#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii8 s LEU 2 N 0.00 4.76 -0.34 1.04 2.96 -1.26 -5.04 118.68 120.79 2ii8 s LEU 2 Ca 0.00 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2ii8 s LEU 2 Cb 0.00 -2.46 0.09 0.00 0.50 0.00 0.00 46.19 44.32 2ii8 s LEU 2 CO 0.00 -0.61 0.07 -0.55 -1.32 0.00 0.00 176.35 173.94 2ii8 s SER 3 N 1.84 4.92 -0.03 3.68 0.15 -1.26 -3.91 113.70 119.08 2ii8 s SER 3 Ca 0.14 -1.84 0.02 0.00 0.70 0.00 0.00 55.95 54.98 2ii8 s SER 3 Cb -0.16 -1.70 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 2ii8 s SER 3 CO 0.15 -0.38 -0.09 -0.63 1.20 0.00 0.00 173.24 173.48 2ii8 s ILE 4 N 1.08 0.82 0.00 6.45 1.01 -1.26 -5.07 121.20 124.22 2ii8 s ILE 4 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2ii8 s ILE 4 Cb -0.21 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2ii8 s ILE 4 CO -0.05 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.76 2ii8 n GLY 5 N 3.45 -0.34 3.55 6.18 0.00 -1.26 -3.91 105.19 112.86 2ii8 n GLY 5 Ca -0.20 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.63 2ii8 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii8 s ARG 6 N 0.00 1.95 0.00 1.61 1.70 -0.24 -4.69 118.95 119.29 2ii8 s ARG 6 Ca 0.00 -1.68 0.23 0.00 -0.47 0.00 0.00 55.73 53.81 2ii8 s ARG 6 Cb 0.00 0.48 0.12 0.00 -0.57 0.00 0.00 34.95 34.98 2ii8 s ARG 6 CO 0.00 -0.83 1.16 0.25 -1.08 0.00 0.00 175.30 174.80 2ii8 n THR 7 N -0.55 0.00 -3.86 4.99 -2.24 -1.26 -1.25 114.28 110.11 2ii8 n THR 7 Ca -0.01 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2ii8 n THR 7 Cb 0.61 0.98 -0.16 0.00 -2.10 0.00 0.00 70.33 69.66 2ii8 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii8 s TRP 9 N 1.18 0.77 -0.06 0.00 0.52 -0.21 -5.00 118.94 116.15 2ii8 s TRP 9 Ca -0.08 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 55.64 2ii8 s TRP 9 Cb -0.13 -0.46 0.01 0.00 -1.15 0.00 0.00 33.47 31.74 2ii8 s TRP 9 CO -0.02 -0.04 -0.12 0.00 0.02 0.00 0.00 176.95 176.78 2ii8 s ALA 10 N -1.16 1.21 -0.29 0.98 0.00 -1.26 0.34 121.76 121.58 2ii8 s ALA 10 Ca -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2ii8 s ALA 10 Cb -0.09 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.54 2ii8 s ALA 10 CO 0.01 0.13 0.02 0.42 0.00 0.00 0.00 175.76 176.33 2ii8 s ILE 11 N 0.56 3.26 -0.41 0.00 1.01 0.16 -5.00 121.20 120.78 2ii8 s ILE 11 Ca -0.12 -1.14 0.27 0.00 0.00 0.00 0.00 60.65 59.66 2ii8 s ILE 11 Cb -0.14 -2.78 0.31 0.00 0.01 0.00 0.00 42.46 39.86 2ii8 s ILE 11 CO 0.03 -0.01 1.77 0.00 0.00 0.00 0.00 174.94 176.73 2ii8 h ALA 12 N 8.08 1.00 -4.34 9.38 0.00 -1.91 -0.42 119.26 131.05 2ii8 h ALA 12 Ca -0.26 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.95 2ii8 h ALA 12 Cb 1.09 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 2ii8 h ALA 12 CO 0.57 0.00 -0.85 -2.00 0.00 0.00 0.00 179.25 176.97 2ii8 s GLU 13 N -3.31 2.30 -0.07 0.00 2.56 -1.26 -4.45 118.70 114.47 2ii8 s GLU 13 Ca 0.06 -0.85 -0.26 0.00 0.00 0.00 0.00 54.97 53.91 2ii8 s GLU 13 Cb 0.09 -2.17 0.06 0.00 2.00 0.00 0.00 34.13 34.11 2ii8 s GLU 13 CO 0.55 0.55 0.60 0.20 -0.56 0.00 0.00 175.26 176.60 2ii8 s GLY 14 N -0.57 -0.48 -0.30 -1.50 0.00 0.88 -4.81 107.32 100.55 2ii8 s GLY 14 Ca 0.08 1.18 -0.15 0.00 0.00 0.00 0.00 44.72 45.84 2ii8 s GLY 14 CO 0.00 0.87 0.93 -0.47 0.00 0.00 0.00 173.10 174.43 2ii8 s TYR 15 N -0.99 -0.74 -0.29 1.90 6.14 -1.26 -1.09 117.35 121.02 2ii8 s TYR 15 Ca -0.10 1.36 -0.07 0.00 0.64 0.00 0.00 57.07 58.90 2ii8 s TYR 15 Cb -0.02 0.45 -0.00 0.00 0.42 0.00 0.00 41.96 42.81 2ii8 s TYR 15 CO 0.07 -0.37 0.09 0.42 0.64 0.00 0.00 175.55 176.41 2ii8 s ILE 16 N 2.07 4.16 0.44 3.14 1.01 -1.26 -4.40 121.20 126.37 2ii8 s ILE 16 Ca -0.06 -0.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 2ii8 s ILE 16 Cb -0.06 -3.10 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 2ii8 s ILE 16 CO -0.17 0.13 1.33 -2.16 0.00 0.00 0.00 174.94 174.07 2ii8 s PRO 17 N 1.55 3.76 0.00 2.79 0.04 -1.26 0.22 135.00 142.09 2ii8 s PRO 17 Ca 0.04 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2ii8 s PRO 17 Cb -0.17 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2ii8 s PRO 17 CO 0.03 -0.68 0.00 -2.30 0.04 0.00 0.00 177.00 174.09 2ii8 n PRO 18 N -0.17 0.00 0.07 0.56 -0.02 -1.26 -4.58 135.00 129.60 2ii8 n PRO 18 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2ii8 n PRO 18 Cb 0.44 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.70 2ii8 n PRO 18 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ii8 n GLU 31 N 0.22 0.00 -4.99 -0.52 4.71 -1.26 -4.73 120.64 114.06 2ii8 n GLU 31 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 2ii8 n GLU 31 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.27 2ii8 n GLU 31 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2ii8 s THR 32 N -1.36 2.58 -0.20 2.62 2.01 -1.26 -0.31 115.64 119.72 2ii8 s THR 32 Ca 0.00 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 2ii8 s THR 32 Cb 0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2ii8 s THR 32 CO 0.00 0.54 0.32 -0.69 -0.69 0.00 0.00 174.62 174.10 2ii8 s VAL 33 N 0.32 5.26 -0.17 3.82 1.01 0.63 -4.28 120.40 126.99 2ii8 s VAL 33 Ca -0.14 0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 2ii8 s VAL 33 Cb -0.17 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ii8 s VAL 33 CO 0.07 0.31 0.07 0.00 0.00 0.00 0.00 175.10 175.55 2ii8 s ILE 35 N 0.17 1.75 -0.11 0.00 1.01 0.17 -1.20 121.20 122.99 2ii8 s ILE 35 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2ii8 s ILE 35 Cb -0.12 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 2ii8 s ILE 35 CO 0.00 0.49 -0.18 -0.22 0.00 0.00 0.00 174.94 175.04 2ii8 s LEU 36 N 0.01 2.45 -0.46 2.97 2.96 0.59 -1.12 118.68 126.09 2ii8 s LEU 36 Ca -0.06 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 2ii8 s LEU 36 Cb -0.13 -1.52 0.12 0.00 0.50 0.00 0.00 46.19 45.15 2ii8 s LEU 36 CO 0.04 0.17 0.29 0.21 -1.32 0.00 0.00 176.35 175.73 2ii8 s ASN 37 N 0.32 5.46 0.00 3.68 2.47 0.24 -1.17 114.94 125.94 2ii8 s ASN 37 Ca -0.14 -2.05 0.30 0.00 0.42 0.00 0.00 52.86 51.39 2ii8 s ASN 37 Cb -0.17 -1.91 1.39 0.00 -1.45 0.00 0.00 41.25 39.11 2ii8 s ASN 37 CO 0.07 -0.59 1.94 0.00 -3.72 0.00 0.00 177.10 174.79 2ii8 n ALA 38 N 4.64 2.64 -1.97 1.71 0.00 -1.26 -0.98 120.51 125.28 2ii8 n ALA 38 Ca -0.04 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.81 2ii8 n ALA 38 Cb 0.41 -1.31 0.12 0.00 0.00 0.00 0.00 19.45 18.66 2ii8 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii8 s GLY 39 N -2.03 1.76 0.00 0.00 0.00 -1.25 -4.50 107.32 101.30 2ii8 s GLY 39 Ca 0.41 -1.45 0.27 0.00 0.00 0.00 0.00 44.72 43.95 2ii8 s GLY 39 CO 0.36 -0.87 1.61 1.22 0.00 0.00 0.00 173.10 175.42 2ii8 n ASP 40 N -3.06 1.47 -4.26 1.64 8.00 -1.26 -1.43 116.55 117.65 2ii8 n ASP 40 Ca 0.14 -1.32 -0.29 0.00 0.71 0.00 0.00 54.79 54.02 2ii8 n ASP 40 Cb 0.60 0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.61 2ii8 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii8 s GLU 41 N -2.20 1.94 0.46 -1.24 2.12 -1.26 -4.79 118.70 113.74 2ii8 s GLU 41 Ca 0.31 -0.84 -0.25 0.00 0.36 0.00 0.00 54.97 54.56 2ii8 s GLU 41 Cb 0.20 -1.86 -0.08 0.00 0.26 0.00 0.00 34.13 32.66 2ii8 s GLU 41 CO 0.41 0.49 1.43 -0.51 -0.54 0.00 0.00 175.26 176.54 2ii8 s ASP 42 N -0.51 5.78 -0.23 -1.70 1.11 -1.26 -4.12 116.67 115.74 2ii8 s ASP 42 Ca 0.08 2.93 -0.11 0.00 0.18 0.00 0.00 52.55 55.64 2ii8 s ASP 42 Cb -0.09 -2.65 -0.05 0.00 1.07 0.00 0.00 42.92 41.19 2ii8 s ASP 42 CO -0.01 -1.24 0.16 0.00 1.18 0.00 0.00 175.17 175.26 2ii8 s ALA 43 N -1.20 3.63 -0.47 5.23 0.00 0.16 -4.83 121.76 124.28 2ii8 s ALA 43 Ca 0.62 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.62 2ii8 s ALA 43 Cb -0.44 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 20.46 2ii8 s ALA 43 CO 0.56 -0.09 0.39 -1.01 0.00 0.00 0.00 175.76 175.61 2ii8 s HIS 44 N 0.86 3.24 -0.02 0.00 3.76 -1.26 -0.70 115.29 121.17 2ii8 s HIS 44 Ca 0.08 -0.91 -0.07 0.00 -0.15 0.00 0.00 55.06 54.01 2ii8 s HIS 44 Cb -0.13 -3.13 -0.05 0.00 1.11 0.00 0.00 32.58 30.38 2ii8 s HIS 44 CO 0.03 -0.78 0.25 0.08 -0.85 0.00 0.00 174.74 173.47 2ii8 s VAL 45 N 1.64 5.32 -0.07 -0.90 1.01 0.12 -3.28 120.40 124.25 2ii8 s VAL 45 Ca 0.04 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2ii8 s VAL 45 Cb -0.24 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2ii8 s VAL 45 CO 0.07 0.44 -0.11 -1.61 0.00 0.00 0.00 175.10 173.89 2ii8 s GLU 46 N -1.53 1.62 -0.11 2.72 2.02 0.11 -1.93 118.70 121.60 2ii8 s GLU 46 Ca 0.24 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2ii8 s GLU 46 Cb -0.13 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.70 2ii8 s GLU 46 CO 0.13 -0.01 -0.12 0.42 0.02 0.00 0.00 175.26 175.70 2ii8 s ILE 47 N 0.79 3.14 -0.08 -1.63 1.01 0.47 -0.69 121.20 124.21 2ii8 s ILE 47 Ca -0.12 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2ii8 s ILE 47 Cb -0.15 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2ii8 s ILE 47 CO 0.02 0.54 -0.21 -0.89 0.00 0.00 0.00 174.94 174.40 2ii8 s THR 48 N 0.09 2.43 -0.15 2.92 2.01 -0.38 -0.68 115.64 121.88 2ii8 s THR 48 Ca -0.05 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 2ii8 s THR 48 Cb -0.15 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2ii8 s THR 48 CO 0.04 0.56 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.89 2ii8 s ILE 49 N -0.06 4.08 0.17 1.82 -1.09 -0.31 -0.92 121.20 124.89 2ii8 s ILE 49 Ca -0.05 -0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.15 2ii8 s ILE 49 Cb -0.14 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2ii8 s ILE 49 CO 0.04 0.50 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.91 2ii8 s TYR 50 N 0.20 2.78 0.26 3.97 1.51 0.99 -0.82 117.35 126.23 2ii8 s TYR 50 Ca -0.01 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2ii8 s TYR 50 Cb -0.13 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 2ii8 s TYR 50 CO 0.02 0.51 0.06 0.71 -1.11 0.00 0.00 175.55 175.74 2ii8 s TYR 51 N -1.66 1.59 -0.44 2.71 2.02 -1.26 -1.01 117.35 119.30 2ii8 s TYR 51 Ca 0.26 -1.07 0.24 0.00 -0.37 0.00 0.00 57.07 56.12 2ii8 s TYR 51 Cb -0.09 -0.95 0.41 0.00 -0.40 0.00 0.00 41.96 40.93 2ii8 s TYR 51 CO 0.17 -0.20 1.63 0.66 -1.57 0.00 0.00 175.55 176.24 2ii8 h SER 52 N 2.38 0.00 0.00 2.29 4.64 -1.99 -3.40 113.55 117.47 2ii8 h SER 52 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2ii8 h SER 52 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ii8 h SER 52 CO 0.63 0.00 -0.09 -0.90 -0.87 0.00 0.00 176.83 175.61 2ii8 n ASP 53 N -3.04 0.00 -3.80 4.97 5.68 -1.26 -5.09 116.55 114.01 2ii8 n ASP 53 Ca 0.04 -1.17 -0.10 0.00 -0.50 0.00 0.00 54.79 53.06 2ii8 n ASP 53 Cb 0.51 -0.03 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 2ii8 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii8 s LYS 54 N 0.00 1.10 0.66 0.11 -2.85 -1.26 -5.15 119.74 112.34 2ii8 s LYS 54 Ca 0.00 -0.93 -0.17 0.00 -1.00 0.00 0.00 55.97 53.86 2ii8 s LYS 54 Cb 0.00 0.42 -0.02 0.00 -2.06 0.00 0.00 37.83 36.17 2ii8 s LYS 54 CO 0.00 -0.42 1.00 0.39 0.10 0.00 0.00 175.35 176.43 2ii8 n GLU 55 N -0.21 0.76 -1.33 1.78 -0.58 -1.26 -4.13 120.64 115.68 2ii8 n GLU 55 Ca -0.12 0.31 -0.32 0.00 -0.42 0.00 0.00 57.16 56.61 2ii8 n GLU 55 Cb 0.63 -2.23 0.09 0.00 -0.57 0.00 0.00 31.44 29.36 2ii8 n GLU 55 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ii8 s PRO 56 N -3.06 2.18 -0.05 3.49 0.04 -1.26 -4.76 135.00 131.58 2ii8 s PRO 56 Ca 0.76 1.38 0.06 0.00 0.04 0.00 0.00 61.00 63.24 2ii8 s PRO 56 Cb -0.38 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2ii8 s PRO 56 CO 0.47 -1.73 -0.25 0.08 0.04 0.00 0.00 177.00 175.61 2ii8 s VAL 57 N -2.58 2.07 -5.00 -0.36 1.01 -0.00 -4.95 120.40 110.59 2ii8 s VAL 57 Ca 0.65 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2ii8 s VAL 57 Cb -0.21 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2ii8 s VAL 57 CO 0.51 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.79 2ii8 n GLY 58 N 2.87 -0.72 3.73 4.51 0.00 -1.26 -1.16 105.19 113.15 2ii8 n GLY 58 Ca -0.17 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 2ii8 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii8 s PRO 59 N -1.98 4.61 -0.16 1.61 0.04 -1.26 -4.96 135.00 132.90 2ii8 s PRO 59 Ca 0.00 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2ii8 s PRO 59 Cb 0.00 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2ii8 s PRO 59 CO 0.00 0.07 0.92 0.71 0.04 0.00 0.00 177.00 178.74 2ii8 s TYR 60 N 0.18 3.43 -0.09 0.56 1.51 0.15 -4.44 117.35 118.64 2ii8 s TYR 60 Ca 0.50 1.39 -0.02 0.00 -1.01 0.00 0.00 57.07 57.92 2ii8 s TYR 60 Cb -0.26 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.45 2ii8 s TYR 60 CO 0.31 -0.28 0.01 1.03 -1.11 0.00 0.00 175.55 175.51 2ii8 s ARG 61 N 2.30 3.07 0.18 -0.62 0.52 -1.26 -0.39 118.95 122.74 2ii8 s ARG 61 Ca 0.42 -0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 55.05 2ii8 s ARG 61 Cb -0.17 -2.83 0.04 0.00 0.52 0.00 0.00 34.95 32.51 2ii8 s ARG 61 CO 0.13 0.66 0.52 -0.48 0.02 0.00 0.00 175.30 176.15 2ii8 s LEU 62 N -0.77 0.01 -0.08 2.53 0.05 -0.81 -5.01 118.68 114.60 2ii8 s LEU 62 Ca 0.12 -0.38 0.05 0.00 0.05 0.00 0.00 54.13 53.97 2ii8 s LEU 62 Cb -0.12 2.19 -0.01 0.00 -2.05 0.00 0.00 46.19 46.20 2ii8 s LEU 62 CO 0.02 -1.01 -0.23 -0.89 -0.55 0.00 0.00 176.35 173.69 2ii8 s THR 63 N -3.84 2.24 -0.32 5.48 2.01 -1.26 0.16 115.64 120.11 2ii8 s THR 63 Ca 0.07 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 2ii8 s THR 63 Cb -0.01 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.70 2ii8 s THR 63 CO -0.06 0.56 0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 2ii8 s VAL 64 N 0.00 3.58 0.81 3.82 1.01 0.12 -4.98 120.40 124.77 2ii8 s VAL 64 Ca -0.08 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.64 2ii8 s VAL 64 Cb -0.15 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.31 2ii8 s VAL 64 CO 0.05 -0.11 1.17 -2.84 0.00 0.00 0.00 175.10 173.37 2ii8 s PRO 65 N 1.38 1.72 -0.05 2.72 0.02 -1.26 -0.66 135.00 138.87 2ii8 s PRO 65 Ca -0.02 1.61 -0.38 0.00 0.02 0.00 0.00 61.00 62.24 2ii8 s PRO 65 Cb -0.19 -1.80 -0.18 0.00 0.02 0.00 0.00 34.50 32.34 2ii8 s PRO 65 CO 0.02 -2.12 1.04 0.00 -0.33 0.00 0.00 177.00 175.60 2ii8 n ALA 66 N -3.40 -3.19 -3.76 -1.55 0.00 -1.26 -2.10 120.51 105.26 2ii8 n ALA 66 Ca 0.12 0.54 -0.27 0.00 0.00 0.00 0.00 53.44 53.84 2ii8 n ALA 66 Cb 0.51 -1.64 0.05 0.00 0.00 0.00 0.00 19.45 18.38 2ii8 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii8 n ARG 67 N 1.62 -6.58 -4.24 0.00 1.74 -0.16 -4.98 116.66 104.07 2ii8 n ARG 67 Ca 0.20 0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 57.85 2ii8 n ARG 67 Cb 0.06 -5.66 -0.10 0.00 -1.02 0.00 0.00 32.46 25.74 2ii8 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii8 s ARG 68 N -6.43 1.13 0.30 5.56 1.81 -0.79 -4.98 118.95 115.55 2ii8 s ARG 68 Ca 0.59 -1.56 0.10 0.00 -1.72 0.00 0.00 55.73 53.14 2ii8 s ARG 68 Cb -0.28 -0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.00 2ii8 s ARG 68 CO 0.78 -0.18 -0.07 -0.08 -0.68 0.00 0.00 175.30 175.07 2ii8 s THR 69 N -3.75 2.74 -0.19 0.02 -1.32 -1.26 -0.60 115.64 111.29 2ii8 s THR 69 Ca 0.26 -2.12 -0.13 0.00 -1.21 0.00 0.00 61.69 58.50 2ii8 s THR 69 Cb 0.07 -2.64 0.06 0.00 -1.51 0.00 0.00 72.50 68.47 2ii8 s THR 69 CO 0.05 -0.30 0.47 -0.75 -2.21 0.00 0.00 174.62 171.88 2ii8 s LYS 70 N -3.63 0.49 -0.23 7.08 2.20 -0.27 -4.95 119.74 120.42 2ii8 s LYS 70 Ca 0.32 0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 56.63 2ii8 s LYS 70 Cb -0.03 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 2ii8 s LYS 70 CO 0.18 -0.12 0.14 -1.01 -0.36 0.00 0.00 175.35 174.18 2ii8 s HIS 71 N 1.01 3.30 -0.23 4.03 3.76 -1.26 -0.65 115.29 125.25 2ii8 s HIS 71 Ca -0.06 0.18 -0.05 0.00 -0.15 0.00 0.00 55.06 54.98 2ii8 s HIS 71 Cb -0.06 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.37 2ii8 s HIS 71 CO -0.09 0.06 -0.01 0.08 -0.85 0.00 0.00 174.74 173.94 2ii8 s VAL 72 N 0.97 3.65 -0.14 -0.90 1.01 0.31 -4.96 120.40 120.34 2ii8 s VAL 72 Ca 0.07 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 2ii8 s VAL 72 Cb -0.13 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2ii8 s VAL 72 CO 0.04 0.40 0.58 -0.13 0.00 0.00 0.00 175.10 175.98 2ii8 s ARG 73 N 1.52 4.31 0.35 2.72 0.52 -1.26 -0.27 118.95 126.83 2ii8 s ARG 73 Ca 0.06 0.59 0.04 0.00 -0.52 0.00 0.00 55.73 55.90 2ii8 s ARG 73 Cb -0.14 -3.50 0.68 0.00 0.52 0.00 0.00 34.95 32.51 2ii8 s ARG 73 CO -0.01 -0.02 1.96 0.74 0.02 0.00 0.00 175.30 177.99 2ii8 h PHE 74 N 7.04 0.82 -0.42 -0.53 0.04 -1.06 -1.44 116.94 121.40 2ii8 h PHE 74 Ca -0.37 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.52 2ii8 h PHE 74 Cb 1.17 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 2ii8 h PHE 74 CO 0.66 0.45 0.30 -0.97 -0.60 0.00 0.00 178.31 178.15 2ii8 h ASN 75 N 0.82 0.09 0.41 2.17 -0.00 -1.93 -2.12 115.58 115.02 2ii8 h ASN 75 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.62 2ii8 h ASN 75 Cb 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 2ii8 h ASN 75 CO -0.10 0.05 -0.06 0.47 -0.00 0.00 0.00 177.43 177.79 2ii8 n ASP 76 N -4.44 0.27 -4.72 1.15 8.00 -0.54 -4.86 116.55 111.41 2ii8 n ASP 76 Ca 0.07 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 2ii8 n ASP 76 Cb 0.43 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 2ii8 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ii8 s LEU 77 N -2.48 4.43 0.00 0.64 1.02 -0.80 -4.90 118.68 116.59 2ii8 s LEU 77 Ca 0.30 1.75 0.00 0.00 0.02 0.00 0.00 54.13 56.20 2ii8 s LEU 77 Cb 0.20 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.83 2ii8 s LEU 77 CO 0.46 -0.19 0.00 -0.46 0.02 0.00 0.00 176.35 176.18 2ii8 n ASN 78 N 3.39 0.00 -4.13 2.29 6.94 -1.26 -4.07 115.26 118.43 2ii8 n ASN 78 Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.27 2ii8 n ASN 78 Cb 0.50 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.77 2ii8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ii8 s ASP 79 N 0.00 4.11 0.43 0.53 2.15 -1.26 -0.86 116.67 121.77 2ii8 s ASP 79 Ca 0.00 -1.04 0.26 0.00 0.43 0.00 0.00 52.55 52.20 2ii8 s ASP 79 Cb 0.00 -1.58 0.68 0.00 -0.30 0.00 0.00 42.92 41.72 2ii8 s ASP 79 CO 0.00 -0.13 1.73 1.55 -0.17 0.00 0.00 175.17 178.15 2ii8 h PRO 80 N 7.90 0.00 -1.86 4.34 0.13 -1.93 -3.38 132.00 137.20 2ii8 h PRO 80 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2ii8 h PRO 80 Cb 1.09 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.01 2ii8 h PRO 80 CO 0.54 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 178.63 2ii8 s ALA 81 N -3.32 -1.83 0.68 -0.56 0.00 -0.04 -5.13 121.76 111.56 2ii8 s ALA 81 Ca 0.06 1.40 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 2ii8 s ALA 81 Cb 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2ii8 s ALA 81 CO 0.62 -0.35 1.18 -2.14 0.00 0.00 0.00 175.76 175.07 2ii8 s PRO 82 N -1.20 2.50 -0.11 0.00 0.02 -1.23 -4.13 135.00 130.85 2ii8 s PRO 82 Ca -0.08 1.69 -0.26 0.00 0.02 0.00 0.00 61.00 62.37 2ii8 s PRO 82 Cb -0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 2ii8 s PRO 82 CO 0.07 -1.54 0.86 0.42 -0.33 0.00 0.00 177.00 176.47 2ii8 s ILE 83 N -1.98 4.89 0.49 2.83 1.01 -1.26 -5.01 121.20 122.19 2ii8 s ILE 83 Ca 0.73 1.73 -0.23 0.00 0.00 0.00 0.00 60.65 62.88 2ii8 s ILE 83 Cb -0.27 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2ii8 s ILE 83 CO 0.41 0.09 1.23 -0.81 0.00 0.00 0.00 174.94 175.85 2ii8 n PRO 84 N 4.72 1.63 -2.07 2.79 -0.04 -1.26 -5.00 135.00 135.78 2ii8 n PRO 84 Ca 0.04 0.59 -0.28 0.00 -0.04 0.00 0.00 63.50 63.81 2ii8 n PRO 84 Cb 0.50 -2.38 0.06 0.00 -0.04 0.00 0.00 33.50 31.63 2ii8 n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ii8 s HIS 85 N -1.29 3.12 -1.36 0.54 3.76 -1.26 -4.12 115.29 114.67 2ii8 s HIS 85 Ca 0.67 0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 56.30 2ii8 s HIS 85 Cb -0.47 -3.14 0.01 0.00 1.11 0.00 0.00 32.58 30.10 2ii8 s HIS 85 CO 0.53 -1.32 0.22 -3.47 -0.85 0.00 0.00 174.74 169.85 2ii8 n ASP 86 N -2.98 -4.77 -3.97 1.40 2.03 0.58 -4.91 116.55 103.94 2ii8 n ASP 86 Ca 0.07 -0.06 -0.23 0.00 0.52 0.00 0.00 54.79 55.09 2ii8 n ASP 86 Cb 0.59 -3.96 -0.17 0.00 -0.72 0.00 0.00 41.12 36.86 2ii8 n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ii8 s THR 87 N -2.88 0.91 0.10 5.18 2.01 -1.26 -5.01 115.64 114.69 2ii8 s THR 87 Ca 0.14 -0.34 -0.31 0.00 0.31 0.00 0.00 61.69 61.50 2ii8 s THR 87 Cb -0.07 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.51 2ii8 s THR 87 CO 0.17 0.31 1.24 -1.81 -0.69 0.00 0.00 174.62 173.84 2ii8 s ASP 88 N 0.84 7.03 0.31 3.53 1.01 -1.26 -4.07 116.67 124.06 2ii8 s ASP 88 Ca -0.12 2.13 0.05 0.00 0.71 0.00 0.00 52.55 55.32 2ii8 s ASP 88 Cb -0.15 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 2ii8 s ASP 88 CO 0.02 -0.49 0.27 0.72 0.21 0.00 0.00 175.17 175.90 2ii8 s PHE 89 N 0.83 1.63 0.10 4.23 -0.71 -0.25 -4.42 117.98 119.38 2ii8 s PHE 89 Ca 0.59 -1.60 0.00 0.00 -1.04 0.00 0.00 56.93 54.88 2ii8 s PHE 89 Cb -0.32 -0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 2ii8 s PHE 89 CO 0.31 -0.85 -0.03 0.00 -1.34 0.00 0.00 175.22 173.31 2ii8 s ALA 90 N -3.54 0.85 0.07 1.99 0.00 -0.18 -0.08 121.76 120.87 2ii8 s ALA 90 Ca 0.40 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 51.04 2ii8 s ALA 90 Cb 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2ii8 s ALA 90 CO 0.25 -0.33 -0.11 -1.54 0.00 0.00 0.00 175.76 174.03 2ii8 s SER 91 N -3.02 1.34 -0.14 0.00 1.04 -0.17 -0.01 113.70 112.74 2ii8 s SER 91 Ca 0.14 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2ii8 s SER 91 Cb 0.07 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2ii8 s SER 91 CO -0.04 -0.16 -0.14 -0.69 0.98 0.00 0.00 173.24 173.18 2ii8 s VAL 92 N -1.55 2.83 -0.23 5.02 1.01 -0.09 -0.67 120.40 126.72 2ii8 s VAL 92 Ca -0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2ii8 s VAL 92 Cb -0.09 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2ii8 s VAL 92 CO 0.01 0.52 -0.02 -0.63 0.00 0.00 0.00 175.10 174.98 2ii8 s ILE 93 N 0.56 3.55 0.10 2.22 1.01 0.15 -1.25 121.20 127.55 2ii8 s ILE 93 Ca -0.09 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.19 2ii8 s ILE 93 Cb -0.16 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2ii8 s ILE 93 CO 0.04 0.38 -0.25 -1.10 0.00 0.00 0.00 174.94 174.00 2ii8 s GLN 94 N 1.50 1.59 0.05 2.79 -0.21 0.14 -1.04 119.66 124.48 2ii8 s GLN 94 Ca 0.05 -1.24 -0.04 0.00 0.02 0.00 0.00 55.36 54.15 2ii8 s GLN 94 Cb -0.15 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 2ii8 s GLN 94 CO -0.02 0.48 0.06 0.45 -2.12 0.00 0.00 175.29 174.14 2ii8 s SER 95 N -1.81 0.27 0.22 5.90 0.15 0.00 -0.71 113.70 117.72 2ii8 s SER 95 Ca 0.14 -0.69 0.07 0.00 0.70 0.00 0.00 55.95 56.17 2ii8 s SER 95 Cb -0.10 0.22 0.18 0.00 -1.71 0.00 0.00 66.02 64.61 2ii8 s SER 95 CO 0.05 -0.55 1.51 -0.55 1.20 0.00 0.00 173.24 174.90 2ii8 h ASN 96 N 3.47 0.12 -3.69 5.45 -0.00 -1.87 -3.44 115.58 115.61 2ii8 h ASN 96 Ca -0.33 -0.08 -0.57 0.00 -0.00 0.00 0.00 56.30 55.32 2ii8 h ASN 96 Cb 1.18 -0.04 -0.19 0.00 -0.00 0.00 0.00 38.32 39.27 2ii8 h ASN 96 CO 0.55 0.80 -0.81 0.68 -0.00 0.00 0.00 177.43 178.65 2ii8 s VAL 97 N -3.44 1.92 0.29 6.14 -7.23 -1.26 -5.03 120.40 111.78 2ii8 s VAL 97 Ca -0.02 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2ii8 s VAL 97 Cb 0.12 -1.82 -0.12 0.00 0.56 0.00 0.00 36.38 35.11 2ii8 s VAL 97 CO 0.79 -0.18 1.51 -2.65 -0.31 0.00 0.00 175.10 174.27 2ii8 n PRO 98 N 0.56 2.47 -4.25 4.82 -0.02 -1.26 -4.64 135.00 132.68 2ii8 n PRO 98 Ca -0.15 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.07 2ii8 n PRO 98 Cb 0.56 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2ii8 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii8 s ILE 99 N -0.18 0.75 -0.16 4.25 -4.36 -0.38 -4.71 121.20 116.41 2ii8 s ILE 99 Ca 0.64 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2ii8 s ILE 99 Cb -0.54 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 2ii8 s ILE 99 CO 0.51 -0.50 -0.12 -0.69 0.24 0.00 0.00 174.94 174.38 2ii8 s VAL 100 N -3.61 2.94 -0.08 8.37 1.01 -0.31 -1.07 120.40 127.65 2ii8 s VAL 100 Ca 0.23 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2ii8 s VAL 100 Cb 0.06 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2ii8 s VAL 100 CO 0.04 0.50 -0.22 -0.69 0.00 0.00 0.00 175.10 174.73 2ii8 s VAL 101 N 0.77 2.29 0.04 2.92 1.01 -1.26 -0.30 120.40 125.88 2ii8 s VAL 101 Ca -0.05 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2ii8 s VAL 101 Cb -0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2ii8 s VAL 101 CO 0.01 0.56 -0.10 -1.58 0.00 0.00 0.00 175.10 173.99 2ii8 s GLN 102 N -0.01 0.68 -0.03 2.72 0.74 -0.34 -5.01 119.66 118.41 2ii8 s GLN 102 Ca -0.07 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.63 2ii8 s GLN 102 Cb -0.15 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.38 2ii8 s GLN 102 CO 0.05 0.13 -0.11 -3.38 -0.55 0.00 0.00 175.29 171.43 2ii8 s HIS 103 N -1.08 1.18 -2.45 1.67 -3.43 -1.26 -1.03 115.29 108.89 2ii8 s HIS 103 Ca -0.04 -0.32 0.28 0.00 -0.80 0.00 0.00 55.06 54.18 2ii8 s HIS 103 Cb -0.09 -0.83 1.13 0.00 -1.43 0.00 0.00 32.58 31.36 2ii8 s HIS 103 CO 0.01 -0.13 1.79 -2.37 -2.00 0.00 0.00 174.74 172.04