#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpd s LEU 1 N 0.00 4.11 0.37 2.46 1.43 -1.26 -4.91 118.68 120.88 3bpd s LEU 1 Ca 0.00 1.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 3bpd s LEU 1 Cb 0.00 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.73 3bpd s LEU 1 CO 0.00 -0.81 0.75 -1.59 0.23 0.00 0.00 176.35 174.93 3bpd s LYS 2 N 3.58 2.17 3.13 1.70 -2.85 -1.25 -4.28 119.74 121.94 3bpd s LYS 2 Ca 0.53 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 3bpd s LYS 2 Cb -0.19 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3bpd s LYS 2 CO 0.15 -1.01 0.00 0.41 0.10 0.00 0.00 175.35 175.00 3bpd n GLY 3 N -0.53 0.21 3.69 0.59 0.00 -1.26 -0.59 105.19 107.30 3bpd n GLY 3 Ca -0.07 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3bpd n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bpd s LEU 4 N 0.00 4.31 -0.17 0.99 1.43 -1.26 -1.15 118.68 122.82 3bpd s LEU 4 Ca 0.00 2.08 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 3bpd s LEU 4 Cb 0.00 -3.56 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 3bpd s LEU 4 CO 0.00 -0.72 -0.06 0.54 0.23 0.00 0.00 176.35 176.33 3bpd n ARG 5 N 5.51 1.00 -3.78 1.70 5.12 0.14 -1.18 116.66 125.18 3bpd n ARG 5 Ca 0.13 0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.98 3bpd n ARG 5 Cb 0.44 -1.38 -0.11 0.00 -1.16 0.00 0.00 32.46 30.25 3bpd n ARG 5 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3bpd s ARG 6 N -2.37 0.39 -0.05 5.56 3.52 -0.97 -0.74 118.95 124.29 3bpd s ARG 6 Ca -0.17 0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 3bpd s ARG 6 Cb 0.06 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.64 3bpd s ARG 6 CO 0.52 -0.06 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.34 3bpd s LEU 7 N -0.12 1.64 -0.28 -0.88 1.43 -0.67 -1.39 118.68 118.41 3bpd s LEU 7 Ca -0.03 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3bpd s LEU 7 Cb -0.03 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.54 3bpd s LEU 7 CO 0.01 0.03 0.04 -0.69 0.23 0.00 0.00 176.35 175.98 3bpd s VAL 8 N 0.52 3.72 -0.14 -1.59 1.01 0.45 -1.65 120.40 122.72 3bpd s VAL 8 Ca -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3bpd s VAL 8 Cb -0.13 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3bpd s VAL 8 CO 0.02 0.13 -0.11 -0.76 0.00 0.00 0.00 175.10 174.38 3bpd s LEU 9 N 1.47 2.80 -0.26 3.92 1.43 0.53 -0.31 118.68 128.25 3bpd s LEU 9 Ca 0.02 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 3bpd s LEU 9 Cb -0.17 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3bpd s LEU 9 CO 0.01 0.16 0.68 -0.62 0.23 0.00 0.00 176.35 176.80 3bpd s ASP 10 N 0.40 6.63 0.00 2.29 3.68 0.46 -0.35 116.67 129.78 3bpd s ASP 10 Ca -0.09 0.76 0.04 0.00 2.13 0.00 0.00 52.55 55.39 3bpd s ASP 10 Cb -0.16 -2.36 -0.01 0.00 -1.45 0.00 0.00 42.92 38.94 3bpd s ASP 10 CO 0.05 -0.42 -0.13 -0.69 0.13 0.00 0.00 175.17 174.11 3bpd s VAL 11 N 2.60 1.01 -0.03 1.11 1.01 -0.65 -0.36 120.40 125.09 3bpd s VAL 11 Ca 0.28 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3bpd s VAL 11 Cb -0.15 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3bpd s VAL 11 CO 0.09 0.21 -0.00 -0.22 0.00 0.00 0.00 175.10 175.17 3bpd s LEU 12 N -0.51 3.52 0.17 3.92 2.96 -0.31 -1.82 118.68 126.62 3bpd s LEU 12 Ca 0.04 0.05 -0.23 0.00 -0.22 0.00 0.00 54.13 53.77 3bpd s LEU 12 Cb -0.06 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.76 3bpd s LEU 12 CO -0.00 0.32 0.62 -1.59 -1.32 0.00 0.00 176.35 174.38 3bpd s LYS 13 N -1.28 1.34 0.51 1.98 -2.85 -0.65 -1.92 119.74 116.87 3bpd s LYS 13 Ca 0.17 -0.54 -0.15 0.00 -1.00 0.00 0.00 55.97 54.45 3bpd s LYS 13 Cb -0.11 0.59 -0.07 0.00 -2.06 0.00 0.00 37.83 36.17 3bpd s LYS 13 CO 0.07 -0.59 0.96 -1.25 0.10 0.00 0.00 175.35 174.64 3bpd s PRO 14 N -3.77 3.90 0.41 1.78 0.04 -1.26 0.15 135.00 136.25 3bpd s PRO 14 Ca 0.02 0.87 0.23 0.00 0.04 0.00 0.00 61.00 62.17 3bpd s PRO 14 Cb -0.02 -2.17 1.26 0.00 0.04 0.00 0.00 34.50 33.61 3bpd s PRO 14 CO -0.10 -0.26 1.68 0.45 0.04 0.00 0.00 177.00 178.81 3bpd h HIS 15 N 0.87 0.64 -3.67 0.56 3.86 -1.84 -3.39 115.15 112.19 3bpd h HIS 15 Ca -0.47 0.03 -0.67 0.00 -1.16 0.00 0.00 60.37 58.10 3bpd h HIS 15 Cb 1.19 -0.17 -0.24 0.00 1.06 0.00 0.00 27.41 29.25 3bpd h HIS 15 CO 0.63 -0.11 -0.75 -1.21 0.86 0.00 0.00 177.93 177.36 3bpd s GLU 16 N -5.43 2.94 0.84 2.45 0.41 -1.26 -3.49 118.70 115.17 3bpd s GLU 16 Ca -0.08 -0.65 -0.12 0.00 -0.41 0.00 0.00 54.97 53.71 3bpd s GLU 16 Cb 0.28 -2.55 0.10 0.00 -1.78 0.00 0.00 34.13 30.19 3bpd s GLU 16 CO 0.81 0.46 1.15 -1.25 -0.49 0.00 0.00 175.26 175.94 3bpd s PRO 17 N -0.29 1.68 0.52 0.39 0.04 -1.26 -4.97 135.00 131.11 3bpd s PRO 17 Ca 0.03 0.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.12 3bpd s PRO 17 Cb -0.13 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 3bpd s PRO 17 CO 0.03 -1.82 1.07 0.15 0.04 0.00 0.00 177.00 176.47 3bpd s LYS 18 N -5.40 3.61 0.57 4.56 1.02 -1.23 -4.90 119.74 117.96 3bpd s LYS 18 Ca 0.62 1.43 0.35 0.00 0.02 0.00 0.00 55.97 58.39 3bpd s LYS 18 Cb -0.13 -2.06 1.46 0.00 -0.52 0.00 0.00 37.83 36.58 3bpd s LYS 18 CO 0.51 -0.61 1.72 1.79 -0.92 0.00 0.00 175.35 177.85 3bpd h THR 19 N 1.33 0.29 -0.70 2.17 1.35 -1.94 0.12 112.91 115.52 3bpd h THR 19 Ca -0.49 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.39 3bpd h THR 19 Cb 1.23 0.34 -0.04 0.00 -1.73 0.00 0.00 68.15 67.96 3bpd h THR 19 CO 0.58 0.00 0.45 0.40 -0.25 0.00 0.00 175.52 176.70 3bpd h ILE 20 N 0.00 1.12 -0.40 6.82 2.04 -1.99 0.16 117.51 125.26 3bpd h ILE 20 Ca 0.52 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 66.08 3bpd h ILE 20 Cb 2.31 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3bpd h ILE 20 CO -0.01 0.16 0.25 0.58 0.00 0.00 0.00 178.15 179.14 3bpd h VAL 21 N 0.89 1.12 -0.03 1.67 2.07 -1.33 -0.55 116.25 120.09 3bpd h VAL 21 Ca 0.28 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3bpd h VAL 21 Cb -0.01 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3bpd h VAL 21 CO -0.10 0.11 -0.24 -0.26 0.02 0.00 0.00 177.57 177.11 3bpd h PHE 22 N 0.53 -0.64 -0.29 1.57 -1.00 -1.44 0.10 116.94 115.77 3bpd h PHE 22 Ca 0.14 0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.01 3bpd h PHE 22 Cb -0.03 0.29 -0.07 0.00 3.61 0.00 0.00 35.95 39.75 3bpd h PHE 22 CO -0.04 -0.33 -0.15 0.00 -1.61 0.00 0.00 178.31 176.18 3bpd h ALA 23 N 0.51 0.07 0.74 2.45 0.00 -0.60 0.15 119.26 122.59 3bpd h ALA 23 Ca 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3bpd h ALA 23 Cb 0.45 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3bpd h ALA 23 CO -0.23 -0.55 -0.50 -0.07 0.00 0.00 0.00 179.25 177.90 3bpd h LEU 24 N -0.11 -1.27 -0.63 0.00 3.38 -0.68 0.80 115.31 116.79 3bpd h LEU 24 Ca 0.15 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.32 3bpd h LEU 24 Cb 0.34 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 3bpd h LEU 24 CO -0.36 -0.74 0.14 0.11 0.09 0.00 0.00 178.44 177.68 3bpd h LYS 25 N -1.17 0.26 -0.79 1.13 6.56 -0.77 0.12 116.57 121.91 3bpd h LYS 25 Ca -0.10 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.43 3bpd h LYS 25 Cb 0.95 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.52 3bpd h LYS 25 CO 0.07 0.17 0.29 -0.07 -2.06 0.00 0.00 179.45 177.86 3bpd h LEU 26 N 0.27 1.10 -1.14 2.94 3.38 -0.58 -2.56 115.31 118.73 3bpd h LEU 26 Ca 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3bpd h LEU 26 Cb 0.51 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3bpd h LEU 26 CO -0.42 0.99 0.00 0.77 0.09 0.00 0.00 178.44 179.87 3bpd h SER 27 N 1.15 0.00 -0.26 -0.43 4.64 0.87 -2.38 113.55 117.14 3bpd h SER 27 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3bpd h SER 27 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3bpd h SER 27 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 3bpd n GLU 28 N -2.71 1.91 -2.34 4.77 1.02 -0.14 -4.85 120.64 118.30 3bpd n GLU 28 Ca 0.01 -1.38 -0.38 0.00 -0.02 0.00 0.00 57.16 55.39 3bpd n GLU 28 Cb 0.27 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 3bpd n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bpd s LEU 29 N -1.42 4.18 0.18 -4.62 1.43 -0.90 -4.97 118.68 112.56 3bpd s LEU 29 Ca 0.32 2.28 -0.13 0.00 -1.03 0.00 0.00 54.13 55.57 3bpd s LEU 29 Cb 0.18 -4.06 0.17 0.00 0.03 0.00 0.00 46.19 42.51 3bpd s LEU 29 CO 0.25 -0.65 1.72 -0.08 0.23 0.00 0.00 176.35 177.82 3bpd h GLU 30 N 2.60 0.22 -0.33 1.70 4.81 -1.90 -2.81 114.58 118.87 3bpd h GLU 30 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3bpd h GLU 30 Cb 1.23 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3bpd h GLU 30 CO 0.62 0.15 0.00 0.09 -0.73 0.00 0.00 179.01 179.14 3bpd n ASN 31 N -5.11 2.38 -4.67 1.04 3.02 -1.26 -4.91 115.26 105.75 3bpd n ASN 31 Ca 0.05 -1.88 -0.43 0.00 -0.03 0.00 0.00 54.58 52.29 3bpd n ASN 31 Cb 0.23 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3bpd n ASN 31 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bpd s VAL 32 N -1.57 4.65 0.03 2.41 1.01 -1.06 -1.51 120.40 124.36 3bpd s VAL 32 Ca 0.33 1.96 -0.11 0.00 0.00 0.00 0.00 61.98 64.17 3bpd s VAL 32 Cb 0.18 -4.27 -0.33 0.00 0.00 0.00 0.00 36.38 31.97 3bpd s VAL 32 CO 0.26 -0.11 0.98 0.44 0.00 0.00 0.00 175.10 176.67 3bpd h ASP 33 N 7.41 0.68 -5.36 3.32 3.32 0.16 -3.46 116.42 122.49 3bpd h ASP 33 Ca -0.24 -0.77 0.23 0.00 0.02 0.00 0.00 57.03 56.27 3bpd h ASP 33 Cb 1.10 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.32 3bpd h ASP 33 CO 0.93 1.61 0.64 -0.83 -1.72 0.00 0.00 179.24 179.87 3bpd s GLY 34 N -4.71 -0.33 -0.05 2.75 0.00 -0.77 -5.02 107.32 99.19 3bpd s GLY 34 Ca -0.09 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 3bpd s GLY 34 CO 0.91 0.11 0.13 0.14 0.00 0.00 0.00 173.10 174.40 3bpd s VAL 35 N -2.89 -0.02 -0.12 1.40 1.01 -1.26 -1.38 120.40 117.14 3bpd s VAL 35 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3bpd s VAL 35 Cb 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.20 3bpd s VAL 35 CO -0.02 0.03 -0.18 0.21 0.00 0.00 0.00 175.10 175.14 3bpd s ASN 36 N 0.50 2.72 -0.25 3.32 3.84 0.63 -4.98 114.94 120.72 3bpd s ASN 36 Ca -0.04 -0.50 0.01 0.00 0.21 0.00 0.00 52.86 52.55 3bpd s ASN 36 Cb -0.05 -1.24 0.05 0.00 -0.55 0.00 0.00 41.25 39.46 3bpd s ASN 36 CO -0.02 0.04 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.60 3bpd s ILE 37 N 0.90 2.38 -0.21 -5.21 1.01 -1.26 0.28 121.20 119.09 3bpd s ILE 37 Ca -0.07 -1.42 -0.08 0.00 0.00 0.00 0.00 60.65 59.08 3bpd s ILE 37 Cb -0.15 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3bpd s ILE 37 CO -0.01 0.07 0.09 -2.28 0.00 0.00 0.00 174.94 172.80 3bpd s HIS 38 N 1.18 3.22 -0.12 3.97 2.46 -0.09 -4.94 115.29 120.95 3bpd s HIS 38 Ca -0.05 -0.02 -0.29 0.00 0.47 0.00 0.00 55.06 55.16 3bpd s HIS 38 Cb -0.19 -2.16 -0.02 0.00 -0.13 0.00 0.00 32.58 30.08 3bpd s HIS 38 CO -0.05 -0.00 1.24 -1.17 -2.47 0.00 0.00 174.74 172.29 3bpd s LEU 39 N 0.86 4.22 -0.15 8.88 2.96 -1.26 -0.42 118.68 133.77 3bpd s LEU 39 Ca 0.05 1.74 -0.18 0.00 -0.22 0.00 0.00 54.13 55.52 3bpd s LEU 39 Cb -0.13 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 3bpd s LEU 39 CO 0.03 -0.70 0.41 0.28 -1.32 0.00 0.00 176.35 175.04 3bpd h SER 40 N 7.94 0.20 -3.07 3.68 0.02 0.40 -3.48 113.55 119.25 3bpd h SER 40 Ca -0.29 -0.74 0.11 0.00 -0.84 0.00 0.00 61.79 60.02 3bpd h SER 40 Cb 1.12 -0.07 -0.28 0.00 0.14 0.00 0.00 62.40 63.32 3bpd h SER 40 CO 0.94 1.56 0.62 -0.70 -1.14 0.00 0.00 176.83 178.10 3bpd s GLU 41 N -2.42 0.37 -0.07 3.45 2.12 -0.89 -4.99 118.70 116.27 3bpd s GLU 41 Ca -0.24 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 3bpd s GLU 41 Cb 0.05 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 3bpd s GLU 41 CO 0.69 -0.06 0.01 0.42 -0.54 0.00 0.00 175.26 175.78 3bpd s ILE 42 N -0.13 4.35 0.00 -3.70 1.01 -1.26 -0.66 121.20 120.81 3bpd s ILE 42 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3bpd s ILE 42 Cb -0.04 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3bpd s ILE 42 CO -0.08 0.55 0.00 0.47 0.00 0.00 0.00 174.94 175.88 3bpd n ASP 43 N 1.94 1.07 -4.69 3.58 10.43 -0.68 -5.00 116.55 123.19 3bpd n ASP 43 Ca -0.18 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.78 3bpd n ASP 43 Cb 0.53 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.45 3bpd n ASP 43 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3bpd s GLN 44 N 1.03 4.39 0.00 -1.24 -0.21 -1.26 -3.80 119.66 118.56 3bpd s GLN 44 Ca 0.00 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.43 3bpd s GLN 44 Cb 0.00 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.50 3bpd s GLN 44 CO 0.00 -0.15 0.00 0.00 -2.12 0.00 0.00 175.29 173.02 3bpd n ALA 45 N 4.52 0.00 -2.27 6.09 0.00 -1.26 -4.87 120.51 122.72 3bpd n ALA 45 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 3bpd n ALA 45 Cb 0.50 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 3bpd n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bpd s THR 46 N -0.76 1.11 -0.26 0.00 2.01 -1.25 -3.64 115.64 112.87 3bpd s THR 46 Ca 0.00 -2.05 -0.10 0.00 0.31 0.00 0.00 61.69 59.85 3bpd s THR 46 Cb 0.00 -1.97 0.11 0.00 0.01 0.00 0.00 72.50 70.65 3bpd s THR 46 CO 0.00 -0.64 0.57 -0.70 -0.69 0.00 0.00 174.62 173.15 3bpd s GLU 47 N -3.78 0.50 -0.29 4.92 2.12 0.12 -1.69 118.70 120.61 3bpd s GLU 47 Ca 0.19 1.25 -0.14 0.00 0.36 0.00 0.00 54.97 56.63 3bpd s GLU 47 Cb 0.03 0.55 -0.04 0.00 0.26 0.00 0.00 34.13 34.93 3bpd s GLU 47 CO 0.02 -0.21 0.33 -0.80 -0.54 0.00 0.00 175.26 174.07 3bpd s ASN 48 N 2.53 6.18 0.20 -1.70 0.01 0.16 -1.64 114.94 120.69 3bpd s ASN 48 Ca -0.05 0.12 0.09 0.00 -0.71 0.00 0.00 52.86 52.31 3bpd s ASN 48 Cb -0.11 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3bpd s ASN 48 CO -0.17 -0.18 -0.19 0.27 -1.51 0.00 0.00 177.10 175.33 3bpd s ILE 49 N 1.99 2.02 -0.20 0.60 -4.36 -0.76 0.11 121.20 120.59 3bpd s ILE 49 Ca 0.12 -2.11 -0.04 0.00 -0.26 0.00 0.00 60.65 58.37 3bpd s ILE 49 Cb -0.16 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 3bpd s ILE 49 CO 0.11 -0.37 -0.04 -0.54 0.24 0.00 0.00 174.94 174.33 3bpd s LYS 50 N -3.13 3.46 -0.24 0.37 -0.14 0.44 -1.64 119.74 118.86 3bpd s LYS 50 Ca 0.21 -0.60 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 3bpd s LYS 50 Cb -0.05 -2.98 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 3bpd s LYS 50 CO 0.09 -0.07 0.02 0.42 -0.76 0.00 0.00 175.35 175.05 3bpd s ILE 51 N 1.16 3.87 -0.25 2.17 1.01 0.52 -0.92 121.20 128.77 3bpd s ILE 51 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 3bpd s ILE 51 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3bpd s ILE 51 CO -0.00 0.38 0.04 -0.89 0.00 0.00 0.00 174.94 174.47 3bpd s THR 52 N 1.54 4.01 -0.19 2.92 2.01 0.14 -0.35 115.64 125.73 3bpd s THR 52 Ca 0.06 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3bpd s THR 52 Cb -0.15 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3bpd s THR 52 CO 0.00 0.31 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.49 3bpd s ILE 53 N 1.56 2.76 -0.11 1.82 1.01 -0.66 -0.27 121.20 127.31 3bpd s ILE 53 Ca 0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 3bpd s ILE 53 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3bpd s ILE 53 CO 0.02 0.49 -0.07 -0.22 0.00 0.00 0.00 174.94 175.15 3bpd s LEU 54 N 1.20 3.12 0.00 2.97 2.96 -0.48 -1.68 118.68 126.77 3bpd s LEU 54 Ca 0.02 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3bpd s LEU 54 Cb -0.14 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3bpd s LEU 54 CO -0.05 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 3bpd n GLY 55 N 2.85 0.84 3.12 7.98 0.00 0.08 0.88 105.19 120.95 3bpd n GLY 55 Ca -0.18 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 3bpd n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bpd s ASN 56 N 2.00 2.31 -1.49 1.61 3.04 -0.57 -4.43 114.94 117.41 3bpd s ASN 56 Ca 0.00 -0.39 -0.02 0.00 0.04 0.00 0.00 52.86 52.49 3bpd s ASN 56 Cb 0.00 -0.90 0.00 0.00 -1.54 0.00 0.00 41.25 38.82 3bpd s ASN 56 CO 0.00 0.12 0.15 -3.20 -3.04 0.00 0.00 177.10 171.13 3bpd n ASN 57 N 3.46 0.33 -4.75 -4.21 5.15 0.24 -4.73 115.26 110.75 3bpd n ASN 57 Ca -0.20 -1.20 -0.38 0.00 -0.60 0.00 0.00 54.58 52.20 3bpd n ASN 57 Cb 0.52 -2.03 0.03 0.00 -0.53 0.00 0.00 39.78 37.78 3bpd n ASN 57 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3bpd s LEU 58 N -7.26 3.87 -0.49 1.20 1.43 -0.32 -4.78 118.68 112.32 3bpd s LEU 58 Ca 0.03 2.69 -0.16 0.00 -1.03 0.00 0.00 54.13 55.65 3bpd s LEU 58 Cb -0.01 -4.28 0.08 0.00 0.03 0.00 0.00 46.19 42.01 3bpd s LEU 58 CO 0.97 -1.48 0.47 -0.62 0.23 0.00 0.00 176.35 175.92 3bpd s ASP 59 N -1.03 6.17 0.13 2.29 3.68 -1.26 -4.53 116.67 122.12 3bpd s ASP 59 Ca 0.71 -1.30 -0.27 0.00 2.13 0.00 0.00 52.55 53.82 3bpd s ASP 59 Cb -0.38 -2.22 -0.04 0.00 -1.45 0.00 0.00 42.92 38.83 3bpd s ASP 59 CO 0.45 -0.75 1.61 0.22 0.13 0.00 0.00 175.17 176.83 3bpd h TYR 60 N 8.85 -0.91 -0.99 -5.34 3.20 -1.99 -1.69 116.97 118.09 3bpd h TYR 60 Ca -0.28 0.04 0.19 0.00 3.14 0.00 0.00 58.73 61.81 3bpd h TYR 60 Cb 1.10 0.41 -0.11 0.00 1.54 0.00 0.00 36.73 39.68 3bpd h TYR 60 CO 0.68 -0.41 0.59 0.93 -1.64 0.00 0.00 178.16 178.31 3bpd h GLU 61 N -0.44 0.71 0.00 1.82 4.39 -1.99 0.96 114.58 120.03 3bpd h GLU 61 Ca 0.08 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 3bpd h GLU 61 Cb 0.56 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3bpd h GLU 61 CO -0.32 0.47 -0.44 0.37 -1.16 0.00 0.00 179.01 177.92 3bpd h GLN 62 N 0.73 0.00 0.00 2.33 4.15 -1.76 -0.98 115.11 119.59 3bpd h GLN 62 Ca 0.58 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 60.00 3bpd h GLN 62 Cb 0.91 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.60 3bpd h GLN 62 CO -0.39 0.44 -0.00 0.82 -1.93 0.00 0.00 178.83 177.77 3bpd h ILE 63 N 0.00 1.60 -0.81 2.39 2.04 -0.10 -2.65 117.51 119.98 3bpd h ILE 63 Ca -0.00 -1.83 0.05 0.00 1.00 0.00 0.00 64.86 64.08 3bpd h ILE 63 Cb 0.81 2.83 -0.05 0.00 -0.74 0.00 0.00 36.82 39.68 3bpd h ILE 63 CO 0.06 0.47 0.53 0.50 0.00 0.00 0.00 178.15 179.71 3bpd h LYS 64 N -0.79 0.91 0.28 2.37 3.64 -1.02 -1.56 116.57 120.40 3bpd h LYS 64 Ca -0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3bpd h LYS 64 Cb 0.78 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3bpd h LYS 64 CO 0.00 0.60 -0.13 0.78 -2.27 0.00 0.00 179.45 178.43 3bpd h GLY 65 N 0.94 -0.39 0.31 5.01 0.00 -1.19 -0.75 103.07 107.00 3bpd h GLY 65 Ca 0.33 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.82 3bpd h GLY 65 CO -0.11 -0.14 -0.44 -2.08 0.00 0.00 0.00 176.54 173.76 3bpd h VAL 66 N -0.38 0.12 -0.47 4.60 2.07 -1.00 -0.56 116.25 120.62 3bpd h VAL 66 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.58 3bpd h VAL 66 Cb 0.29 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 3bpd h VAL 66 CO 0.06 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.81 3bpd h ILE 67 N -0.73 0.31 -0.44 4.57 2.04 -1.13 -0.67 117.51 121.46 3bpd h ILE 67 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3bpd h ILE 67 Cb 0.72 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3bpd h ILE 67 CO -0.21 0.00 0.11 -0.33 0.00 0.00 0.00 178.15 177.72 3bpd h GLU 68 N -0.14 0.66 -1.99 2.37 5.08 -0.94 0.08 114.58 119.70 3bpd h GLU 68 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3bpd h GLU 68 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3bpd h GLU 68 CO -0.56 0.60 0.00 -0.25 -1.00 0.00 0.00 179.01 177.80 3bpd n ASP 69 N -4.31 1.33 -0.12 1.42 9.92 -0.24 -3.99 116.55 120.57 3bpd n ASP 69 Ca 0.03 -1.31 0.01 0.00 -0.53 0.00 0.00 54.79 52.99 3bpd n ASP 69 Cb 0.20 -0.28 0.02 0.00 -0.64 0.00 0.00 41.12 40.43 3bpd n ASP 69 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bpd n GLY 71 N 1.82 1.59 3.92 0.44 0.00 -1.18 -5.07 105.19 106.71 3bpd n GLY 71 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3bpd n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bpd s GLY 72 N -0.74 1.49 -0.04 -0.02 0.00 0.01 -4.45 107.32 103.57 3bpd s GLY 72 Ca 0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 3bpd s GLY 72 CO 0.03 -0.54 0.09 0.54 0.00 0.00 0.00 173.10 173.22 3bpd s VAL 73 N -2.67 -0.00 -0.32 1.40 0.11 -0.81 -3.52 120.40 114.59 3bpd s VAL 73 Ca 0.47 0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.32 3bpd s VAL 73 Cb -0.10 -0.14 -0.00 0.00 -1.53 0.00 0.00 36.38 34.61 3bpd s VAL 73 CO 0.42 0.00 0.67 -0.63 -3.33 0.00 0.00 175.10 172.23 3bpd s ILE 74 N 0.10 4.88 -0.06 7.04 1.01 -1.26 -1.16 121.20 131.75 3bpd s ILE 74 Ca -0.00 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 3bpd s ILE 74 Cb -0.01 -4.06 -0.30 0.00 0.01 0.00 0.00 42.46 38.10 3bpd s ILE 74 CO -0.00 -0.23 0.71 0.45 0.00 0.00 0.00 174.94 175.88 3bpd h HIS 75 N 8.27 0.61 -2.80 3.97 3.86 -1.05 -3.49 115.15 124.53 3bpd h HIS 75 Ca -0.26 -0.45 -0.06 0.00 -1.16 0.00 0.00 60.37 58.44 3bpd h HIS 75 Cb 1.11 -0.02 -0.16 0.00 1.06 0.00 0.00 27.41 29.40 3bpd h HIS 75 CO 0.76 1.54 0.04 -1.54 0.86 0.00 0.00 177.93 179.59 3bpd s SER 76 N -7.17 -0.44 -0.47 2.45 1.04 -1.05 -5.00 113.70 103.07 3bpd s SER 76 Ca -0.16 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.28 3bpd s SER 76 Cb 0.04 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.73 3bpd s SER 76 CO 0.83 -0.73 0.39 -0.69 0.98 0.00 0.00 173.24 174.01 3bpd s VAL 77 N -2.53 5.04 0.10 5.02 1.01 -1.26 -0.40 120.40 127.37 3bpd s VAL 77 Ca -0.05 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.81 3bpd s VAL 77 Cb -0.01 -4.06 -0.22 0.00 0.00 0.00 0.00 36.38 32.10 3bpd s VAL 77 CO -0.02 -0.61 1.21 0.44 0.00 0.00 0.00 175.10 176.11 3bpd h ASP 78 N 8.71 0.03 -3.92 3.32 3.32 -1.04 -3.47 116.42 123.37 3bpd h ASP 78 Ca -0.28 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 3bpd h ASP 78 Cb 1.10 -0.01 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 3bpd h ASP 78 CO 0.88 1.03 -0.04 -0.70 -1.72 0.00 0.00 179.24 178.68 3bpd s GLU 79 N -2.69 0.67 -0.03 3.56 2.12 -1.21 -4.96 118.70 116.16 3bpd s GLU 79 Ca 0.00 0.81 0.03 0.00 0.36 0.00 0.00 54.97 56.17 3bpd s GLU 79 Cb 0.10 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.81 3bpd s GLU 79 CO 0.82 -0.08 -0.12 0.08 -0.54 0.00 0.00 175.26 175.43 3bpd s VAL 80 N 0.35 1.00 -0.10 3.70 1.01 -1.26 -0.41 120.40 124.68 3bpd s VAL 80 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3bpd s VAL 80 Cb -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.48 3bpd s VAL 80 CO 0.00 0.30 -0.15 -0.69 0.00 0.00 0.00 175.10 174.56 3bpd s VAL 81 N 0.17 1.44 0.04 2.92 1.01 -0.48 -4.98 120.40 120.51 3bpd s VAL 81 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3bpd s VAL 81 Cb -0.10 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3bpd s VAL 81 CO 0.01 0.43 -0.05 0.00 0.00 0.00 0.00 175.10 175.49 3bpd s ALA 82 N 0.90 0.41 0.00 5.51 0.00 -1.26 0.25 121.76 127.58 3bpd s ALA 82 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3bpd s ALA 82 Cb -0.15 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3bpd s ALA 82 CO -0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3bpd n GLY 83 N 1.27 0.74 0.10 0.00 0.00 -0.30 -4.83 105.19 102.17 3bpd n GLY 83 Ca -0.22 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 3bpd n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bpd n LYS 84 N 0.00 0.68 -4.35 1.61 5.02 -1.26 -3.88 118.16 115.97 3bpd n LYS 84 Ca 0.00 0.18 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 3bpd n LYS 84 Cb 0.00 -1.66 -0.09 0.00 -0.02 0.00 0.00 35.03 33.26 3bpd n LYS 84 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bpd s ILE 85 N -2.55 4.34 -0.27 -0.18 1.01 -1.26 -4.90 121.20 117.40 3bpd s ILE 85 Ca -0.14 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3bpd s ILE 85 Cb 0.07 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3bpd s ILE 85 CO 0.78 0.60 1.22 -0.63 0.00 0.00 0.00 174.94 176.91 3bpd s ILE 86 N -0.81 4.30 -0.16 2.92 -1.09 -1.26 -4.83 121.20 120.26 3bpd s ILE 86 Ca 0.12 1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 60.00 3bpd s ILE 86 Cb -0.11 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 3bpd s ILE 86 CO 0.02 -0.38 0.03 -0.69 -1.23 0.00 0.00 174.94 172.70 3bpd s VAL 87 N 3.90 4.49 0.28 2.92 1.01 -1.26 -5.10 120.40 126.65 3bpd s VAL 87 Ca 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 3bpd s VAL 87 Cb -0.17 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3bpd s VAL 87 CO 0.18 0.49 0.50 -1.61 0.00 0.00 0.00 175.10 174.66 3bpd s GLU 88 N 0.22 3.55 0.23 2.72 0.41 -1.26 -4.93 118.70 119.64 3bpd s GLU 88 Ca 0.02 -0.22 -0.30 0.00 -0.41 0.00 0.00 54.97 54.06 3bpd s GLU 88 Cb -0.13 -2.71 -0.09 0.00 -1.78 0.00 0.00 34.13 29.42 3bpd s GLU 88 CO 0.01 0.25 1.26 0.45 -0.49 0.00 0.00 175.26 176.74 3bpd s SER 89 N -3.47 6.96 0.00 -0.19 0.15 -1.26 -5.24 113.70 110.65 3bpd s SER 89 Ca 0.41 2.41 0.31 0.00 0.70 0.00 0.00 55.95 59.77 3bpd s SER 89 Cb -0.10 -2.62 1.65 0.00 -1.71 0.00 0.00 66.02 63.23 3bpd s SER 89 CO 0.32 -0.45 2.08 0.52 1.20 0.00 0.00 173.24 176.91