#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 3.34 0.00 1.04 1.43 -1.26 -4.88 118.68 118.35 3bpd s LEU 1 Ca 0.00 0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3bpd s LEU 1 Cb 0.00 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.72 3bpd s LEU 1 CO 0.00 -2.64 0.39 2.29 0.23 0.00 0.00 176.35 176.61 3bpd n LYS 2 N 9.10 0.56 0.00 1.70 2.85 -1.26 -4.21 118.16 126.90 3bpd n LYS 2 Ca 0.29 -1.95 0.00 0.00 -1.05 0.00 0.00 58.31 55.60 3bpd n LYS 2 Cb 0.53 1.95 0.00 0.00 -0.65 0.00 0.00 35.03 36.87 3bpd n LYS 2 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bpd n GLY 3 N -0.41 0.65 3.66 2.58 0.00 -1.26 -0.97 105.19 109.44 3bpd n GLY 3 Ca -0.01 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.20 0.99 1.43 -1.26 -1.09 118.68 122.86 3bpd s LEU 4 Ca 0.00 2.31 0.15 0.00 -1.03 0.00 0.00 54.13 55.56 3bpd s LEU 4 Cb 0.00 -3.53 -0.23 0.00 0.03 0.00 0.00 46.19 42.46 3bpd s LEU 4 CO 0.00 -0.99 0.01 0.54 0.23 0.00 0.00 176.35 176.14 3bpd n ARG 5 N 7.29 0.76 -3.73 1.70 5.12 0.28 -1.65 116.66 126.42 3bpd n ARG 5 Ca 0.18 0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.99 3bpd n ARG 5 Cb 0.42 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.12 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 -2.48 0.50 -0.03 5.56 3.52 -0.99 0.05 118.95 125.09 3bpd s ARG 6 Ca -0.14 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.99 3bpd s ARG 6 Cb 0.06 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 3bpd s ARG 6 CO 0.76 -0.07 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.59 3bpd s LEU 7 N 0.09 1.77 -0.28 -0.88 1.43 0.42 -0.65 118.68 120.57 3bpd s LEU 7 Ca -0.01 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3bpd s LEU 7 Cb -0.03 -0.52 0.04 0.00 0.03 0.00 0.00 46.19 45.71 3bpd s LEU 7 CO 0.01 0.05 -0.02 -0.69 0.23 0.00 0.00 176.35 175.93 3bpd s VAL 8 N 0.23 3.02 -0.12 -1.59 1.01 -0.56 -0.24 120.40 122.14 3bpd s VAL 8 Ca -0.04 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.78 3bpd s VAL 8 Cb -0.09 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3bpd s VAL 8 CO 0.00 0.05 -0.12 -0.76 0.00 0.00 0.00 175.10 174.27 3bpd s LEU 9 N 1.31 2.79 -0.51 3.92 1.43 0.89 -0.70 118.68 127.81 3bpd s LEU 9 Ca -0.02 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 3bpd s LEU 9 Cb -0.18 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.45 3bpd s LEU 9 CO -0.02 0.19 0.83 -0.62 0.23 0.00 0.00 176.35 176.95 3bpd s ASP 10 N 0.21 6.34 -0.01 2.29 3.68 -0.22 -0.83 116.67 128.13 3bpd s ASP 10 Ca -0.08 -0.36 0.05 0.00 2.13 0.00 0.00 52.55 54.29 3bpd s ASP 10 Cb -0.15 -2.39 -0.03 0.00 -1.45 0.00 0.00 42.92 38.90 3bpd s ASP 10 CO 0.05 -1.05 -0.16 -0.69 0.13 0.00 0.00 175.17 173.45 3bpd s VAL 11 N 3.47 2.95 -0.15 1.11 1.01 0.32 -0.58 120.40 128.52 3bpd s VAL 11 Ca 0.27 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3bpd s VAL 11 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3bpd s VAL 11 CO 0.19 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.46 3bpd s LEU 12 N -1.00 2.79 0.10 3.92 2.96 -0.26 -0.39 118.68 126.81 3bpd s LEU 12 Ca 0.13 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 3bpd s LEU 12 Cb -0.11 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3bpd s LEU 12 CO 0.02 0.12 0.25 -1.59 -1.32 0.00 0.00 176.35 173.84 3bpd s LYS 13 N 0.62 0.93 0.77 1.98 -2.85 -0.81 -0.94 119.74 119.43 3bpd s LYS 13 Ca -0.06 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 53.89 3bpd s LYS 13 Cb -0.15 0.38 0.05 0.00 -2.06 0.00 0.00 37.83 36.05 3bpd s LYS 13 CO 0.03 -0.32 1.08 -1.25 0.10 0.00 0.00 175.35 174.99 3bpd s PRO 14 N -3.85 2.33 0.39 1.78 0.04 -1.26 -0.53 135.00 133.90 3bpd s PRO 14 Ca 0.05 0.80 0.18 0.00 0.04 0.00 0.00 61.00 62.07 3bpd s PRO 14 Cb 0.04 -1.93 1.08 0.00 0.04 0.00 0.00 34.50 33.73 3bpd s PRO 14 CO -0.10 -1.49 1.77 0.45 0.04 0.00 0.00 177.00 177.67 3bpd h HIS 15 N -1.00 0.68 -4.07 0.56 3.86 -1.89 -3.40 115.15 109.89 3bpd h HIS 15 Ca -0.46 0.02 -0.69 0.00 -1.16 0.00 0.00 60.37 58.09 3bpd h HIS 15 Cb 1.25 -0.20 -0.26 0.00 1.06 0.00 0.00 27.41 29.26 3bpd h HIS 15 CO 0.52 0.07 -0.81 -2.00 0.86 0.00 0.00 177.93 176.58 3bpd s GLU 16 N -5.51 2.53 0.88 2.45 2.56 -1.26 -4.05 118.70 116.30 3bpd s GLU 16 Ca -0.09 -0.77 -0.12 0.00 0.00 0.00 0.00 54.97 53.99 3bpd s GLU 16 Cb 0.25 -2.31 0.12 0.00 2.00 0.00 0.00 34.13 34.19 3bpd s GLU 16 CO 0.80 0.53 1.10 -1.25 -0.56 0.00 0.00 175.26 175.88 3bpd s PRO 17 N -0.51 1.39 0.51 4.30 0.04 -1.26 -4.98 135.00 134.50 3bpd s PRO 17 Ca 0.07 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 3bpd s PRO 17 Cb -0.12 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 3bpd s PRO 17 CO 0.01 -2.10 1.06 0.15 0.04 0.00 0.00 177.00 176.16 3bpd s LYS 18 N -5.06 3.66 0.29 4.56 1.02 -1.26 -4.93 119.74 118.03 3bpd s LYS 18 Ca 0.63 1.39 0.04 0.00 0.02 0.00 0.00 55.97 58.05 3bpd s LYS 18 Cb -0.16 -2.07 0.74 0.00 -0.52 0.00 0.00 37.83 35.82 3bpd s LYS 18 CO 0.56 -0.55 1.68 1.15 -0.92 0.00 0.00 175.35 177.26 3bpd h THR 19 N 1.37 0.40 -0.84 2.17 2.02 -1.96 -0.29 112.91 115.79 3bpd h THR 19 Ca -0.49 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 66.64 3bpd h THR 19 Cb 1.23 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 3bpd h THR 19 CO 0.58 0.06 0.55 0.16 0.37 0.00 0.00 175.52 177.24 3bpd h ILE 20 N 0.32 1.04 0.04 3.11 3.07 -1.99 -1.29 117.51 121.81 3bpd h ILE 20 Ca 0.57 -0.31 -0.00 0.00 1.55 0.00 0.00 64.86 66.66 3bpd h ILE 20 Cb 1.12 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.71 3bpd h ILE 20 CO -0.58 0.17 -0.02 0.58 -1.05 0.00 0.00 178.15 177.25 3bpd h VAL 21 N 0.92 1.02 -0.55 0.16 2.07 -1.42 0.36 116.25 118.80 3bpd h VAL 21 Ca 0.36 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.76 3bpd h VAL 21 Cb 0.24 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3bpd h VAL 21 CO -0.13 0.05 0.18 -0.26 0.02 0.00 0.00 177.57 177.43 3bpd h PHE 22 N -0.14 0.32 -0.13 1.57 -1.00 -1.36 0.11 116.94 116.31 3bpd h PHE 22 Ca -0.01 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.82 3bpd h PHE 22 Cb 0.13 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3bpd h PHE 22 CO -0.05 0.07 0.00 0.00 -1.61 0.00 0.00 178.31 176.73 3bpd h ALA 23 N 1.39 0.11 0.53 2.45 0.00 -0.81 -1.74 119.26 121.19 3bpd h ALA 23 Ca 0.28 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3bpd h ALA 23 Cb 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3bpd h ALA 23 CO -0.30 -0.45 -0.49 1.25 0.00 0.00 0.00 179.25 179.27 3bpd h LEU 24 N 0.05 -1.32 -0.16 0.00 6.46 0.76 -2.24 115.31 118.85 3bpd h LEU 24 Ca 0.06 0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 3bpd h LEU 24 Cb 0.07 0.43 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 3bpd h LEU 24 CO -0.10 -0.66 -0.21 0.11 -0.62 0.00 0.00 178.44 176.97 3bpd h LYS 25 N -1.00 -0.24 -0.71 1.25 1.79 -0.77 -2.62 116.57 114.28 3bpd h LYS 25 Ca -0.07 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3bpd h LYS 25 Cb 0.86 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 3bpd h LYS 25 CO -0.04 -0.16 0.44 -0.07 -1.08 0.00 0.00 179.45 178.55 3bpd h LEU 26 N -0.24 0.83 0.00 2.94 3.38 -1.32 -1.35 115.31 119.54 3bpd h LEU 26 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bpd h LEU 26 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3bpd h LEU 26 CO -0.31 0.63 0.00 -1.54 0.09 0.00 0.00 178.44 177.31 3bpd n SER 27 N -4.41 0.00 -0.08 -0.43 3.41 -0.85 -2.26 113.62 109.00 3bpd n SER 27 Ca 0.07 -0.88 0.06 0.00 -0.26 0.00 0.00 58.87 57.86 3bpd n SER 27 Cb 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 3bpd n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bpd n GLU 28 N -0.84 2.72 -0.82 4.33 1.02 -0.51 -4.84 120.64 121.70 3bpd n GLU 28 Ca 0.11 -0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 56.75 3bpd n GLU 28 Cb 0.05 -1.09 0.15 0.00 -0.02 0.00 0.00 31.44 30.53 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 -2.35 2.90 0.10 -4.62 1.43 -0.96 -4.89 118.68 110.28 3bpd s LEU 29 Ca 0.06 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 54.99 3bpd s LEU 29 Cb 0.09 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 3bpd s LEU 29 CO 0.44 -2.89 1.73 -0.70 0.23 0.00 0.00 176.35 175.16 3bpd s GLU 30 N -4.67 4.17 -0.36 1.70 2.56 -1.26 -2.90 118.70 117.94 3bpd s GLU 30 Ca 0.66 2.45 0.00 0.00 0.00 0.00 0.00 54.97 58.08 3bpd s GLU 30 Cb -0.22 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.35 3bpd s GLU 30 CO 0.57 -0.78 0.00 0.09 -0.56 0.00 0.00 175.26 174.59 3bpd n ASN 31 N 5.52 -2.37 -4.29 -1.70 3.02 -1.26 -4.81 115.26 109.37 3bpd n ASN 31 Ca 0.17 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 3bpd n ASN 31 Cb 0.39 -1.32 -0.10 0.00 -0.61 0.00 0.00 39.78 38.15 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 -2.18 4.37 0.36 2.41 1.01 -1.14 -2.28 120.40 122.95 3bpd s VAL 32 Ca 0.00 -1.35 0.19 0.00 0.00 0.00 0.00 61.98 60.82 3bpd s VAL 32 Cb 0.00 -3.66 0.18 0.00 0.00 0.00 0.00 36.38 32.89 3bpd s VAL 32 CO 0.00 -0.52 1.91 0.44 0.00 0.00 0.00 175.10 176.94 3bpd h ASP 33 N 8.45 0.00 0.00 3.32 3.32 -1.26 -3.46 116.42 126.79 3bpd h ASP 33 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3bpd h ASP 33 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3bpd h ASP 33 CO 0.77 0.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.17 3bpd n GLY 34 N -0.50 0.75 2.84 2.75 0.00 -0.98 -5.02 105.19 105.03 3bpd n GLY 34 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 3bpd n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bpd s VAL 35 N -2.00 -0.03 -0.17 1.61 1.01 -1.26 -1.51 120.40 118.05 3bpd s VAL 35 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3bpd s VAL 35 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.33 3bpd s VAL 35 CO 0.00 0.04 -0.17 0.21 0.00 0.00 0.00 175.10 175.18 3bpd s ASN 36 N 0.54 3.40 -0.28 3.32 3.84 0.18 -4.95 114.94 120.99 3bpd s ASN 36 Ca -0.04 -0.57 -0.03 0.00 0.21 0.00 0.00 52.86 52.43 3bpd s ASN 36 Cb -0.06 -1.53 0.03 0.00 -0.55 0.00 0.00 41.25 39.14 3bpd s ASN 36 CO -0.02 0.03 -0.00 -0.63 -2.79 0.00 0.00 177.10 173.69 3bpd s ILE 37 N 1.14 3.18 -0.20 -5.21 1.01 -1.26 0.40 121.20 120.26 3bpd s ILE 37 Ca 0.01 -1.09 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 3bpd s ILE 37 Cb -0.14 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3bpd s ILE 37 CO -0.07 0.05 0.08 -2.28 0.00 0.00 0.00 174.94 172.72 3bpd s HIS 38 N 1.34 3.27 -0.10 3.97 5.65 0.03 -4.94 115.29 124.50 3bpd s HIS 38 Ca -0.01 0.09 -0.28 0.00 0.25 0.00 0.00 55.06 55.11 3bpd s HIS 38 Cb -0.18 -2.12 -0.02 0.00 -1.18 0.00 0.00 32.58 29.08 3bpd s HIS 38 CO -0.02 0.13 0.92 -1.17 -0.65 0.00 0.00 174.74 173.95 3bpd s LEU 39 N 0.53 4.25 -0.24 8.88 2.96 -1.26 -0.58 118.68 133.23 3bpd s LEU 39 Ca 0.04 1.41 -0.15 0.00 -0.22 0.00 0.00 54.13 55.22 3bpd s LEU 39 Cb -0.13 -3.41 -0.16 0.00 0.50 0.00 0.00 46.19 42.99 3bpd s LEU 39 CO 0.01 -0.37 -0.09 -1.20 -1.32 0.00 0.00 176.35 173.38 3bpd n SER 40 N 4.75 1.94 -3.49 3.68 7.64 0.42 -4.95 113.62 123.61 3bpd n SER 40 Ca 0.06 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.13 3bpd n SER 40 Cb 0.49 -0.84 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 3bpd n SER 40 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3bpd s GLU 41 N -2.46 1.01 -0.08 1.43 2.12 -1.13 -4.99 118.70 114.59 3bpd s GLU 41 Ca -0.34 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 54.92 3bpd s GLU 41 Cb 0.11 0.47 -0.00 0.00 0.26 0.00 0.00 34.13 34.96 3bpd s GLU 41 CO 0.55 -0.39 -0.21 0.42 -0.54 0.00 0.00 175.26 175.09 3bpd s ILE 42 N -2.42 1.82 0.07 -3.70 1.01 -1.26 -0.75 121.20 115.95 3bpd s ILE 42 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3bpd s ILE 42 Cb -0.01 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3bpd s ILE 42 CO -0.03 0.51 0.02 0.47 0.00 0.00 0.00 174.94 175.91 3bpd n ASP 43 N 3.37 1.71 -0.36 3.58 10.43 0.12 -4.99 116.55 130.41 3bpd n ASP 43 Ca -0.19 -1.26 0.02 0.00 2.57 0.00 0.00 54.79 55.93 3bpd n ASP 43 Cb 0.53 0.02 0.17 0.00 1.84 0.00 0.00 41.12 43.68 3bpd n ASP 43 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 3bpd h GLN 44 N 0.00 1.13 0.00 -1.24 4.20 -2.03 -3.32 115.11 113.85 3bpd h GLN 44 Ca -0.05 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3bpd h GLN 44 Cb 0.16 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3bpd h GLN 44 CO 0.08 0.75 0.00 0.00 -0.67 0.00 0.00 178.83 178.98 3bpd n ALA 45 N -2.36 1.15 -3.22 3.87 0.00 -1.26 -5.05 120.51 113.62 3bpd n ALA 45 Ca 0.15 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 3bpd n ALA 45 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 3bpd n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3bpd s THR 46 N -0.18 0.03 0.15 0.00 -4.23 -1.25 -3.49 115.64 106.68 3bpd s THR 46 Ca 0.00 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 3bpd s THR 46 Cb 0.00 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 3bpd s THR 46 CO 0.00 -0.15 -0.07 -1.83 -0.54 0.00 0.00 174.62 172.03 3bpd s GLU 47 N -3.77 1.05 -0.17 3.99 -1.05 0.31 0.14 118.70 119.20 3bpd s GLU 47 Ca 0.02 -1.46 -0.01 0.00 -0.15 0.00 0.00 54.97 53.37 3bpd s GLU 47 Cb 0.00 -0.51 -0.00 0.00 -0.44 0.00 0.00 34.13 33.18 3bpd s GLU 47 CO -0.13 0.02 -0.12 -0.80 0.95 0.00 0.00 175.26 175.18 3bpd s ASN 48 N -3.16 3.86 0.23 0.83 -0.87 0.07 -1.93 114.94 113.96 3bpd s ASN 48 Ca 0.18 -0.44 0.11 0.00 -1.57 0.00 0.00 52.86 51.14 3bpd s ASN 48 Cb 0.04 -1.61 -0.05 0.00 -0.02 0.00 0.00 41.25 39.61 3bpd s ASN 48 CO 0.01 0.06 -0.21 0.27 -2.57 0.00 0.00 177.10 174.66 3bpd s ILE 49 N 0.97 2.30 -0.33 0.60 -4.36 0.48 -0.43 121.20 120.44 3bpd s ILE 49 Ca -0.02 -2.19 -0.03 0.00 -0.26 0.00 0.00 60.65 58.15 3bpd s ILE 49 Cb -0.15 -2.16 0.06 0.00 1.25 0.00 0.00 42.46 41.46 3bpd s ILE 49 CO -0.02 -0.29 0.06 -0.75 0.24 0.00 0.00 174.94 174.17 3bpd s LYS 50 N -3.11 2.39 -0.27 0.37 2.47 0.25 -0.52 119.74 121.32 3bpd s LYS 50 Ca 0.24 -1.35 -0.11 0.00 -1.56 0.00 0.00 55.97 53.20 3bpd s LYS 50 Cb -0.06 -3.30 -0.05 0.00 -1.46 0.00 0.00 37.83 32.96 3bpd s LYS 50 CO 0.11 -0.71 0.18 0.42 0.16 0.00 0.00 175.35 175.51 3bpd s ILE 51 N 1.26 5.27 -0.25 5.43 1.01 -0.01 -0.79 121.20 133.12 3bpd s ILE 51 Ca -0.02 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.73 3bpd s ILE 51 Cb -0.20 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 3bpd s ILE 51 CO -0.01 0.28 0.03 -0.89 0.00 0.00 0.00 174.94 174.35 3bpd s THR 52 N 1.58 3.85 -0.16 2.92 2.01 0.16 -0.07 115.64 125.93 3bpd s THR 52 Ca 0.07 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 3bpd s THR 52 Cb -0.15 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 3bpd s THR 52 CO 0.09 0.31 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 3bpd s ILE 53 N 1.53 2.75 -0.09 1.82 1.01 0.66 0.51 121.20 129.39 3bpd s ILE 53 Ca 0.05 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3bpd s ILE 53 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3bpd s ILE 53 CO 0.01 0.51 -0.15 -0.22 0.00 0.00 0.00 174.94 175.08 3bpd s LEU 54 N 0.89 2.61 0.00 2.97 2.96 -0.57 -0.44 118.68 127.10 3bpd s LEU 54 Ca -0.04 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3bpd s LEU 54 Cb -0.15 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3bpd s LEU 54 CO -0.01 0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 3bpd n GLY 55 N 3.08 1.24 3.45 7.98 0.00 0.11 -0.71 105.19 120.34 3bpd n GLY 55 Ca -0.18 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.65 -1.60 1.61 3.84 -0.96 -4.65 114.94 114.53 3bpd s ASN 56 Ca 0.00 1.16 -0.16 0.00 0.21 0.00 0.00 52.86 54.07 3bpd s ASN 56 Cb 0.00 1.11 0.13 0.00 -0.55 0.00 0.00 41.25 41.93 3bpd s ASN 56 CO 0.00 -0.20 0.82 0.59 -2.79 0.00 0.00 177.10 175.52 3bpd n ASN 57 N 3.48 -3.92 -4.74 -4.21 3.02 -0.15 -4.78 115.26 103.97 3bpd n ASN 57 Ca -0.17 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.10 3bpd n ASN 57 Cb 0.57 -3.18 -0.01 0.00 -0.61 0.00 0.00 39.78 36.55 3bpd n ASN 57 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3bpd n LEU 58 N -4.41 4.28 -4.46 3.41 4.77 -0.66 -4.84 117.00 115.09 3bpd n LEU 58 Ca 0.06 1.17 -0.43 0.00 -0.03 0.00 0.00 56.01 56.78 3bpd n LEU 58 Cb 0.51 -1.58 -0.08 0.00 -2.33 0.00 0.00 43.42 39.94 3bpd n LEU 58 CO 0.78 0.04 0.17 -0.62 -1.33 0.00 0.00 177.39 176.43 3bpd s ASP 59 N 0.23 6.20 0.07 -1.43 3.68 -1.26 -4.51 116.67 119.65 3bpd s ASP 59 Ca 0.61 -0.80 -0.31 0.00 2.13 0.00 0.00 52.55 54.18 3bpd s ASP 59 Cb -0.51 -2.24 -0.18 0.00 -1.45 0.00 0.00 42.92 38.54 3bpd s ASP 59 CO 0.54 -0.68 1.63 0.22 0.13 0.00 0.00 175.17 177.02 3bpd h TYR 60 N 8.81 -0.66 -1.00 -5.34 3.20 -1.99 -1.13 116.97 118.85 3bpd h TYR 60 Ca -0.27 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 61.77 3bpd h TYR 60 Cb 1.11 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 39.49 3bpd h TYR 60 CO 0.66 -0.41 0.62 0.93 -1.64 0.00 0.00 178.16 178.32 3bpd h GLU 61 N -0.73 0.74 0.26 1.82 4.39 -1.98 0.78 114.58 119.86 3bpd h GLU 61 Ca -0.07 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3bpd h GLU 61 Cb 0.55 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3bpd h GLU 61 CO 0.12 0.49 -0.12 0.37 -1.16 0.00 0.00 179.01 178.71 3bpd h GLN 62 N 0.77 -0.33 -0.39 2.33 4.15 -1.89 0.11 115.11 119.85 3bpd h GLN 62 Ca 0.56 0.02 0.01 0.00 0.77 0.00 0.00 58.65 60.02 3bpd h GLN 62 Cb 0.88 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 3bpd h GLN 62 CO -0.36 -0.15 0.24 0.82 -1.93 0.00 0.00 178.83 177.45 3bpd h ILE 63 N -0.44 1.07 -1.01 2.39 2.04 0.28 -2.19 117.51 119.65 3bpd h ILE 63 Ca -0.04 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.70 3bpd h ILE 63 Cb 0.33 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3bpd h ILE 63 CO 0.06 0.09 0.66 0.50 0.00 0.00 0.00 178.15 179.45 3bpd h LYS 64 N 0.49 1.20 -0.12 2.37 3.64 0.63 -2.07 116.57 122.71 3bpd h LYS 64 Ca 0.15 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3bpd h LYS 64 Cb -0.03 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3bpd h LYS 64 CO -0.05 0.79 0.07 0.78 -2.27 0.00 0.00 179.45 178.78 3bpd h GLY 65 N 1.24 0.17 0.52 5.01 0.00 -0.37 0.16 103.07 109.81 3bpd h GLY 65 Ca 0.41 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.70 3bpd h GLY 65 CO -0.14 0.07 -0.20 -2.08 0.00 0.00 0.00 176.54 174.19 3bpd h VAL 66 N 0.11 0.53 -0.05 4.60 2.07 -1.14 0.60 116.25 122.98 3bpd h VAL 66 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3bpd h VAL 66 Cb 0.05 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3bpd h VAL 66 CO -0.01 0.00 -0.36 0.40 0.02 0.00 0.00 177.57 177.62 3bpd h ILE 67 N -0.31 0.00 -0.13 4.57 1.08 -1.16 -2.25 117.51 119.32 3bpd h ILE 67 Ca 0.06 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 3bpd h ILE 67 Cb 0.39 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 3bpd h ILE 67 CO -0.19 0.00 0.09 -0.33 -0.69 0.00 0.00 178.15 177.04 3bpd h GLU 68 N -0.42 0.00 -2.09 2.37 5.08 -0.32 -2.66 114.58 116.54 3bpd h GLU 68 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3bpd h GLU 68 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3bpd h GLU 68 CO -0.27 0.00 -0.03 -0.25 -1.00 0.00 0.00 179.01 177.46 3bpd n ASP 69 N -4.41 3.55 0.00 1.42 8.00 0.21 -4.17 116.55 121.15 3bpd n ASP 69 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3bpd n ASP 69 Cb 0.22 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 3bpd n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bpd n GLY 71 N 1.94 0.12 3.93 0.44 0.00 -1.21 -5.08 105.19 105.33 3bpd n GLY 71 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.31 1.49 -0.01 -0.02 0.00 -1.00 -4.45 107.32 103.01 3bpd s GLY 72 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.97 3bpd s GLY 72 CO 0.00 -0.60 -0.04 0.14 0.00 0.00 0.00 173.10 172.60 3bpd s VAL 73 N -2.63 0.35 -0.43 1.40 1.01 -0.12 -3.59 120.40 116.38 3bpd s VAL 73 Ca 0.47 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 3bpd s VAL 73 Cb -0.10 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3bpd s VAL 73 CO 0.41 0.11 0.86 -0.63 0.00 0.00 0.00 175.10 175.85 3bpd s ILE 74 N 0.04 4.58 0.13 2.22 1.01 -1.26 -1.10 121.20 126.81 3bpd s ILE 74 Ca 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 3bpd s ILE 74 Cb -0.03 -4.35 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 3bpd s ILE 74 CO -0.00 -0.70 1.30 0.45 0.00 0.00 0.00 174.94 175.99 3bpd h HIS 75 N 8.88 0.46 -1.55 3.97 3.86 -1.21 -3.48 115.15 126.09 3bpd h HIS 75 Ca -0.24 -0.27 0.18 0.00 -1.16 0.00 0.00 60.37 58.87 3bpd h HIS 75 Cb 1.08 -0.05 -0.21 0.00 1.06 0.00 0.00 27.41 29.29 3bpd h HIS 75 CO 0.83 1.11 0.71 -1.54 0.86 0.00 0.00 177.93 179.89 3bpd s SER 76 N -7.03 -0.23 -0.47 2.45 1.04 -1.17 -5.01 113.70 103.29 3bpd s SER 76 Ca -0.04 0.13 -0.19 0.00 0.48 0.00 0.00 55.95 56.33 3bpd s SER 76 Cb 0.09 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3bpd s SER 76 CO 0.85 -0.29 0.58 -0.69 0.98 0.00 0.00 173.24 174.67 3bpd s VAL 77 N -1.87 4.93 -0.11 5.02 1.01 -1.26 -1.06 120.40 127.06 3bpd s VAL 77 Ca 0.05 -0.31 0.15 0.00 0.00 0.00 0.00 61.98 61.87 3bpd s VAL 77 Cb -0.01 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3bpd s VAL 77 CO -0.04 -0.65 1.15 0.44 0.00 0.00 0.00 175.10 176.00 3bpd h ASP 78 N 8.89 0.00 -4.07 3.32 3.32 -1.28 -3.47 116.42 123.13 3bpd h ASP 78 Ca -0.27 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 3bpd h ASP 78 Cb 1.10 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.42 3bpd h ASP 78 CO 0.90 0.59 -0.14 -0.70 -1.72 0.00 0.00 179.24 178.17 3bpd s GLU 79 N -2.91 0.60 -0.06 3.56 2.12 -1.19 -4.98 118.70 115.84 3bpd s GLU 79 Ca 0.01 0.57 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 3bpd s GLU 79 Cb 0.08 0.29 0.03 0.00 0.26 0.00 0.00 34.13 34.79 3bpd s GLU 79 CO 0.78 -0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 175.47 3bpd s VAL 80 N 0.03 0.43 -0.16 3.70 1.01 -1.26 -1.50 120.40 122.64 3bpd s VAL 80 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3bpd s VAL 80 Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 3bpd s VAL 80 CO 0.02 0.23 -0.11 -0.69 0.00 0.00 0.00 175.10 174.55 3bpd s VAL 81 N 1.41 3.05 0.05 2.92 1.01 0.18 -4.98 120.40 124.04 3bpd s VAL 81 Ca -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3bpd s VAL 81 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3bpd s VAL 81 CO -0.03 0.49 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 3bpd s ALA 82 N 0.81 0.67 0.00 5.51 0.00 -1.26 0.10 121.76 127.59 3bpd s ALA 82 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3bpd s ALA 82 Cb -0.15 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3bpd s ALA 82 CO 0.01 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3bpd n GLY 83 N 1.18 0.50 0.12 0.00 0.00 -0.25 -4.82 105.19 101.92 3bpd n GLY 83 Ca -0.21 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.35 3bpd n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bpd h LYS 84 N 0.00 0.27 -6.38 1.61 1.57 -1.88 -3.35 116.57 108.41 3bpd h LYS 84 Ca 0.00 -0.45 -0.62 0.00 -1.87 0.00 0.00 60.65 57.71 3bpd h LYS 84 Cb 0.00 0.17 -0.12 0.00 0.08 0.00 0.00 32.23 32.36 3bpd h LYS 84 CO 0.00 1.22 -0.68 0.96 -0.57 0.00 0.00 179.45 180.38 3bpd s ILE 85 N -2.48 3.64 -0.77 1.86 -4.36 -1.26 -4.87 121.20 112.97 3bpd s ILE 85 Ca -0.19 -1.39 -0.23 0.00 -0.26 0.00 0.00 60.65 58.58 3bpd s ILE 85 Cb 0.04 -2.81 0.07 0.00 1.25 0.00 0.00 42.46 41.01 3bpd s ILE 85 CO 0.78 -0.06 1.13 -0.63 0.24 0.00 0.00 174.94 176.40 3bpd s ILE 86 N -1.63 4.19 -0.22 8.37 1.01 -1.26 -4.83 121.20 126.83 3bpd s ILE 86 Ca 0.26 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.28 3bpd s ILE 86 Cb -0.10 -4.80 -0.02 0.00 0.01 0.00 0.00 42.46 37.55 3bpd s ILE 86 CO 0.18 -1.62 0.71 -0.69 0.00 0.00 0.00 174.94 173.52 3bpd s VAL 87 N 4.37 4.94 0.61 2.92 1.01 -1.26 -5.06 120.40 127.93 3bpd s VAL 87 Ca 0.30 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 3bpd s VAL 87 Cb -0.11 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3bpd s VAL 87 CO 0.06 0.02 1.03 -1.61 0.00 0.00 0.00 175.10 174.60 3bpd s GLU 88 N 2.38 3.58 0.00 2.72 0.41 -1.26 -4.96 118.70 121.58 3bpd s GLU 88 Ca 0.31 0.82 -0.30 0.00 -0.41 0.00 0.00 54.97 55.38 3bpd s GLU 88 Cb -0.16 -2.08 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 3bpd s GLU 88 CO 0.09 -0.58 1.25 0.45 -0.49 0.00 0.00 175.26 175.98 3bpd s SER 89 N -3.92 7.00 0.00 -0.19 0.15 -1.26 -5.23 113.70 110.25 3bpd s SER 89 Ca 0.56 1.97 0.31 0.00 0.70 0.00 0.00 55.95 59.50 3bpd s SER 89 Cb -0.11 -2.57 1.80 0.00 -1.71 0.00 0.00 66.02 63.43 3bpd s SER 89 CO 0.50 -0.58 2.17 0.52 1.20 0.00 0.00 173.24 177.05