#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n VAL 2 N 0.00 1.28 -4.35 3.17 3.14 -1.26 -3.23 118.33 117.08 3i9d n VAL 2 Ca 0.00 -0.32 -0.20 0.00 -2.96 0.00 0.00 64.34 60.85 3i9d n VAL 2 Cb 0.00 -0.08 -0.07 0.00 -1.06 0.00 0.00 33.84 32.63 3i9d n VAL 2 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i9d n LYS 3 N 1.20 0.47 -3.66 1.45 5.02 -0.39 -2.92 118.16 119.32 3i9d n LYS 3 Ca 0.18 -3.16 -0.25 0.00 -2.02 0.00 0.00 58.31 53.06 3i9d n LYS 3 Cb 0.20 2.23 -0.17 0.00 -0.02 0.00 0.00 35.03 37.26 3i9d n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9d s ILE 4 N -3.15 0.07 0.00 -0.18 1.09 -1.14 -2.47 121.20 115.42 3i9d s ILE 4 Ca 0.30 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.75 3i9d s ILE 4 Cb 0.01 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.83 3i9d s ILE 4 CO 0.21 -0.13 0.00 -2.11 -0.10 0.00 0.00 174.94 172.81 3i9d n ARG 5 N 5.23 0.00 -3.60 2.79 1.85 0.81 -2.45 116.66 121.28 3i9d n ARG 5 Ca -0.07 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.41 3i9d n ARG 5 Cb 0.49 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.80 3i9d n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i9d s LEU 6 N 0.00 4.09 -1.03 2.89 1.02 -1.25 0.15 118.68 124.56 3i9d s LEU 6 Ca 0.00 0.12 -0.05 0.00 0.02 0.00 0.00 54.13 54.21 3i9d s LEU 6 Cb 0.00 -2.16 0.26 0.00 0.02 0.00 0.00 46.19 44.31 3i9d s LEU 6 CO 0.00 0.01 1.04 0.00 0.02 0.00 0.00 176.35 177.42 3i9d n ALA 7 N 4.59 4.21 -1.50 4.21 0.00 -0.54 -4.85 120.51 126.63 3i9d n ALA 7 Ca -0.14 -4.67 -0.41 0.00 0.00 0.00 0.00 53.44 48.22 3i9d n ALA 7 Cb 0.52 -2.14 -0.12 0.00 0.00 0.00 0.00 19.45 17.72 3i9d n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9d n ARG 8 N 2.30 0.31 0.00 0.00 0.63 -1.26 -3.92 116.66 114.71 3i9d n ARG 8 Ca 0.24 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 3i9d n ARG 8 Cb 0.38 -2.03 0.00 0.00 0.45 0.00 0.00 32.46 31.25 3i9d n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i9d n PHE 9 N 11.72 0.00 -0.93 -0.14 0.99 -0.52 -4.94 117.46 123.64 3i9d n PHE 9 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.02 3i9d n PHE 9 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 3i9d n PHE 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i9d n GLY 10 N 5.00 2.42 3.40 1.37 0.00 -1.26 -4.31 105.19 111.81 3i9d n GLY 10 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3i9d n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i9d s SER 11 N -4.00 0.01 0.23 1.61 1.04 -1.23 -5.03 113.70 106.34 3i9d s SER 11 Ca 0.00 -0.98 -0.31 0.00 0.48 0.00 0.00 55.95 55.13 3i9d s SER 11 Cb 0.00 0.48 -0.12 0.00 0.10 0.00 0.00 66.02 66.48 3i9d s SER 11 CO 0.00 -0.97 1.68 -0.75 0.98 0.00 0.00 173.24 174.18 3i9d s LYS 12 N -4.02 4.13 -2.00 4.02 2.20 -1.26 -1.03 119.74 121.78 3i9d s LYS 12 Ca 0.23 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 3i9d s LYS 12 Cb 0.03 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 3i9d s LYS 12 CO 0.05 -0.71 0.00 0.72 -0.36 0.00 0.00 175.35 175.05 3i9d n HIS 13 N 3.44 -0.53 -2.77 4.03 8.25 -1.26 -4.81 115.22 121.57 3i9d n HIS 13 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 3i9d n HIS 13 Cb 0.36 -3.76 0.05 0.00 1.12 0.00 0.00 29.99 27.76 3i9d n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i9d n ASN 14 N -1.72 1.35 -4.42 0.41 5.15 -0.20 -5.12 115.26 110.71 3i9d n ASN 14 Ca -0.23 -2.28 -0.59 0.00 -0.60 0.00 0.00 54.58 50.88 3i9d n ASN 14 Cb 0.69 -0.43 -0.08 0.00 -0.53 0.00 0.00 39.78 39.43 3i9d n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3i9d n PRO 15 N -0.44 0.00 -3.66 1.20 -0.02 -1.23 -3.48 135.00 127.36 3i9d n PRO 15 Ca 0.07 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 3i9d n PRO 15 Cb 0.81 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.75 3i9d n PRO 15 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3i9d s HIS 16 N 0.44 -0.90 0.20 6.00 3.76 -1.26 -4.56 115.29 118.96 3i9d s HIS 16 Ca 0.91 1.76 0.01 0.00 -0.15 0.00 0.00 55.06 57.58 3i9d s HIS 16 Cb -1.27 0.47 0.01 0.00 1.11 0.00 0.00 32.58 32.90 3i9d s HIS 16 CO 0.59 -0.48 0.08 0.66 -0.85 0.00 0.00 174.74 174.74 3i9d n TYR 17 N 4.66 -0.36 -3.66 1.40 4.02 0.23 -1.44 117.16 122.02 3i9d n TYR 17 Ca -0.18 -0.90 -0.09 0.00 -0.01 0.00 0.00 57.90 56.72 3i9d n TYR 17 Cb 0.54 -0.15 -0.10 0.00 -0.02 0.00 0.00 39.34 39.62 3i9d n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3i9d s ARG 18 N -2.76 0.30 -0.24 -0.72 0.52 -1.25 -3.06 118.95 111.74 3i9d s ARG 18 Ca 0.06 0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 55.95 3i9d s ARG 18 Cb -0.00 0.25 -0.00 0.00 0.52 0.00 0.00 34.95 35.71 3i9d s ARG 18 CO 0.04 -0.25 1.28 0.42 0.02 0.00 0.00 175.30 176.81 3i9d s ILE 19 N 2.47 4.21 0.14 1.52 -1.09 0.21 -1.47 121.20 127.20 3i9d s ILE 19 Ca -0.02 1.42 -0.10 0.00 -2.23 0.00 0.00 60.65 59.72 3i9d s ILE 19 Cb -0.12 -4.09 -0.00 0.00 -1.58 0.00 0.00 42.46 36.67 3i9d s ILE 19 CO -0.12 -0.32 0.28 0.54 -1.23 0.00 0.00 174.94 174.08 3i9d s VAL 20 N 3.98 0.09 -0.20 2.92 0.11 0.12 -2.04 120.40 125.39 3i9d s VAL 20 Ca 0.55 -1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.37 3i9d s VAL 20 Cb -0.19 -1.60 -0.00 0.00 -1.53 0.00 0.00 36.38 33.06 3i9d s VAL 20 CO 0.19 -0.41 -0.09 0.68 -3.33 0.00 0.00 175.10 172.14 3i9d s VAL 21 N -3.91 3.01 0.34 2.04 -7.23 -0.65 -0.13 120.40 113.86 3i9d s VAL 21 Ca 0.11 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.56 3i9d s VAL 21 Cb 0.03 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.66 3i9d s VAL 21 CO -0.05 0.46 0.61 0.28 -0.31 0.00 0.00 175.10 176.09 3i9d s THR 22 N 1.32 0.00 0.63 5.32 -1.32 -1.03 0.30 115.64 120.85 3i9d s THR 22 Ca 0.04 -1.31 -0.17 0.00 -1.21 0.00 0.00 61.69 59.04 3i9d s THR 22 Cb -0.14 -2.60 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 3i9d s THR 22 CO -0.05 0.00 1.16 -0.62 -2.21 0.00 0.00 174.62 172.90 3i9d s ASP 23 N -3.11 5.11 0.21 8.08 -1.08 -1.26 -1.27 116.67 123.35 3i9d s ASP 23 Ca 0.22 2.20 -0.04 0.00 -0.52 0.00 0.00 52.55 54.41 3i9d s ASP 23 Cb -0.03 -2.58 0.19 0.00 -1.46 0.00 0.00 42.92 39.04 3i9d s ASP 23 CO 0.14 -1.64 1.63 0.00 0.52 0.00 0.00 175.17 175.82 3i9d h ALA 24 N 0.46 0.87 -0.13 3.66 0.00 -1.87 -2.35 119.26 119.91 3i9d h ALA 24 Ca -0.49 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3i9d h ALA 24 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i9d h ALA 24 CO 0.54 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.96 3i9d n ARG 25 N -4.11 1.54 0.00 0.00 1.74 -1.26 -4.86 116.66 109.72 3i9d n ARG 25 Ca -0.00 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.27 3i9d n ARG 25 Cb 0.44 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3i9d n ARG 25 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i9d n ARG 26 N 0.04 1.45 -3.92 5.56 0.00 -0.89 -5.07 116.66 113.83 3i9d n ARG 26 Ca 0.15 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.77 3i9d n ARG 26 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.66 3i9d n ARG 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3i9d s LYS 27 N 0.00 2.34 0.00 -0.14 2.20 -1.26 -5.04 119.74 117.85 3i9d s LYS 27 Ca 0.00 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 53.89 3i9d s LYS 27 Cb 0.00 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 3i9d s LYS 27 CO 0.00 -0.13 0.44 -2.13 -0.36 0.00 0.00 175.35 173.16 3i9d n ARG 28 N -1.35 0.00 -1.46 4.03 3.00 -1.26 -3.30 116.66 116.32 3i9d n ARG 28 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.56 3i9d n ARG 28 Cb 0.63 -0.94 -0.06 0.00 0.00 0.00 0.00 32.46 32.09 3i9d n ARG 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i9d n ASP 29 N -0.48 7.14 -4.49 6.15 10.43 -1.26 -4.77 116.55 129.27 3i9d n ASP 29 Ca 0.00 -2.87 -0.33 0.00 2.57 0.00 0.00 54.79 54.16 3i9d n ASP 29 Cb 0.00 -1.39 -0.13 0.00 1.84 0.00 0.00 41.12 41.44 3i9d n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3i9d s GLY 30 N 1.18 1.59 -0.15 0.44 0.00 -1.21 -5.03 107.32 104.13 3i9d s GLY 30 Ca 0.62 -0.93 -0.21 0.00 0.00 0.00 0.00 44.72 44.20 3i9d s GLY 30 CO -0.10 -0.62 0.66 0.58 0.00 0.00 0.00 173.10 173.63 3i9d n LYS 31 N 2.53 0.00 -3.92 2.90 2.85 -1.26 -4.73 118.16 116.53 3i9d n LYS 31 Ca -0.18 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.87 3i9d n LYS 31 Cb 0.52 -0.70 -0.05 0.00 -0.65 0.00 0.00 35.03 34.16 3i9d n LYS 31 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3i9d s TYR 32 N 0.91 2.83 0.08 5.58 1.13 -1.26 -4.82 117.35 121.79 3i9d s TYR 32 Ca 0.47 -0.33 -0.23 0.00 -1.41 0.00 0.00 57.07 55.57 3i9d s TYR 32 Cb -0.66 -1.74 -0.14 0.00 -1.10 0.00 0.00 41.96 38.32 3i9d s TYR 32 CO 0.34 0.24 1.68 0.82 -2.51 0.00 0.00 175.55 176.12 3i9d h ILE 33 N 1.36 1.07 -1.56 -3.49 1.08 0.42 -3.47 117.51 112.91 3i9d h ILE 33 Ca -0.44 -0.20 0.08 0.00 -0.39 0.00 0.00 64.86 63.90 3i9d h ILE 33 Cb 1.25 1.12 -0.23 0.00 -3.07 0.00 0.00 36.82 35.89 3i9d h ILE 33 CO 0.60 0.06 0.53 -0.70 -0.69 0.00 0.00 178.15 177.96 3i9d s GLU 34 N -5.89 0.58 -0.10 2.37 2.12 -0.92 -5.01 118.70 111.85 3i9d s GLU 34 Ca -0.13 0.20 -0.18 0.00 0.36 0.00 0.00 54.97 55.22 3i9d s GLU 34 Cb 0.06 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 3i9d s GLU 34 CO 0.67 -0.17 0.47 0.21 -0.54 0.00 0.00 175.26 175.90 3i9d s LYS 35 N -0.93 4.30 -0.31 4.30 2.20 -1.26 -1.64 119.74 126.40 3i9d s LYS 35 Ca -0.01 0.45 0.14 0.00 -0.36 0.00 0.00 55.97 56.19 3i9d s LYS 35 Cb -0.01 -3.41 0.47 0.00 -1.51 0.00 0.00 37.83 33.37 3i9d s LYS 35 CO 0.01 0.22 1.10 0.44 -0.36 0.00 0.00 175.35 176.76 3i9d n ILE 36 N 3.44 1.76 0.00 5.43 -5.35 -0.86 -5.01 119.36 118.77 3i9d n ILE 36 Ca -0.08 -3.65 0.00 0.00 -0.27 0.00 0.00 62.75 58.75 3i9d n ILE 36 Cb 0.52 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3i9d n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9d n GLY 37 N -0.51 3.55 3.07 3.28 0.00 -1.24 -3.29 105.19 110.05 3i9d n GLY 37 Ca 0.23 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 3i9d n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i9d n TYR 38 N -0.19 -1.53 -3.53 1.61 0.18 -1.20 0.66 117.16 113.16 3i9d n TYR 38 Ca 0.00 -1.78 -0.15 0.00 1.88 0.00 0.00 57.90 57.85 3i9d n TYR 38 Cb 0.00 -0.40 -0.05 0.00 -0.38 0.00 0.00 39.34 38.51 3i9d n TYR 38 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3i9d s TYR 39 N -2.04 -0.54 -0.41 -3.48 5.04 -1.17 -2.56 117.35 112.18 3i9d s TYR 39 Ca 0.36 0.88 0.03 0.00 -2.44 0.00 0.00 57.07 55.90 3i9d s TYR 39 Cb -0.03 0.44 0.16 0.00 0.35 0.00 0.00 41.96 42.88 3i9d s TYR 39 CO 0.23 -0.53 0.32 0.34 -1.34 0.00 0.00 175.55 174.56 3i9d s ASP 40 N -1.31 1.92 0.00 4.32 3.68 -1.22 -0.60 116.67 123.47 3i9d s ASP 40 Ca -0.07 -2.91 0.00 0.00 2.13 0.00 0.00 52.55 51.70 3i9d s ASP 40 Cb -0.00 -0.49 0.00 0.00 -1.45 0.00 0.00 42.92 40.98 3i9d s ASP 40 CO 0.05 -0.20 0.37 -0.81 0.13 0.00 0.00 175.17 174.72 3i9d n PRO 41 N 3.06 0.00 0.05 4.34 -0.04 -1.26 0.10 135.00 141.25 3i9d n PRO 41 Ca 0.25 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3i9d n PRO 41 Cb 0.45 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.41 3i9d n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9d n ARG 42 N -0.87 0.43 0.00 0.54 1.74 -1.26 -4.97 116.66 112.26 3i9d n ARG 42 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3i9d n ARG 42 Cb 0.01 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 3i9d n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9d n LYS 43 N -2.24 0.00 0.00 5.56 5.02 0.28 -4.83 118.16 121.95 3i9d n LYS 43 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3i9d n LYS 43 Cb 0.49 -3.53 0.00 0.00 -0.02 0.00 0.00 35.03 31.97 3i9d n LYS 43 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3i9d n THR 44 N -1.95 0.00 -3.59 -0.18 -2.24 -1.26 -4.45 114.28 100.61 3i9d n THR 44 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3i9d n THR 44 Cb 0.00 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 3i9d n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i9d s THR 45 N -0.26 0.00 -0.05 4.28 2.01 -1.26 -5.01 115.64 115.34 3i9d s THR 45 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3i9d s THR 45 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.56 3i9d s THR 45 CO 0.00 0.00 0.95 -0.81 -0.69 0.00 0.00 174.62 174.07 3i9d n PRO 46 N 1.61 0.04 -1.59 4.92 -0.04 -1.26 -0.33 135.00 138.35 3i9d n PRO 46 Ca -0.14 0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 3i9d n PRO 46 Cb 0.56 -2.04 0.07 0.00 -0.04 0.00 0.00 33.50 32.06 3i9d n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i9d n ASP 47 N -1.67 5.53 -0.83 3.54 8.00 -1.26 -4.76 116.55 125.11 3i9d n ASP 47 Ca -0.00 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.73 3i9d n ASP 47 Cb 0.42 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3i9d n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3i9d n TRP 48 N -0.85 0.00 0.00 1.24 4.27 0.55 -4.54 117.44 118.11 3i9d n TRP 48 Ca 0.49 -0.14 0.00 0.00 -3.89 0.00 0.00 57.50 53.96 3i9d n TRP 48 Cb 0.88 -0.12 0.00 0.00 -1.36 0.00 0.00 31.31 30.71 3i9d n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 3i9d n LEU 49 N 0.61 0.00 -3.07 5.67 7.94 -1.26 -3.44 117.00 123.45 3i9d n LEU 49 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3i9d n LEU 49 Cb 0.18 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.12 3i9d n LEU 49 CO 0.00 0.00 0.08 -0.75 -1.11 0.00 0.00 177.39 175.61 3i9d s LYS 50 N -0.70 0.90 0.75 1.96 2.36 -1.06 -5.00 119.74 118.95 3i9d s LYS 50 Ca 0.00 -0.61 -0.13 0.00 -2.55 0.00 0.00 55.97 52.69 3i9d s LYS 50 Cb 0.00 -0.02 0.18 0.00 -1.05 0.00 0.00 37.83 36.94 3i9d s LYS 50 CO 0.00 -1.24 0.72 0.28 1.55 0.00 0.00 175.35 176.66 3i9d n VAL 51 N 3.87 0.00 -3.26 4.02 0.31 -1.26 -3.24 118.33 118.77 3i9d n VAL 51 Ca 0.14 -0.36 -0.25 0.00 -0.01 0.00 0.00 64.34 63.86 3i9d n VAL 51 Cb 0.56 -1.24 -0.08 0.00 -0.91 0.00 0.00 33.84 32.17 3i9d n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i9d n ASP 52 N -4.07 -0.21 -0.22 4.52 2.03 -1.21 -4.80 116.55 112.60 3i9d n ASP 52 Ca 0.10 -2.57 -0.01 0.00 0.52 0.00 0.00 54.79 52.83 3i9d n ASP 52 Cb 0.37 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.25 3i9d n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3i9d n VAL 53 N 2.04 -0.31 -0.39 5.18 0.24 -1.26 -1.02 118.33 122.81 3i9d n VAL 53 Ca 0.25 1.36 -0.08 0.00 -2.04 0.00 0.00 64.34 63.82 3i9d n VAL 53 Cb 0.51 -1.78 -0.07 0.00 -1.47 0.00 0.00 33.84 31.03 3i9d n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i9d n GLU 54 N -4.84 -0.38 0.03 7.34 -0.58 -1.26 -2.53 120.64 118.43 3i9d n GLU 54 Ca 0.05 1.45 -0.22 0.00 -0.42 0.00 0.00 57.16 58.02 3i9d n GLU 54 Cb 0.22 -2.13 -0.14 0.00 -0.57 0.00 0.00 31.44 28.82 3i9d n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9d h ARG 55 N 0.00 0.31 -0.99 3.49 3.08 -1.49 -3.36 114.38 115.42 3i9d h ARG 55 Ca 0.19 -0.54 0.37 0.00 0.07 0.00 0.00 59.98 60.07 3i9d h ARG 55 Cb 0.43 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.50 3i9d h ARG 55 CO -0.91 1.26 0.39 0.00 -1.07 0.00 0.00 179.97 179.64 3i9d h ALA 56 N 0.04 1.85 -1.48 0.04 0.00 -1.09 -1.84 119.26 116.78 3i9d h ALA 56 Ca -0.35 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i9d h ALA 56 Cb 1.97 0.39 0.00 0.00 0.00 0.00 0.00 17.79 20.15 3i9d h ALA 56 CO 0.11 -0.81 0.00 0.54 0.00 0.00 0.00 179.25 179.10 3i9d n ARG 57 N -5.31 0.00 -0.25 0.00 5.12 -1.05 -2.24 116.66 112.94 3i9d n ARG 57 Ca 0.33 0.33 -0.02 0.00 -1.93 0.00 0.00 57.85 56.57 3i9d n ARG 57 Cb 1.10 -1.25 0.01 0.00 -1.16 0.00 0.00 32.46 31.16 3i9d n ARG 57 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3i9d n TYR 58 N -1.38 -0.03 0.15 -1.55 4.19 -0.72 -0.39 117.16 117.43 3i9d n TYR 58 Ca 0.00 0.79 -0.08 0.00 3.31 0.00 0.00 57.90 61.92 3i9d n TYR 58 Cb 0.00 -0.71 -0.04 0.00 0.49 0.00 0.00 39.34 39.08 3i9d n TYR 58 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 3i9d h TRP 59 N 0.00 -0.60 -1.20 2.98 -0.00 -1.56 -1.36 115.95 114.21 3i9d h TRP 59 Ca 0.20 0.00 0.44 0.00 -0.00 0.00 0.00 58.89 59.53 3i9d h TRP 59 Cb 0.36 0.23 -0.14 0.00 -0.00 0.00 0.00 29.16 29.61 3i9d h TRP 59 CO -0.58 -0.31 0.74 1.28 -0.00 0.00 0.00 178.44 179.57 3i9d n LEU 60 N -3.67 0.24 0.03 -4.49 4.77 0.48 -0.30 117.00 114.06 3i9d n LEU 60 Ca -0.06 1.40 -0.15 0.00 -0.03 0.00 0.00 56.01 57.16 3i9d n LEU 60 Cb 0.21 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3i9d n LEU 60 CO 0.13 -1.53 0.21 0.77 -1.33 0.00 0.00 177.39 175.64 3i9d h SER 61 N 0.00 0.73 0.12 -1.43 4.64 -0.26 -3.18 113.55 114.16 3i9d h SER 61 Ca 0.83 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3i9d h SER 61 Cb 2.52 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 64.39 3i9d h SER 61 CO -0.53 1.32 0.00 1.33 -0.87 0.00 0.00 176.83 178.08 3i9d n VAL 62 N -3.84 0.05 0.00 0.95 0.24 0.59 -4.80 118.33 111.51 3i9d n VAL 62 Ca -0.07 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3i9d n VAL 62 Cb 0.80 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 3i9d n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9d n GLY 63 N 0.71 1.83 3.75 7.63 0.00 -1.09 -5.10 105.19 112.92 3i9d n GLY 63 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3i9d n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d s ALA 64 N -2.00 2.41 -0.28 4.61 0.00 -0.83 -4.80 121.76 120.87 3i9d s ALA 64 Ca 0.00 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3i9d s ALA 64 Cb 0.00 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.78 3i9d s ALA 64 CO 0.00 -1.37 0.09 -0.65 0.00 0.00 0.00 175.76 173.83 3i9d s GLN 65 N -3.63 0.58 0.60 0.00 -1.52 -1.15 -4.67 119.66 109.88 3i9d s GLN 65 Ca 0.74 -0.82 -0.16 0.00 -1.95 0.00 0.00 55.36 53.17 3i9d s GLN 65 Cb -0.28 -1.82 -0.03 0.00 -0.22 0.00 0.00 33.01 30.66 3i9d s GLN 65 CO 0.38 -0.93 1.07 -1.25 -0.25 0.00 0.00 175.29 174.32 3i9d s PRO 66 N 1.77 3.20 0.00 2.91 0.04 -1.26 -2.90 135.00 138.76 3i9d s PRO 66 Ca 0.07 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3i9d s PRO 66 Cb -0.17 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3i9d s PRO 66 CO -0.25 -0.92 0.00 2.41 0.04 0.00 0.00 177.00 178.29 3i9d n THR 67 N -2.06 0.00 0.03 1.26 -1.04 -1.03 -4.77 114.28 106.67 3i9d n THR 67 Ca 0.09 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3i9d n THR 67 Cb 0.52 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3i9d n THR 67 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i9d n ASP 68 N 0.00 0.81 0.30 8.00 8.00 -1.26 -4.04 116.55 128.37 3i9d n ASP 68 Ca 0.00 0.11 0.14 0.00 0.71 0.00 0.00 54.79 55.75 3i9d n ASP 68 Cb 0.00 -0.26 0.75 0.00 -0.02 0.00 0.00 41.12 41.59 3i9d n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9d h THR 69 N -0.04 0.00 0.00 -3.53 1.03 -1.98 0.30 112.91 108.69 3i9d h THR 69 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 3i9d h THR 69 Cb 0.04 0.61 -0.00 0.00 -1.07 0.00 0.00 68.15 67.73 3i9d h THR 69 CO 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 175.52 175.34 3i9d h ALA 70 N 1.37 0.02 -0.33 0.00 0.00 -1.89 -3.18 119.26 115.25 3i9d h ALA 70 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3i9d h ALA 70 Cb 0.60 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3i9d h ALA 70 CO 0.00 0.13 -0.54 -0.09 0.00 0.00 0.00 179.25 178.75 3i9d h ARG 71 N -1.00 -0.43 -1.08 0.00 2.43 -0.81 0.49 114.38 113.98 3i9d h ARG 71 Ca -0.03 0.03 0.31 0.00 -0.81 0.00 0.00 59.98 59.49 3i9d h ARG 71 Cb 0.45 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 3i9d h ARG 71 CO -0.02 -0.29 0.94 -0.09 -1.51 0.00 0.00 179.97 179.01 3i9d h ARG 72 N -0.45 0.00 0.00 0.20 1.12 -0.73 1.41 114.38 115.94 3i9d h ARG 72 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 3i9d h ARG 72 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 3i9d h ARG 72 CO -0.55 0.00 -0.37 1.28 -3.11 0.00 0.00 179.97 177.22 3i9d n LEU 73 N -3.79 0.55 0.03 3.80 4.77 0.17 -2.27 117.00 120.26 3i9d n LEU 73 Ca 0.24 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.61 3i9d n LEU 73 Cb 1.29 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 42.01 3i9d n LEU 73 CO 0.34 -0.02 -0.40 0.18 -1.33 0.00 0.00 177.39 176.16 3i9d n LEU 74 N -1.87 0.38 0.04 2.23 4.77 0.46 -3.65 117.00 119.35 3i9d n LEU 74 Ca 0.05 0.08 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 3i9d n LEU 74 Cb 0.39 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3i9d n LEU 74 CO 0.33 -0.04 0.20 -0.09 -1.33 0.00 0.00 177.39 176.46 3i9d h ARG 75 N 0.00 -0.11 0.00 3.23 2.43 -0.75 -2.73 114.38 116.44 3i9d h ARG 75 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i9d h ARG 75 Cb 0.95 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3i9d h ARG 75 CO 0.00 -0.07 0.00 0.94 -1.51 0.00 0.00 179.97 179.33 3i9d n GLN 76 N -2.67 0.09 -0.03 0.20 7.27 -0.96 -2.40 117.38 118.87 3i9d n GLN 76 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.03 3i9d n GLN 76 Cb 0.05 -1.24 -0.01 0.00 2.41 0.00 0.00 30.24 31.45 3i9d n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i9d n ALA 77 N -0.74 0.22 0.00 1.69 0.00 -1.18 -5.02 120.51 115.47 3i9d n ALA 77 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3i9d n ALA 77 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3i9d n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 78 N 1.67 0.24 0.09 0.00 0.00 -1.01 -5.04 105.19 101.14 3i9d n GLY 78 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 3i9d n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i9d h VAL 79 N 0.00 0.90 -0.40 1.61 2.07 -1.70 -3.37 116.25 115.37 3i9d h VAL 79 Ca 0.00 -2.71 -0.07 0.00 0.82 0.00 0.00 66.70 64.74 3i9d h VAL 79 Cb 0.00 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 3i9d h VAL 79 CO 0.00 0.62 0.09 0.49 0.02 0.00 0.00 177.57 178.79 3i9d n PHE 80 N -3.18 1.36 -3.87 1.57 3.01 -1.25 -4.85 117.46 110.26 3i9d n PHE 80 Ca -0.18 -0.64 -0.35 0.00 1.01 0.00 0.00 57.45 57.29 3i9d n PHE 80 Cb 1.04 -0.42 -0.13 0.00 -0.01 0.00 0.00 39.48 39.96 3i9d n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3i9d s ARG 81 N -2.00 2.22 0.00 -1.08 3.52 -1.26 -4.93 118.95 115.42 3i9d s ARG 81 Ca 0.32 -1.49 0.29 0.00 -0.13 0.00 0.00 55.73 54.72 3i9d s ARG 81 Cb 0.25 -3.32 1.26 0.00 -1.56 0.00 0.00 34.95 31.58 3i9d s ARG 81 CO 0.09 -0.79 1.87 0.00 -0.81 0.00 0.00 175.30 175.65 3i9d n GLN 82 N 4.59 1.00 0.00 5.12 0.00 -1.26 -5.03 117.38 121.80 3i9d n GLN 82 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 57.00 56.52 3i9d n GLN 82 Cb 0.43 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.17 3i9d n GLN 82 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3i9d n GLU 83 N -0.65 0.00 0.00 2.61 4.07 -1.26 -5.30 120.64 120.11 3i9d n GLU 83 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 3i9d n GLU 83 Cb 0.27 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.65 3i9d n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07