.57 -0.17 2.92 2.01 -0.37 -1.44 115.64 121.00 2ii7 s THR 48 Ca 0.05 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2ii7 s THR 48 Cb -0.12 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2ii7 s THR 48 CO 0.02 0.55 0.09 -0.63 -0.69 0.00 0.00 174.62 173.96 2ii7 s ILE 49 N 0.21 5.05 0.14 1.82 -1.09 -1.23 -1.32 121.20 124.78 2ii7 s ILE 49 Ca -0.12 0.05 0.07 0.00 -2.23 0.00 0.00 60.65 58.42 2ii7 s ILE 49 Cb -0.16 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2ii7 s ILE 49 CO 0.06 0.49 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.94 2ii7 s TYR 50 N 0.02 2.86 0.34 3.97 1.51 0.30 -1.64 117.35 124.71 2ii7 s TYR 50 Ca 0.07 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 2ii7 s TYR 50 Cb -0.12 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2ii7 s TYR 50 CO 0.00 0.49 0.09 0.71 -1.11 0.00 0.00 175.55 175.74 2ii7 s TYR 51 N -1.55 1.83 -0.42 2.71 2.02 -1.26 -1.38 117.35 119.29 2ii7 s TYR 51 Ca 0.26 -1.11 0.23 0.00 -0.37 0.00 0.00 57.07 56.08 2ii7 s TYR 51 Cb -0.10 -1.17 0.22 0.00 -0.40 0.00 0.00 41.96 40.50 2ii7 s TYR 51 CO 0.18 -0.16 1.28 0.66 -1.57 0.00 0.00 175.55 175.94 2ii7 h SER 52 N 2.05 0.00 0.00 2.29 4.64 -1.99 -3.41 113.55 117.13 2ii7 h SER 52 Ca -0.38 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2ii7 h SER 52 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ii7 h SER 52 CO 0.64 0.03 -0.68 -0.90 -0.87 0.00 0.00 176.83 175.04 2ii7 n ASP 53 N -2.58 3.42 -4.70 4.97 5.68 -1.26 -5.10 116.55 116.98 2ii7 n ASP 53 Ca 0.02 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.06 2ii7 n ASP 53 Cb 0.51 0.44 -0.08 0.00 -1.14 0.00 0.00 41.12 40.85 2ii7 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii7 s LYS 54 N -1.59 2.18 0.83 0.11 -2.85 -1.26 -5.12 119.74 112.03 2ii7 s LYS 54 Ca 0.00 -1.80 -0.11 0.00 -1.00 0.00 0.00 55.97 53.06 2ii7 s LYS 54 Cb 0.00 -1.96 0.09 0.00 -2.06 0.00 0.00 37.83 33.90 2ii7 s LYS 54 CO 0.00 -0.01 1.10 -1.21 0.10 0.00 0.00 175.35 175.33 2ii7 s GLU 55 N -3.83 1.80 0.52 1.78 0.41 -1.26 -4.16 118.70 113.96 2ii7 s GLU 55 Ca 0.38 1.22 -0.23 0.00 -0.41 0.00 0.00 54.97 55.93 2ii7 s GLU 55 Cb 0.03 -1.84 -0.06 0.00 -1.78 0.00 0.00 34.13 30.47 2ii7 s GLU 55 CO 0.21 -1.98 1.38 -2.30 -0.49 0.00 0.00 175.26 172.09 2ii7 n PRO 56 N -3.75 1.87 -3.39 0.39 -0.02 -1.26 -4.71 135.00 124.12 2ii7 n PRO 56 Ca 0.09 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 2ii7 n PRO 56 Cb 0.53 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 2ii7 n PRO 56 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ii7 s VAL 57 N -1.26 5.18 0.00 -1.45 1.01 -0.65 -4.98 120.40 118.25 2ii7 s VAL 57 Ca 0.68 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2ii7 s VAL 57 Cb -0.43 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2ii7 s VAL 57 CO 0.52 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2ii7 n GLY 58 N 4.67 0.00 3.65 4.51 0.00 -1.26 -3.53 105.19 113.23 2ii7 n GLY 58 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2ii7 n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ii7 n PRO 59 N 0.00 2.71 -3.20 1.61 -0.02 -1.26 -4.65 135.00 130.19 2ii7 n PRO 59 Ca 0.00 0.96 -0.44 0.00 -2.02 0.00 0.00 63.50 62.00 2ii7 n PRO 59 Cb 0.00 -3.04 -0.06 0.00 -0.02 0.00 0.00 33.50 30.38 2ii7 n PRO 59 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2ii7 s TYR 60 N 5.12 3.08 0.63 6.00 1.51 -0.52 -4.41 117.35 128.77 2ii7 s TYR 60 Ca 0.91 -0.78 -0.13 0.00 -1.01 0.00 0.00 57.07 56.06 2ii7 s TYR 60 Cb -0.42 -3.63 -0.03 0.00 -0.11 0.00 0.00 41.96 37.77 2ii7 s TYR 60 CO 0.41 -1.07 1.04 1.03 -1.11 0.00 0.00 175.55 175.86 2ii7 s ARG 61 N 2.40 3.34 -0.26 -0.62 0.52 -1.26 -1.99 118.95 121.07 2ii7 s ARG 61 Ca 0.11 0.94 -0.32 0.00 -0.52 0.00 0.00 55.73 55.95 2ii7 s ARG 61 Cb -0.22 -2.04 0.17 0.00 0.52 0.00 0.00 34.95 33.37 2ii7 s ARG 61 CO 0.09 -0.78 1.30 -1.17 0.02 0.00 0.00 175.30 174.75 2ii7 s LEU 62 N -5.05 -0.09 -0.00 2.53 0.20 -0.95 -4.97 118.68 110.34 2ii7 s LEU 62 Ca 0.58 0.07 0.06 0.00 0.69 0.00 0.00 54.13 55.53 2ii7 s LEU 62 Cb -0.13 1.21 -0.02 0.00 -0.43 0.00 0.00 46.19 46.83 2ii7 s LEU 62 CO 0.48 -0.10 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.37 2ii7 s THR 63 N -1.42 1.42 -0.27 3.68 2.01 -1.26 -0.92 115.64 118.89 2ii7 s THR 63 Ca 0.08 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2ii7 s THR 63 Cb -0.01 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 71.37 2ii7 s THR 63 CO -0.05 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.45 2ii7 s VAL 64 N -0.48 2.26 0.61 3.82 1.01 0.82 -4.97 120.40 123.46 2ii7 s VAL 64 Ca 0.07 -1.62 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 2ii7 s VAL 64 Cb -0.07 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2ii7 s VAL 64 CO -0.00 -0.04 1.09 -2.65 0.00 0.00 0.00 175.10 173.49 2ii7 n PRO 65 N 4.45 1.02 -1.69 2.72 -0.02 -1.26 0.54 135.00 140.75 2ii7 n PRO 65 Ca -0.14 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 2ii7 n PRO 65 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2ii7 n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ii7 n ALA 66 N -1.73 1.13 -3.81 3.55 0.00 -1.26 -2.56 120.51 115.83 2ii7 n ALA 66 Ca 0.14 0.30 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2ii7 n ALA 66 Cb 0.47 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.70 2ii7 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii7 n ARG 67 N 0.24 -4.35 -3.89 0.00 1.74 -0.05 -4.98 116.66 105.38 2ii7 n ARG 67 Ca 0.06 0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 57.59 2ii7 n ARG 67 Cb 0.38 -4.97 -0.07 0.00 -1.02 0.00 0.00 32.46 26.79 2ii7 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii7 s ARG 68 N -6.23 1.06 0.44 5.56 1.81 -0.37 -4.97 118.95 116.25 2ii7 s ARG 68 Ca 0.05 -1.05 0.06 0.00 -1.72 0.00 0.00 55.73 53.08 2ii7 s ARG 68 Cb -0.03 0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 34.81 2ii7 s ARG 68 CO 0.84 -0.38 0.14 -0.08 -0.68 0.00 0.00 175.30 175.14 2ii7 s THR 69 N -3.91 1.98 -0.30 0.02 -1.32 -1.26 -0.62 115.64 110.22 2ii7 s THR 69 Ca 0.11 -1.79 -0.15 0.00 -1.21 0.00 0.00 61.69 58.66 2ii7 s THR 69 Cb 0.03 -2.76 0.17 0.00 -1.51 0.00 0.00 72.50 68.43 2ii7 s THR 69 CO -0.05 0.00 1.04 -0.75 -2.21 0.00 0.00 174.62 172.65 2ii7 s LYS 70 N -3.90 0.24 0.03 7.08 2.20 0.22 -4.92 119.74 120.69 2ii7 s LYS 70 Ca 0.33 0.59 -0.19 0.00 -0.36 0.00 0.00 55.97 56.34 2ii7 s LYS 70 Cb 0.04 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.65 2ii7 s LYS 70 CO 0.18 -0.10 0.55 -1.01 -0.36 0.00 0.00 175.35 174.61 2ii7 s HIS 71 N 2.44 3.74 -0.26 4.03 3.76 -1.26 -1.27 115.29 126.47 2ii7 s HIS 71 Ca -0.01 1.19 0.00 0.00 -0.15 0.00 0.00 55.06 56.09 2ii7 s HIS 71 Cb -0.06 -2.51 0.08 0.00 1.11 0.00 0.00 32.58 31.20 2ii7 s HIS 71 CO -0.17 0.50 0.02 0.08 -0.85 0.00 0.00 174.74 174.32 2ii7 s VAL 72 N -0.72 1.29 0.05 -0.90 1.01 -0.50 -4.96 120.40 115.67 2ii7 s VAL 72 Ca 0.29 -1.32 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 2ii7 s VAL 72 Cb -0.18 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2ii7 s VAL 72 CO 0.17 -0.35 1.31 -0.13 0.00 0.00 0.00 175.10 176.10 2ii7 s ARG 73 N 1.46 4.35 0.36 2.72 0.52 -1.26 -1.49 118.95 125.62 2ii7 s ARG 73 Ca 0.02 1.91 0.03 0.00 -0.52 0.00 0.00 55.73 57.17 2ii7 s ARG 73 Cb -0.18 -3.39 0.68 0.00 0.52 0.00 0.00 34.95 32.58 2ii7 s ARG 73 CO -0.12 -0.41 2.01 0.74 0.02 0.00 0.00 175.30 177.53 2ii7 h PHE 74 N 7.11 0.76 -0.64 -0.53 0.04 -1.85 -1.96 116.94 119.88 2ii7 h PHE 74 Ca -0.40 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.41 2ii7 h PHE 74 Cb 1.20 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 2ii7 h PHE 74 CO 0.69 0.47 0.42 -0.97 -0.60 0.00 0.00 178.31 178.32 2ii7 h ASN 75 N 0.81 0.68 0.47 2.17 -0.73 -1.90 -1.51 115.58 115.57 2ii7 h ASN 75 Ca 0.24 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2ii7 h ASN 75 Cb -0.02 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.40 2ii7 h ASN 75 CO -0.06 0.48 0.00 0.47 -0.37 0.00 0.00 177.43 177.95 2ii7 n ASP 76 N -4.45 0.00 -4.74 1.15 9.92 -0.74 -4.74 116.55 112.95 2ii7 n ASP 76 Ca 0.07 0.33 -0.41 0.00 -0.53 0.00 0.00 54.79 54.25 2ii7 n ASP 76 Cb 0.10 -0.42 -0.04 0.00 -0.64 0.00 0.00 41.12 40.12 2ii7 n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ii7 s LEU 77 N -2.84 4.49 0.00 0.64 1.02 -0.57 -4.87 118.68 116.55 2ii7 s LEU 77 Ca 0.11 2.15 0.00 0.00 0.02 0.00 0.00 54.13 56.41 2ii7 s LEU 77 Cb 0.11 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.71 2ii7 s LEU 77 CO 0.28 -0.25 0.00 -0.46 0.02 0.00 0.00 176.35 175.94 2ii7 n ASN 78 N 2.26 0.00 -4.33 2.29 0.23 -1.26 -4.06 115.26 110.39 2ii7 n ASN 78 Ca 0.03 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.74 2ii7 n ASN 78 Cb 0.46 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.01 2ii7 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ii7 s ASP 79 N -0.67 3.99 0.22 0.53 2.15 -1.26 -0.65 116.67 120.99 2ii7 s ASP 79 Ca 0.00 -0.38 -0.07 0.00 0.43 0.00 0.00 52.55 52.53 2ii7 s ASP 79 Cb 0.00 -1.63 0.34 0.00 -0.30 0.00 0.00 42.92 41.33 2ii7 s ASP 79 CO 0.00 0.10 1.76 -0.65 -0.17 0.00 0.00 175.17 176.21 2ii7 h PRO 80 N 7.17 0.51 -3.74 4.34 0.11 -1.86 -3.41 132.00 135.13 2ii7 h PRO 80 Ca -0.31 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 2ii7 h PRO 80 Cb 1.19 -0.11 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 2ii7 h PRO 80 CO 0.58 0.34 -0.30 0.00 -0.21 0.00 0.00 178.00 178.40 2ii7 s ALA 81 N -6.06 -0.32 0.54 -0.75 0.00 0.18 -5.14 121.76 110.21 2ii7 s ALA 81 Ca -0.13 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 2ii7 s ALA 81 Cb 0.18 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 2ii7 s ALA 81 CO 0.76 -0.57 1.04 -2.14 0.00 0.00 0.00 175.76 174.85 2ii7 s PRO 82 N -3.87 3.58 -0.19 0.00 0.02 -1.11 -3.98 135.00 129.44 2ii7 s PRO 82 Ca 0.07 1.23 -0.25 0.00 0.02 0.00 0.00 61.00 62.07 2ii7 s PRO 82 Cb 0.04 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 2ii7 s PRO 82 CO -0.09 -0.60 0.85 0.42 -0.33 0.00 0.00 177.00 177.25 2ii7 s ILE 83 N -2.30 4.86 0.02 2.83 1.09 -1.26 -4.99 121.20 121.46 2ii7 s ILE 83 Ca 0.64 1.65 -0.35 0.00 -1.10 0.00 0.00 60.65 61.49 2ii7 s ILE 83 Cb -0.15 -4.15 -0.14 0.00 -1.06 0.00 0.00 42.46 36.96 2ii7 s ILE 83 CO 0.30 -0.01 1.62 -2.65 -0.10 0.00 0.00 174.94 174.10 2ii7 n PRO 84 N 5.45 1.80 -1.51 2.79 -0.02 -1.26 -4.95 135.00 137.29 2ii7 n PRO 84 Ca 0.05 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 2ii7 n PRO 84 Cb 0.48 -2.40 0.13 0.00 -0.02 0.00 0.00 33.50 31.70 2ii7 n PRO 84 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2ii7 s HIS 85 N 1.96 2.51 -1.52 6.00 3.76 -1.26 -3.78 115.29 122.95 2ii7 s HIS 85 Ca 0.86 0.89 -0.07 0.00 -0.15 0.00 0.00 55.06 56.60 2ii7 s HIS 85 Cb -0.80 -3.35 0.06 0.00 1.11 0.00 0.00 32.58 29.59 2ii7 s HIS 85 CO 0.47 -2.35 0.52 -3.47 -0.85 0.00 0.00 174.74 169.06 2ii7 n ASP 86 N -3.77 -1.32 -3.76 1.40 -0.08 0.12 -4.95 116.55 104.18 2ii7 n ASP 86 Ca 0.06 -1.02 -0.14 0.00 -1.51 0.00 0.00 54.79 52.18 2ii7 n ASP 86 Cb 0.59 -2.87 -0.15 0.00 2.34 0.00 0.00 41.12 41.02 2ii7 n ASP 86 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ii7 s THR 87 N -3.75 -0.06 -0.18 5.18 2.01 -1.25 -5.05 115.64 112.54 2ii7 s THR 87 Ca 0.26 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2ii7 s THR 87 Cb -0.14 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2ii7 s THR 87 CO 0.91 0.08 1.12 -1.81 -0.69 0.00 0.00 174.62 174.23 2ii7 s ASP 88 N 1.13 7.07 0.38 3.53 1.01 -1.26 -4.38 116.67 124.15 2ii7 s ASP 88 Ca -0.09 1.53 0.04 0.00 0.71 0.00 0.00 52.55 54.74 2ii7 s ASP 88 Cb -0.12 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 2ii7 s ASP 88 CO -0.04 -0.67 0.15 0.72 0.21 0.00 0.00 175.17 175.55 2ii7 s PHE 89 N 3.08 1.76 0.07 4.23 -0.71 0.11 -4.25 117.98 122.28 2ii7 s PHE 89 Ca 0.49 -1.34 -0.07 0.00 -1.04 0.00 0.00 56.93 54.97 2ii7 s PHE 89 Cb -0.18 -1.05 -0.01 0.00 -1.21 0.00 0.00 43.02 40.57 2ii7 s PHE 89 CO 0.11 -0.41 0.13 0.00 -1.34 0.00 0.00 175.22 173.71 2ii7 s ALA 90 N -3.32 -0.03 0.05 1.99 0.00 -0.48 -1.42 121.76 118.56 2ii7 s ALA 90 Ca 0.29 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 2ii7 s ALA 90 Cb 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2ii7 s ALA 90 CO 0.17 -0.46 0.03 -1.54 0.00 0.00 0.00 175.76 173.96 2ii7 s SER 91 N -2.81 0.37 -0.11 0.00 1.04 0.07 0.11 113.70 112.37 2ii7 s SER 91 Ca 0.05 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 2ii7 s SER 91 Cb 0.05 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2ii7 s SER 91 CO -0.10 -0.60 -0.09 -0.69 0.98 0.00 0.00 173.24 172.74 2ii7 s VAL 92 N -3.65 1.11 -0.20 5.02 1.01 -0.44 -0.04 120.40 123.22 2ii7 s VAL 92 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2ii7 s VAL 92 Cb 0.05 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2ii7 s VAL 92 CO -0.09 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 174.79 2ii7 s ILE 93 N 1.59 4.33 0.15 2.22 1.09 0.83 -1.24 121.20 130.18 2ii7 s ILE 93 Ca 0.03 -0.19 0.09 0.00 -1.10 0.00 0.00 60.65 59.49 2ii7 s ILE 93 Cb -0.13 -2.96 -0.04 0.00 -1.06 0.00 0.00 42.46 38.27 2ii7 s ILE 93 CO -0.08 0.43 -0.21 -1.10 -0.10 0.00 0.00 174.94 173.89 2ii7 s GLN 94 N 0.79 1.29 0.07 2.79 -0.21 -0.53 -0.37 119.66 123.49 2ii7 s GLN 94 Ca 0.02 -1.36 -0.08 0.00 0.02 0.00 0.00 55.36 53.96 2ii7 s GLN 94 Cb -0.14 -1.50 -0.00 0.00 1.00 0.00 0.00 33.01 32.36 2ii7 s GLN 94 CO 0.02 0.33 0.17 0.45 -2.12 0.00 0.00 175.29 174.14 2ii7 s SER 95 N -2.40 0.12 0.21 5.90 0.15 -0.40 -0.88 113.70 116.41 2ii7 s SER 95 Ca 0.14 -0.58 0.11 0.00 0.70 0.00 0.00 55.95 56.32 2ii7 s SER 95 Cb -0.08 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2ii7 s SER 95 CO 0.07 -0.66 1.42 -0.55 1.20 0.00 0.00 173.24 174.72 2ii7 h ASN 96 N 3.03 0.00 -3.09 5.45 -1.07 -1.88 -3.44 115.58 114.58 2ii7 h ASN 96 Ca -0.33 0.00 -0.49 0.00 0.07 0.00 0.00 56.30 55.55 2ii7 h ASN 96 Cb 1.19 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 37.29 2ii7 h ASN 96 CO 0.54 0.75 -0.75 0.68 0.07 0.00 0.00 177.43 178.72 2ii7 s VAL 97 N -3.01 1.88 0.21 6.14 -7.23 -1.26 -5.03 120.40 112.11 2ii7 s VAL 97 Ca 0.01 -2.20 -0.32 0.00 -1.81 0.00 0.00 61.98 57.66 2ii7 s VAL 97 Cb 0.10 -2.06 -0.12 0.00 0.56 0.00 0.00 36.38 34.86 2ii7 s VAL 97 CO 0.78 -0.52 1.72 -2.84 -0.31 0.00 0.00 175.10 173.93 2ii7 s PRO 98 N -3.48 4.12 0.12 4.82 0.02 -1.26 -4.55 135.00 134.78 2ii7 s PRO 98 Ca 0.23 2.61 0.01 0.00 0.02 0.00 0.00 61.00 63.87 2ii7 s PRO 98 Cb -0.02 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2ii7 s PRO 98 CO 0.08 -0.75 -0.02 0.96 -0.33 0.00 0.00 177.00 176.94 2ii7 s ILE 99 N 1.12 0.54 -0.16 2.83 -4.36 -0.72 -4.72 121.20 115.73 2ii7 s ILE 99 Ca 0.74 -1.93 -0.03 0.00 -0.26 0.00 0.00 60.65 59.17 2ii7 s ILE 99 Cb -0.50 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 2ii7 s ILE 99 CO 0.33 -0.68 -0.05 -0.69 0.24 0.00 0.00 174.94 174.09 2ii7 s VAL 100 N -3.74 3.70 -0.01 8.37 1.01 -0.44 -1.98 120.40 127.32 2ii7 s VAL 100 Ca 0.18 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.81 2ii7 s VAL 100 Cb 0.06 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2ii7 s VAL 100 CO -0.01 0.48 -0.24 -0.69 0.00 0.00 0.00 175.10 174.64 2ii7 s VAL 101 N 0.55 1.89 -0.07 2.92 1.01 -1.26 -1.06 120.40 124.38 2ii7 s VAL 101 Ca -0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2ii7 s VAL 101 Cb -0.15 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2ii7 s VAL 101 CO 0.03 0.51 0.17 -1.58 0.00 0.00 0.00 175.10 174.22 2ii7 s GLN 102 N -0.64 0.14 -0.19 2.72 0.74 -0.51 -5.01 119.66 116.92 2ii7 s GLN 102 Ca 0.09 0.35 -0.13 0.00 0.05 0.00 0.00 55.36 55.73 2ii7 s GLN 102 Cb -0.09 -0.09 -0.05 0.00 1.10 0.00 0.00 33.01 33.88 2ii7 s GLN 102 CO -0.01 -0.12 0.27 -1.58 -0.55 0.00 0.00 175.29 173.30 2ii7 s HIS 103 N 0.88 3.41 0.00 1.67 5.65 -1.26 -1.17 115.29 124.47 2ii7 s HIS 103 Ca -0.07 0.50 0.00 0.00 0.25 0.00 0.00 55.06 55.75 2ii7 s HIS 103 Cb -0.08 -2.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 2ii7 s HIS 103 CO -0.05 0.17 0.00 0.25 -0.65 0.00 0.00 174.74 174.47