#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii9 s LEU 2 N 0.00 4.07 -0.24 2.46 2.96 -1.26 -5.01 118.68 121.65 2ii9 s LEU 2 Ca 0.00 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.34 2ii9 s LEU 2 Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 2ii9 s LEU 2 CO 0.00 -0.83 -0.08 -0.55 -1.32 0.00 0.00 176.35 173.58 2ii9 s SER 3 N 1.96 4.21 -0.04 3.68 0.15 -1.26 -3.88 113.70 118.52 2ii9 s SER 3 Ca 0.52 -0.86 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 2ii9 s SER 3 Cb -0.18 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2ii9 s SER 3 CO 0.15 -0.12 0.10 -0.51 1.20 0.00 0.00 173.24 174.06 2ii9 s ILE 4 N 1.31 -0.02 0.00 6.45 2.07 -1.26 -5.11 121.20 124.65 2ii9 s ILE 4 Ca 0.00 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2ii9 s ILE 4 Cb -0.16 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.27 2ii9 s ILE 4 CO -0.05 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 2ii9 n GLY 5 N 3.40 -0.65 3.45 1.50 0.00 -1.26 -3.91 105.19 107.72 2ii9 n GLY 5 Ca -0.17 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2ii9 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii9 s ARG 6 N 0.00 1.61 0.00 1.61 1.70 -0.45 -4.70 118.95 118.72 2ii9 s ARG 6 Ca 0.00 -1.57 0.25 0.00 -0.47 0.00 0.00 55.73 53.94 2ii9 s ARG 6 Cb 0.00 0.41 0.52 0.00 -0.57 0.00 0.00 34.95 35.30 2ii9 s ARG 6 CO 0.00 -0.64 1.44 0.25 -1.08 0.00 0.00 175.30 175.27 2ii9 n THR 7 N -0.43 0.07 -3.69 4.99 -2.24 -1.26 -0.79 114.28 110.93 2ii9 n THR 7 Ca 0.01 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 2ii9 n THR 7 Cb 0.63 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 2ii9 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii9 s TRP 9 N 1.99 0.73 -0.04 0.00 0.52 -0.19 -4.99 118.94 116.95 2ii9 s TRP 9 Ca -0.03 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.73 2ii9 s TRP 9 Cb -0.11 -0.44 0.01 0.00 -1.15 0.00 0.00 33.47 31.78 2ii9 s TRP 9 CO -0.09 -0.04 -0.11 0.00 0.02 0.00 0.00 176.95 176.73 2ii9 s ALA 10 N -1.01 1.06 -0.28 0.98 0.00 -1.26 -0.32 121.76 120.93 2ii9 s ALA 10 Ca -0.05 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2ii9 s ALA 10 Cb -0.08 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.67 2ii9 s ALA 10 CO 0.00 0.13 -0.07 0.42 0.00 0.00 0.00 175.76 176.24 2ii9 s ILE 11 N 0.42 2.17 -0.76 0.00 1.01 0.23 -5.01 121.20 119.26 2ii9 s ILE 11 Ca -0.08 -1.78 0.23 0.00 0.00 0.00 0.00 60.65 59.01 2ii9 s ILE 11 Cb -0.12 -2.35 0.22 0.00 0.01 0.00 0.00 42.46 40.22 2ii9 s ILE 11 CO 0.02 -0.16 1.69 0.00 0.00 0.00 0.00 174.94 176.49 2ii9 n ALA 12 N 4.40 1.90 -2.77 9.38 0.00 -1.26 -0.70 120.51 131.46 2ii9 n ALA 12 Ca -0.10 -0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 2ii9 n ALA 12 Cb 0.42 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 2ii9 n ALA 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ii9 s GLU 13 N -3.14 2.75 0.00 0.00 2.56 -1.26 -4.46 118.70 115.15 2ii9 s GLU 13 Ca 0.08 -1.14 0.00 0.00 0.00 0.00 0.00 54.97 53.91 2ii9 s GLU 13 Cb 0.12 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.79 2ii9 s GLU 13 CO 0.42 0.40 0.00 0.41 -0.56 0.00 0.00 175.26 175.93 2ii9 n GLY 14 N -1.02 1.42 3.54 -1.50 0.00 -0.65 -4.55 105.19 102.42 2ii9 n GLY 14 Ca -0.08 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 2ii9 n GLY 14 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ii9 s TYR 15 N -0.63 -0.98 -0.25 1.61 5.04 -1.26 -1.82 117.35 119.05 2ii9 s TYR 15 Ca 0.00 1.73 -0.08 0.00 -2.44 0.00 0.00 57.07 56.27 2ii9 s TYR 15 Cb 0.00 0.59 -0.04 0.00 0.35 0.00 0.00 41.96 42.86 2ii9 s TYR 15 CO 0.00 -0.49 0.11 0.42 -1.34 0.00 0.00 175.55 174.25 2ii9 s ILE 16 N 2.52 4.70 0.45 3.14 1.01 -1.26 -3.93 121.20 127.84 2ii9 s ILE 16 Ca -0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 2ii9 s ILE 16 Cb -0.08 -3.20 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 2ii9 s ILE 16 CO -0.18 0.33 1.16 -2.84 0.00 0.00 0.00 174.94 173.41 2ii9 s PRO 17 N 1.44 3.81 0.00 2.79 0.02 -1.26 -0.27 135.00 141.53 2ii9 s PRO 17 Ca 0.06 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 62.84 2ii9 s PRO 17 Cb -0.15 -2.45 -0.06 0.00 0.02 0.00 0.00 34.50 31.87 2ii9 s PRO 17 CO 0.05 -0.51 1.17 -0.35 -0.33 0.00 0.00 177.00 177.03 2ii9 n PRO 18 N -0.40 0.47 0.01 5.54 -0.04 -1.26 -4.74 135.00 134.58 2ii9 n PRO 18 Ca 0.07 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2ii9 n PRO 18 Cb 0.48 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2ii9 n PRO 18 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ii9 n GLU 31 N 2.68 0.00 -4.69 0.54 2.13 -1.25 -5.04 120.64 115.00 2ii9 n GLU 31 Ca 0.09 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.63 2ii9 n GLU 31 Cb 0.22 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.76 2ii9 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2ii9 s THR 32 N -2.00 1.52 -0.09 6.31 2.01 -1.26 -0.30 115.64 121.83 2ii9 s THR 32 Ca 0.00 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.35 2ii9 s THR 32 Cb 0.00 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.15 2ii9 s THR 32 CO 0.00 0.44 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.46 2ii9 s VAL 33 N 0.72 1.94 -0.18 3.82 1.01 0.57 -3.42 120.40 124.86 2ii9 s VAL 33 Ca -0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 2ii9 s VAL 33 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2ii9 s VAL 33 CO 0.03 0.53 -0.00 0.00 0.00 0.00 0.00 175.10 175.66 2ii9 s ILE 35 N 0.65 1.88 -0.20 0.00 1.01 0.05 -0.55 121.20 124.05 2ii9 s ILE 35 Ca -0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2ii9 s ILE 35 Cb -0.14 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2ii9 s ILE 35 CO 0.02 0.52 0.02 -0.22 0.00 0.00 0.00 174.94 175.28 2ii9 s LEU 36 N 0.59 3.41 -0.58 2.97 2.96 0.14 -0.98 118.68 127.18 2ii9 s LEU 36 Ca -0.14 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 2ii9 s LEU 36 Cb -0.17 -1.86 0.15 0.00 0.50 0.00 0.00 46.19 44.81 2ii9 s LEU 36 CO 0.04 0.09 0.44 0.21 -1.32 0.00 0.00 176.35 175.81 2ii9 s ASN 37 N 0.86 5.71 0.00 3.68 2.47 0.10 -1.17 114.94 126.59 2ii9 s ASN 37 Ca 0.02 -2.39 0.31 0.00 0.42 0.00 0.00 52.86 51.22 2ii9 s ASN 37 Cb -0.14 -1.98 1.70 0.00 -1.45 0.00 0.00 41.25 39.38 2ii9 s ASN 37 CO 0.02 -0.55 2.12 0.00 -3.72 0.00 0.00 177.10 174.97 2ii9 n ALA 38 N 4.23 2.64 -1.99 1.71 0.00 -1.26 -1.04 120.51 124.79 2ii9 n ALA 38 Ca 0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2ii9 n ALA 38 Cb 0.41 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.47 2ii9 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii9 s GLY 39 N -2.19 1.77 0.00 0.00 0.00 -1.25 -4.59 107.32 101.07 2ii9 s GLY 39 Ca 0.41 -1.70 0.23 0.00 0.00 0.00 0.00 44.72 43.65 2ii9 s GLY 39 CO 0.40 -1.22 1.50 1.22 0.00 0.00 0.00 173.10 175.00 2ii9 n ASP 40 N -2.62 2.28 -4.32 1.64 8.00 -1.26 -1.76 116.55 118.51 2ii9 n ASP 40 Ca 0.13 -1.79 -0.31 0.00 0.71 0.00 0.00 54.79 53.53 2ii9 n ASP 40 Cb 0.60 -0.11 -0.16 0.00 -0.02 0.00 0.00 41.12 41.43 2ii9 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii9 s GLU 41 N -1.77 2.18 0.38 -1.24 2.12 -1.26 -4.81 118.70 114.30 2ii9 s GLU 41 Ca 0.34 -0.91 -0.28 0.00 0.36 0.00 0.00 54.97 54.48 2ii9 s GLU 41 Cb 0.20 -2.07 -0.11 0.00 0.26 0.00 0.00 34.13 32.40 2ii9 s GLU 41 CO 0.29 0.55 1.46 -0.25 -0.54 0.00 0.00 175.26 176.77 2ii9 n ASP 42 N 2.48 3.62 -4.58 -1.70 8.00 -1.26 -4.22 116.55 118.89 2ii9 n ASP 42 Ca -0.16 1.21 -0.39 0.00 0.71 0.00 0.00 54.79 56.16 2ii9 n ASP 42 Cb 0.51 -1.60 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 2ii9 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ii9 s ALA 43 N -1.13 3.53 -0.55 2.24 0.00 -0.16 -4.86 121.76 120.83 2ii9 s ALA 43 Ca 0.54 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 2ii9 s ALA 43 Cb -0.48 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.11 2ii9 s ALA 43 CO 0.63 -0.68 0.86 -1.01 0.00 0.00 0.00 175.76 175.56 2ii9 s HIS 44 N 1.83 2.85 0.09 0.00 3.76 -1.26 -0.54 115.29 122.01 2ii9 s HIS 44 Ca 0.09 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.68 2ii9 s HIS 44 Cb -0.16 -3.95 -0.06 0.00 1.11 0.00 0.00 32.58 29.51 2ii9 s HIS 44 CO 0.11 -1.29 0.43 0.08 -0.85 0.00 0.00 174.74 173.22 2ii9 s VAL 45 N 3.61 5.04 -0.06 -0.90 1.01 0.93 -3.49 120.40 126.53 2ii9 s VAL 45 Ca 0.26 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.82 2ii9 s VAL 45 Cb -0.15 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2ii9 s VAL 45 CO 0.16 0.30 -0.11 -1.61 0.00 0.00 0.00 175.10 173.85 2ii9 s GLU 46 N -1.86 1.54 -0.09 2.72 2.02 0.13 -1.62 118.70 121.54 2ii9 s GLU 46 Ca 0.33 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.99 2ii9 s GLU 46 Cb -0.14 -1.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 2ii9 s GLU 46 CO 0.18 0.00 -0.15 0.42 0.02 0.00 0.00 175.26 175.73 2ii9 s ILE 47 N 0.73 2.96 -0.12 -1.63 1.01 0.65 -0.50 121.20 124.30 2ii9 s ILE 47 Ca -0.14 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2ii9 s ILE 47 Cb -0.15 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 2ii9 s ILE 47 CO 0.03 0.56 -0.21 -0.89 0.00 0.00 0.00 174.94 174.43 2ii9 s THR 48 N -0.14 2.29 -0.17 2.92 2.01 -0.18 -1.25 115.64 121.12 2ii9 s THR 48 Ca -0.01 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 2ii9 s THR 48 Cb -0.14 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 2ii9 s THR 48 CO 0.03 0.55 0.23 -0.63 -0.69 0.00 0.00 174.62 174.12 2ii9 s ILE 49 N 0.50 5.34 0.13 1.82 -1.09 -0.26 -1.35 121.20 126.30 2ii9 s ILE 49 Ca -0.14 0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.78 2ii9 s ILE 49 Cb -0.17 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2ii9 s ILE 49 CO 0.05 0.42 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.76 2ii9 s TYR 50 N 0.32 2.69 0.22 3.97 2.02 0.24 -0.46 117.35 126.34 2ii9 s TYR 50 Ca 0.14 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2ii9 s TYR 50 Cb -0.12 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 2ii9 s TYR 50 CO 0.02 0.44 0.04 0.71 -1.57 0.00 0.00 175.55 175.20 2ii9 s TYR 51 N -1.33 1.40 -0.25 2.71 2.02 -1.26 -1.11 117.35 119.53 2ii9 s TYR 51 Ca 0.22 -1.08 0.25 0.00 -0.37 0.00 0.00 57.07 56.09 2ii9 s TYR 51 Cb -0.10 -0.81 0.60 0.00 -0.40 0.00 0.00 41.96 41.25 2ii9 s TYR 51 CO 0.14 -0.25 1.70 0.66 -1.57 0.00 0.00 175.55 176.23 2ii9 h SER 52 N 2.53 0.00 0.00 2.29 4.64 -2.00 -3.40 113.55 117.61 2ii9 h SER 52 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2ii9 h SER 52 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2ii9 h SER 52 CO 0.62 0.06 -0.24 -0.90 -0.87 0.00 0.00 176.83 175.50 2ii9 n ASP 53 N -3.13 0.00 -3.56 4.97 5.68 -1.26 -5.09 116.55 114.17 2ii9 n ASP 53 Ca 0.03 -1.48 -0.11 0.00 -0.50 0.00 0.00 54.79 52.73 2ii9 n ASP 53 Cb 0.49 -0.10 -0.04 0.00 -1.14 0.00 0.00 41.12 40.33 2ii9 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii9 s LYS 54 N 0.00 1.16 0.67 0.11 -2.85 -1.26 -5.17 119.74 112.40 2ii9 s LYS 54 Ca 0.00 -0.62 -0.17 0.00 -1.00 0.00 0.00 55.97 54.18 2ii9 s LYS 54 Cb 0.00 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.27 2ii9 s LYS 54 CO 0.00 -0.48 1.00 0.39 0.10 0.00 0.00 175.35 176.36 2ii9 n GLU 55 N -0.29 0.71 -1.57 1.78 -0.58 -1.26 -4.25 120.64 115.18 2ii9 n GLU 55 Ca -0.16 0.29 -0.33 0.00 -0.42 0.00 0.00 57.16 56.54 2ii9 n GLU 55 Cb 0.64 -2.24 0.07 0.00 -0.57 0.00 0.00 31.44 29.35 2ii9 n GLU 55 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ii9 s PRO 56 N -3.13 2.46 -0.08 3.49 0.04 -1.26 -4.76 135.00 131.77 2ii9 s PRO 56 Ca 0.76 1.52 0.05 0.00 0.04 0.00 0.00 61.00 63.36 2ii9 s PRO 56 Cb -0.37 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2ii9 s PRO 56 CO 0.48 -1.54 -0.24 0.08 0.04 0.00 0.00 177.00 175.82 2ii9 s VAL 57 N -2.26 2.12 -5.00 -0.36 1.01 0.39 -4.95 120.40 111.36 2ii9 s VAL 57 Ca 0.69 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2ii9 s VAL 57 Cb -0.23 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2ii9 s VAL 57 CO 0.44 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.72 2ii9 n GLY 58 N 3.16 -1.63 3.76 4.51 0.00 -1.26 -1.10 105.19 112.63 2ii9 n GLY 58 Ca -0.18 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 2ii9 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii9 s PRO 59 N -2.00 4.80 -0.14 1.61 0.04 -1.26 -5.00 135.00 133.05 2ii9 s PRO 59 Ca 0.00 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 2ii9 s PRO 59 Cb 0.00 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2ii9 s PRO 59 CO 0.00 0.46 0.72 0.71 0.04 0.00 0.00 177.00 178.93 2ii9 s TYR 60 N -1.26 3.46 -0.03 0.56 1.51 -0.38 -4.40 117.35 116.82 2ii9 s TYR 60 Ca 0.43 1.15 0.02 0.00 -1.01 0.00 0.00 57.07 57.66 2ii9 s TYR 60 Cb -0.25 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 2ii9 s TYR 60 CO 0.31 -0.10 -0.05 1.03 -1.11 0.00 0.00 175.55 175.63 2ii9 s ARG 61 N 1.58 2.68 0.16 -0.62 0.52 -1.26 -0.25 118.95 121.75 2ii9 s ARG 61 Ca 0.35 -0.63 -0.24 0.00 -0.52 0.00 0.00 55.73 54.69 2ii9 s ARG 61 Cb -0.17 -2.57 0.06 0.00 0.52 0.00 0.00 34.95 32.79 2ii9 s ARG 61 CO 0.14 0.63 0.74 -0.48 0.02 0.00 0.00 175.30 176.35 2ii9 s LEU 62 N -1.20 -0.38 -0.08 2.53 0.05 -0.64 -5.01 118.68 113.94 2ii9 s LEU 62 Ca 0.16 -0.24 0.05 0.00 0.05 0.00 0.00 54.13 54.14 2ii9 s LEU 62 Cb -0.11 2.47 -0.01 0.00 -2.05 0.00 0.00 46.19 46.49 2ii9 s LEU 62 CO 0.05 -1.01 -0.23 -0.89 -0.55 0.00 0.00 176.35 173.73 2ii9 s THR 63 N -3.62 2.25 -0.35 5.48 2.01 -1.26 -0.05 115.64 120.10 2ii9 s THR 63 Ca 0.06 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 2ii9 s THR 63 Cb -0.02 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.70 2ii9 s THR 63 CO -0.04 0.56 0.11 -0.69 -0.69 0.00 0.00 174.62 173.87 2ii9 s VAL 64 N 0.01 3.51 0.98 3.82 1.01 0.29 -4.97 120.40 125.05 2ii9 s VAL 64 Ca -0.08 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.37 2ii9 s VAL 64 Cb -0.15 -3.09 0.18 0.00 0.00 0.00 0.00 36.38 33.32 2ii9 s VAL 64 CO 0.05 -0.29 1.10 -2.84 0.00 0.00 0.00 175.10 173.12 2ii9 s PRO 65 N 1.31 0.50 0.11 2.72 0.02 -1.26 -0.99 135.00 137.41 2ii9 s PRO 65 Ca -0.00 1.23 -0.35 0.00 0.02 0.00 0.00 61.00 61.90 2ii9 s PRO 65 Cb -0.21 -1.69 -0.17 0.00 0.02 0.00 0.00 34.50 32.46 2ii9 s PRO 65 CO 0.00 -2.88 1.23 0.00 -0.33 0.00 0.00 177.00 175.02 2ii9 n ALA 66 N -4.38 -1.23 -3.73 -1.55 0.00 -1.26 -2.70 120.51 105.67 2ii9 n ALA 66 Ca 0.08 0.50 -0.25 0.00 0.00 0.00 0.00 53.44 53.78 2ii9 n ALA 66 Cb 0.53 -2.01 0.05 0.00 0.00 0.00 0.00 19.45 18.01 2ii9 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii9 n ARG 67 N 2.11 -5.94 -4.02 0.00 1.74 -0.20 -4.99 116.66 105.36 2ii9 n ARG 67 Ca 0.17 0.68 -0.09 0.00 -0.77 0.00 0.00 57.85 57.85 2ii9 n ARG 67 Cb 0.20 -5.51 -0.11 0.00 -1.02 0.00 0.00 32.46 26.02 2ii9 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii9 s ARG 68 N -6.22 0.41 0.11 5.56 1.81 -0.83 -4.99 118.95 114.81 2ii9 s ARG 68 Ca 0.37 -0.81 0.04 0.00 -1.72 0.00 0.00 55.73 53.61 2ii9 s ARG 68 Cb -0.18 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 2ii9 s ARG 68 CO 0.79 -0.06 0.08 -0.08 -0.68 0.00 0.00 175.30 175.35 2ii9 s THR 69 N -2.22 4.39 -0.01 0.02 -1.32 -1.26 -0.72 115.64 114.51 2ii9 s THR 69 Ca -0.09 -0.94 0.01 0.00 -1.21 0.00 0.00 61.69 59.46 2ii9 s THR 69 Cb -0.04 -3.16 0.01 0.00 -1.51 0.00 0.00 72.50 67.79 2ii9 s THR 69 CO -0.04 0.03 -0.02 -0.75 -2.21 0.00 0.00 174.62 171.64 2ii9 s LYS 70 N -2.64 0.23 -0.24 7.08 2.20 -0.16 -4.98 119.74 121.22 2ii9 s LYS 70 Ca 0.29 -0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.75 2ii9 s LYS 70 Cb -0.11 -0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 35.87 2ii9 s LYS 70 CO 0.22 -0.01 0.25 -1.01 -0.36 0.00 0.00 175.35 174.43 2ii9 s HIS 71 N 0.31 3.30 -0.27 4.03 3.76 -1.26 -0.77 115.29 124.40 2ii9 s HIS 71 Ca -0.03 0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 55.16 2ii9 s HIS 71 Cb -0.05 -2.39 0.02 0.00 1.11 0.00 0.00 32.58 31.26 2ii9 s HIS 71 CO -0.01 -0.04 -0.00 0.08 -0.85 0.00 0.00 174.74 173.92 2ii9 s VAL 72 N 1.40 3.33 -0.21 -0.90 1.01 0.14 -4.96 120.40 120.21 2ii9 s VAL 72 Ca 0.11 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2ii9 s VAL 72 Cb -0.15 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2ii9 s VAL 72 CO 0.07 0.16 0.80 -0.13 0.00 0.00 0.00 175.10 176.00 2ii9 s ARG 73 N 1.40 4.23 0.50 2.72 0.52 -1.26 -0.31 118.95 126.74 2ii9 s ARG 73 Ca 0.01 0.91 0.18 0.00 -0.52 0.00 0.00 55.73 56.31 2ii9 s ARG 73 Cb -0.17 -3.61 1.24 0.00 0.52 0.00 0.00 34.95 32.93 2ii9 s ARG 73 CO -0.02 -0.41 2.09 0.74 0.02 0.00 0.00 175.30 177.73 2ii9 h PHE 74 N 7.53 0.00 0.00 -0.53 0.04 -1.05 -1.23 116.94 121.70 2ii9 h PHE 74 Ca -0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 2ii9 h PHE 74 Cb 1.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.26 2ii9 h PHE 74 CO 0.73 0.09 -0.03 -0.97 -0.60 0.00 0.00 178.31 177.54 2ii9 h ASN 75 N 0.00 0.00 -0.01 2.17 -0.73 -1.91 -2.56 115.58 112.53 2ii9 h ASN 75 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2ii9 h ASN 75 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2ii9 h ASN 75 CO 0.01 0.03 -0.53 0.47 -0.37 0.00 0.00 177.43 177.04 2ii9 n ASP 76 N -3.82 1.89 -4.68 1.15 8.00 -0.47 -4.86 116.55 113.76 2ii9 n ASP 76 Ca -0.03 -1.45 -0.42 0.00 0.71 0.00 0.00 54.79 53.60 2ii9 n ASP 76 Cb 0.11 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2ii9 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ii9 s LEU 77 N -2.51 4.26 0.00 0.64 1.43 -0.96 -4.83 118.68 116.70 2ii9 s LEU 77 Ca 0.17 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2ii9 s LEU 77 Cb 0.17 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2ii9 s LEU 77 CO 0.59 -0.71 0.46 -0.46 0.23 0.00 0.00 176.35 176.46 2ii9 n ASN 78 N 5.90 0.00 -3.93 2.29 0.23 -1.26 -3.97 115.26 114.52 2ii9 n ASN 78 Ca 0.13 -1.14 -0.29 0.00 -0.53 0.00 0.00 54.58 52.75 2ii9 n ASN 78 Cb 0.45 -0.03 -0.16 0.00 -2.08 0.00 0.00 39.78 37.96 2ii9 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ii9 s ASP 79 N -0.14 3.08 0.58 0.53 -1.08 -1.26 -1.91 116.67 116.47 2ii9 s ASP 79 Ca 0.00 -0.77 0.37 0.00 -0.52 0.00 0.00 52.55 51.64 2ii9 s ASP 79 Cb 0.00 -1.04 1.77 0.00 -1.46 0.00 0.00 42.92 42.18 2ii9 s ASP 79 CO 0.00 -0.17 2.12 1.55 0.52 0.00 0.00 175.17 179.19 2ii9 h PRO 80 N 8.06 0.00 -1.56 4.34 0.13 -1.95 -3.41 132.00 137.62 2ii9 h PRO 80 Ca -0.25 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.96 2ii9 h PRO 80 Cb 1.11 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.00 2ii9 h PRO 80 CO 0.43 0.00 0.54 0.00 -0.23 0.00 0.00 178.00 178.74 2ii9 s ALA 81 N -3.84 -1.94 0.56 -0.56 0.00 -0.80 -5.14 121.76 110.03 2ii9 s ALA 81 Ca -0.01 1.64 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 2ii9 s ALA 81 Cb 0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 2ii9 s ALA 81 CO 0.48 -0.29 1.17 -2.14 0.00 0.00 0.00 175.76 174.98 2ii9 s PRO 82 N -0.87 3.21 -0.07 0.00 0.02 -1.25 -4.06 135.00 131.99 2ii9 s PRO 82 Ca -0.01 1.73 -0.25 0.00 0.02 0.00 0.00 61.00 62.50 2ii9 s PRO 82 Cb -0.01 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 2ii9 s PRO 82 CO 0.00 -1.00 0.76 0.42 -0.33 0.00 0.00 177.00 176.85 2ii9 s ILE 83 N -1.66 5.00 0.43 2.83 1.01 -1.25 -5.01 121.20 122.54 2ii9 s ILE 83 Ca 0.74 1.55 -0.25 0.00 0.00 0.00 0.00 60.65 62.70 2ii9 s ILE 83 Cb -0.27 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 2ii9 s ILE 83 CO 0.31 0.21 1.13 -0.81 0.00 0.00 0.00 174.94 175.78 2ii9 n PRO 84 N 3.98 1.60 -2.07 2.79 -0.04 -1.26 -5.01 135.00 134.99 2ii9 n PRO 84 Ca 0.00 0.57 -0.29 0.00 -0.04 0.00 0.00 63.50 63.75 2ii9 n PRO 84 Cb 0.51 -2.21 0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2ii9 n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ii9 s HIS 85 N -1.24 3.24 -1.18 0.54 3.76 -1.26 -3.97 115.29 115.17 2ii9 s HIS 85 Ca 0.63 0.86 -0.01 0.00 -0.15 0.00 0.00 55.06 56.39 2ii9 s HIS 85 Cb -0.53 -3.01 0.01 0.00 1.11 0.00 0.00 32.58 30.16 2ii9 s HIS 85 CO 0.57 -1.13 0.05 -3.47 -0.85 0.00 0.00 174.74 169.91 2ii9 n ASP 86 N -2.89 -4.24 -4.05 1.40 2.03 0.62 -4.94 116.55 104.48 2ii9 n ASP 86 Ca 0.06 0.11 -0.25 0.00 0.52 0.00 0.00 54.79 55.24 2ii9 n ASP 86 Cb 0.58 -3.57 -0.16 0.00 -0.72 0.00 0.00 41.12 37.24 2ii9 n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ii9 s THR 87 N -2.71 1.20 0.05 5.18 2.01 -1.25 -5.06 115.64 115.06 2ii9 s THR 87 Ca 0.04 -0.54 -0.31 0.00 0.31 0.00 0.00 61.69 61.19 2ii9 s THR 87 Cb -0.02 -1.08 -0.06 0.00 0.01 0.00 0.00 72.50 71.36 2ii9 s THR 87 CO 0.05 0.37 1.25 -1.81 -0.69 0.00 0.00 174.62 173.79 2ii9 s ASP 88 N 0.49 7.01 0.24 3.53 1.01 -1.26 -4.34 116.67 123.34 2ii9 s ASP 88 Ca -0.12 2.05 -0.00 0.00 0.71 0.00 0.00 52.55 55.19 2ii9 s ASP 88 Cb -0.14 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 2ii9 s ASP 88 CO 0.03 -0.54 0.21 0.72 0.21 0.00 0.00 175.17 175.80 2ii9 s PHE 89 N 1.37 1.20 0.10 4.23 -0.12 -0.76 -4.34 117.98 119.66 2ii9 s PHE 89 Ca 0.60 -1.37 0.02 0.00 -0.05 0.00 0.00 56.93 56.12 2ii9 s PHE 89 Cb -0.30 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.55 2ii9 s PHE 89 CO 0.28 -0.74 -0.07 0.00 -0.05 0.00 0.00 175.22 174.64 2ii9 s ALA 90 N -3.95 0.98 0.06 1.99 0.00 -0.27 -1.64 121.76 118.93 2ii9 s ALA 90 Ca 0.37 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2ii9 s ALA 90 Cb 0.05 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2ii9 s ALA 90 CO 0.15 -0.23 -0.11 -1.54 0.00 0.00 0.00 175.76 174.03 2ii9 s SER 91 N -3.04 1.27 -0.09 0.00 1.04 0.12 -0.60 113.70 112.41 2ii9 s SER 91 Ca 0.12 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2ii9 s SER 91 Cb 0.05 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2ii9 s SER 91 CO -0.05 -0.15 -0.22 -0.69 0.98 0.00 0.00 173.24 173.12 2ii9 s VAL 92 N -1.38 2.30 -0.22 5.02 1.01 -0.46 -0.60 120.40 126.07 2ii9 s VAL 92 Ca -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2ii9 s VAL 92 Cb -0.10 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.45 2ii9 s VAL 92 CO 0.01 0.56 -0.14 -0.63 0.00 0.00 0.00 175.10 174.91 2ii9 s ILE 93 N 0.07 2.00 0.16 2.22 1.01 0.56 -1.01 121.20 126.20 2ii9 s ILE 93 Ca -0.09 -1.25 0.09 0.00 0.00 0.00 0.00 60.65 59.40 2ii9 s ILE 93 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2ii9 s ILE 93 CO 0.06 0.20 -0.16 -1.10 0.00 0.00 0.00 174.94 173.94 2ii9 s GLN 94 N 1.24 1.83 0.03 2.79 -0.21 0.34 -1.02 119.66 124.67 2ii9 s GLN 94 Ca -0.03 -1.29 -0.11 0.00 0.02 0.00 0.00 55.36 53.96 2ii9 s GLN 94 Cb -0.17 -2.07 0.01 0.00 1.00 0.00 0.00 33.01 31.78 2ii9 s GLN 94 CO -0.08 0.45 0.23 0.45 -2.12 0.00 0.00 175.29 174.22 2ii9 s SER 95 N -2.52 -0.04 0.36 5.90 0.15 -0.32 -0.69 113.70 116.55 2ii9 s SER 95 Ca 0.21 -0.26 0.19 0.00 0.70 0.00 0.00 55.95 56.80 2ii9 s SER 95 Cb -0.09 0.30 0.44 0.00 -1.71 0.00 0.00 66.02 64.97 2ii9 s SER 95 CO 0.12 -0.55 1.62 -0.55 1.20 0.00 0.00 173.24 175.08 2ii9 h ASN 96 N 3.49 0.00 -4.52 5.45 -1.07 -1.87 -3.44 115.58 113.62 2ii9 h ASN 96 Ca -0.32 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 55.70 2ii9 h ASN 96 Cb 1.19 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 37.22 2ii9 h ASN 96 CO 0.46 0.34 -0.76 0.68 0.07 0.00 0.00 177.43 178.22 2ii9 s VAL 97 N -3.28 0.82 0.17 6.14 -7.23 -1.26 -5.05 120.40 110.71 2ii9 s VAL 97 Ca 0.03 -1.07 -0.34 0.00 -1.81 0.00 0.00 61.98 58.79 2ii9 s VAL 97 Cb 0.08 -0.82 -0.15 0.00 0.56 0.00 0.00 36.38 36.06 2ii9 s VAL 97 CO 0.69 -0.22 1.43 -2.65 -0.31 0.00 0.00 175.10 174.04 2ii9 n PRO 98 N 1.60 1.78 -4.38 4.82 -0.02 -1.26 -4.63 135.00 132.91 2ii9 n PRO 98 Ca -0.21 0.64 -0.19 0.00 -2.02 0.00 0.00 63.50 61.73 2ii9 n PRO 98 Cb 0.55 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2ii9 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii9 s ILE 99 N 0.43 0.87 -0.10 4.25 -4.36 0.03 -4.72 121.20 117.61 2ii9 s ILE 99 Ca 0.77 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 2ii9 s ILE 99 Cb -0.75 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.25 2ii9 s ILE 99 CO 0.45 -0.02 -0.17 -0.69 0.24 0.00 0.00 174.94 174.74 2ii9 s VAL 100 N -3.53 2.71 -0.06 8.37 1.01 -0.32 -1.34 120.40 127.25 2ii9 s VAL 100 Ca 0.37 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2ii9 s VAL 100 Cb 0.08 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2ii9 s VAL 100 CO 0.14 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.93 2ii9 s VAL 101 N 0.08 1.50 0.02 2.92 1.01 -1.26 0.26 120.40 124.93 2ii9 s VAL 101 Ca -0.07 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2ii9 s VAL 101 Cb -0.15 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2ii9 s VAL 101 CO 0.05 0.43 -0.06 -1.58 0.00 0.00 0.00 175.10 173.94 2ii9 s GLN 102 N 0.18 0.43 -0.28 2.72 0.74 0.29 -4.99 119.66 118.75 2ii9 s GLN 102 Ca -0.08 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 2ii9 s GLN 102 Cb -0.13 -0.25 0.05 0.00 1.10 0.00 0.00 33.01 33.77 2ii9 s GLN 102 CO 0.03 0.05 -0.03 -1.58 -0.55 0.00 0.00 175.29 173.21 2ii9 s HIS 103 N -0.94 3.22 -2.64 1.67 5.65 -1.26 -0.07 115.29 120.92 2ii9 s HIS 103 Ca -0.07 -1.88 0.21 0.00 0.25 0.00 0.00 55.06 53.58 2ii9 s HIS 103 Cb -0.07 -2.07 0.17 0.00 -1.18 0.00 0.00 32.58 29.43 2ii9 s HIS 103 CO 0.00 -0.80 1.17 0.25 -0.65 0.00 0.00 174.74 174.71