#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpd s LYS 2 N 0.00 1.55 0.99 3.23 -2.85 -1.26 -3.96 119.74 117.44 3bpd s LYS 2 Ca 0.00 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.33 3bpd s LYS 2 Cb 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 3bpd s LYS 2 CO 0.00 -0.59 0.00 0.41 0.10 0.00 0.00 175.35 175.27 3bpd n GLY 3 N -0.43 -1.96 3.63 0.59 0.00 -1.26 -3.23 105.19 102.54 3bpd n GLY 3 Ca 0.02 -1.38 -0.57 0.00 0.00 0.00 0.00 46.02 44.09 3bpd n GLY 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bpd n LEU 4 N 0.00 1.57 -0.04 0.99 4.77 -1.26 -2.12 117.00 120.90 3bpd n LEU 4 Ca 0.00 1.12 -0.05 0.00 -0.03 0.00 0.00 56.01 57.05 3bpd n LEU 4 Cb 0.02 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 3bpd n LEU 4 CO 0.00 -0.96 -0.77 0.54 -1.33 0.00 0.00 177.39 174.87 3bpd n ARG 5 N 3.44 0.96 -3.74 3.23 5.12 0.45 -1.24 116.66 124.88 3bpd n ARG 5 Ca 0.23 0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 56.06 3bpd n ARG 5 Cb 0.12 -1.17 -0.11 0.00 -1.16 0.00 0.00 32.46 30.14 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 -2.17 0.41 0.01 5.56 3.52 -0.82 -1.03 118.95 124.43 3bpd s ARG 6 Ca -0.09 0.55 0.05 0.00 -0.13 0.00 0.00 55.73 56.11 3bpd s ARG 6 Cb 0.03 0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 3bpd s ARG 6 CO 0.22 -0.07 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.96 3bpd s LEU 7 N 0.44 2.08 -0.29 -0.88 1.43 -0.05 -0.91 118.68 120.51 3bpd s LEU 7 Ca -0.02 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3bpd s LEU 7 Cb -0.04 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.44 3bpd s LEU 7 CO -0.02 0.16 -0.05 -0.69 0.23 0.00 0.00 176.35 175.98 3bpd s VAL 8 N -0.53 2.12 -0.17 -1.59 1.01 -0.78 -0.04 120.40 120.42 3bpd s VAL 8 Ca 0.06 -1.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.13 3bpd s VAL 8 Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3bpd s VAL 8 CO 0.00 -0.24 0.08 -0.76 0.00 0.00 0.00 175.10 174.18 3bpd s LEU 9 N 1.07 3.94 -0.39 3.92 1.43 0.14 -1.77 118.68 127.02 3bpd s LEU 9 Ca -0.02 0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 3bpd s LEU 9 Cb -0.20 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3bpd s LEU 9 CO -0.07 0.22 0.66 -0.62 0.23 0.00 0.00 176.35 176.78 3bpd s ASP 10 N 0.08 6.40 -0.04 2.29 3.68 -0.37 -0.31 116.67 128.40 3bpd s ASP 10 Ca 0.06 -0.01 0.05 0.00 2.13 0.00 0.00 52.55 54.78 3bpd s ASP 10 Cb -0.12 -2.33 -0.01 0.00 -1.45 0.00 0.00 42.92 39.01 3bpd s ASP 10 CO 0.00 -0.69 -0.20 -0.69 0.13 0.00 0.00 175.17 173.73 3bpd s VAL 11 N 2.82 1.62 -0.11 1.11 1.01 0.06 -0.77 120.40 126.15 3bpd s VAL 11 Ca 0.25 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3bpd s VAL 11 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3bpd s VAL 11 CO 0.17 0.46 -0.01 -0.22 0.00 0.00 0.00 175.10 175.50 3bpd s LEU 12 N -0.11 3.50 -0.02 3.92 2.96 -0.73 -0.87 118.68 127.32 3bpd s LEU 12 Ca -0.01 0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 3bpd s LEU 12 Cb -0.11 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.80 3bpd s LEU 12 CO 0.02 0.32 0.43 -1.59 -1.32 0.00 0.00 176.35 174.20 3bpd s LYS 13 N -0.51 0.80 0.60 1.98 -2.85 0.11 -1.15 119.74 118.72 3bpd s LYS 13 Ca 0.09 -0.07 -0.16 0.00 -1.00 0.00 0.00 55.97 54.83 3bpd s LYS 13 Cb -0.12 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 3bpd s LYS 13 CO 0.02 -0.24 1.07 -1.25 0.10 0.00 0.00 175.35 175.06 3bpd s PRO 14 N -1.36 3.22 0.34 1.78 0.04 -1.26 -0.58 135.00 137.17 3bpd s PRO 14 Ca -0.12 1.26 0.12 0.00 0.04 0.00 0.00 61.00 62.30 3bpd s PRO 14 Cb -0.03 -2.02 1.05 0.00 0.04 0.00 0.00 34.50 33.54 3bpd s PRO 14 CO 0.06 -0.90 1.61 0.45 0.04 0.00 0.00 177.00 178.25 3bpd h HIS 15 N 0.40 0.56 -3.26 0.56 3.86 -1.83 -3.39 115.15 112.05 3bpd h HIS 15 Ca -0.47 0.05 -0.67 0.00 -1.16 0.00 0.00 60.37 58.11 3bpd h HIS 15 Cb 1.23 -0.08 -0.15 0.00 1.06 0.00 0.00 27.41 29.47 3bpd h HIS 15 CO 0.57 -0.36 -0.61 -1.21 0.86 0.00 0.00 177.93 177.18 3bpd s GLU 16 N -5.73 3.09 1.00 2.45 0.41 -1.26 -3.82 118.70 114.83 3bpd s GLU 16 Ca -0.11 -0.39 -0.15 0.00 -0.41 0.00 0.00 54.97 53.92 3bpd s GLU 16 Cb 0.31 -2.85 0.19 0.00 -1.78 0.00 0.00 34.13 30.00 3bpd s GLU 16 CO 0.78 0.67 1.17 -1.25 -0.49 0.00 0.00 175.26 176.14 3bpd s PRO 17 N -0.79 0.39 0.58 0.39 0.04 -1.26 -4.94 135.00 129.41 3bpd s PRO 17 Ca 0.12 0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.05 3bpd s PRO 17 Cb -0.12 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3bpd s PRO 17 CO 0.02 -2.66 1.05 0.15 0.04 0.00 0.00 177.00 175.61 3bpd s LYS 18 N -5.44 3.39 0.55 4.56 -0.14 -1.25 -4.92 119.74 116.49 3bpd s LYS 18 Ca 0.68 1.20 0.24 0.00 -1.36 0.00 0.00 55.97 56.72 3bpd s LYS 18 Cb -0.11 -2.04 1.44 0.00 -1.68 0.00 0.00 37.83 35.43 3bpd s LYS 18 CO 0.54 -0.75 2.07 1.79 -0.76 0.00 0.00 175.35 178.24 3bpd h THR 19 N 0.54 0.73 -0.84 2.17 1.35 -1.96 0.13 112.91 115.03 3bpd h THR 19 Ca -0.47 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.46 3bpd h THR 19 Cb 1.22 0.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.41 3bpd h THR 19 CO 0.58 0.00 0.51 0.40 -0.25 0.00 0.00 175.52 176.76 3bpd h ILE 20 N 0.00 1.01 -0.42 6.82 5.03 -2.00 0.17 117.51 128.12 3bpd h ILE 20 Ca 0.13 -0.31 -0.09 0.00 -0.12 0.00 0.00 64.86 64.47 3bpd h ILE 20 Cb 0.57 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.36 3bpd h ILE 20 CO -0.00 0.17 -0.08 0.58 -0.68 0.00 0.00 178.15 178.14 3bpd h VAL 21 N 0.92 1.27 -0.26 1.67 2.07 -1.33 -2.57 116.25 118.01 3bpd h VAL 21 Ca 0.37 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3bpd h VAL 21 Cb 0.21 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3bpd h VAL 21 CO -0.19 0.40 0.15 -0.26 0.02 0.00 0.00 177.57 177.69 3bpd h PHE 22 N 0.63 0.28 0.13 1.57 -1.00 -1.12 -2.48 116.94 114.94 3bpd h PHE 22 Ca 0.11 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.91 3bpd h PHE 22 Cb 0.60 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 3bpd h PHE 22 CO 0.05 0.17 -0.22 0.00 -1.61 0.00 0.00 178.31 176.70 3bpd h ALA 23 N 1.11 -0.37 -0.47 2.45 0.00 -0.95 -2.38 119.26 118.64 3bpd h ALA 23 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3bpd h ALA 23 Cb -0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3bpd h ALA 23 CO -0.05 -0.75 0.00 1.28 0.00 0.00 0.00 179.25 179.73 3bpd n LEU 24 N -5.34 0.00 -0.35 0.00 4.77 -0.98 -0.20 117.00 114.91 3bpd n LEU 24 Ca -0.07 0.92 0.02 0.00 -0.03 0.00 0.00 56.01 56.85 3bpd n LEU 24 Cb 0.25 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3bpd n LEU 24 CO 0.27 -0.42 0.63 0.11 -1.33 0.00 0.00 177.39 176.65 3bpd h LYS 25 N 0.00 -0.01 -0.86 3.23 6.56 -1.47 0.60 116.57 124.62 3bpd h LYS 25 Ca 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3bpd h LYS 25 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 3bpd h LYS 25 CO 0.00 -0.01 0.57 -0.07 -2.06 0.00 0.00 179.45 177.88 3bpd h LEU 26 N -0.01 0.98 -1.44 2.94 3.38 -1.04 -1.69 115.31 118.42 3bpd h LEU 26 Ca 0.39 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 3bpd h LEU 26 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3bpd h LEU 26 CO -0.96 0.70 -0.19 0.77 0.09 0.00 0.00 178.44 178.86 3bpd h SER 27 N 1.15 0.00 -0.36 -0.43 4.64 0.35 -3.16 113.55 115.74 3bpd h SER 27 Ca 0.32 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.55 3bpd h SER 27 Cb -0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 3bpd h SER 27 CO -0.07 0.19 0.11 -0.62 -0.87 0.00 0.00 176.83 175.56 3bpd n GLU 28 N -3.48 2.49 -4.26 4.77 1.02 -0.36 -4.85 120.64 115.97 3bpd n GLU 28 Ca -0.01 -1.53 -0.35 0.00 -0.02 0.00 0.00 57.16 55.25 3bpd n GLU 28 Cb 0.35 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.45 3.74 0.94 -4.62 1.43 -1.20 -5.06 118.68 112.46 3bpd s LEU 29 Ca 0.27 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 3bpd s LEU 29 Cb 0.22 -1.91 0.15 0.00 0.03 0.00 0.00 46.19 44.68 3bpd s LEU 29 CO 0.07 0.37 1.09 -0.62 0.23 0.00 0.00 176.35 177.49 3bpd n GLU 30 N 2.00 -0.56 -0.32 1.70 -0.58 -1.26 -2.15 120.64 119.47 3bpd n GLU 30 Ca -0.18 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 3bpd n GLU 30 Cb 0.54 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.08 3bpd n GLU 30 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3bpd n ASN 31 N -4.08 0.00 -4.36 1.62 3.02 -1.26 -4.96 115.26 105.23 3bpd n ASN 31 Ca 0.11 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 3bpd n ASN 31 Cb 0.52 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.66 4.33 0.08 2.41 1.01 -0.91 -1.19 120.40 123.47 3bpd s VAL 32 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 3bpd s VAL 32 Cb 0.00 -3.35 -0.27 0.00 0.00 0.00 0.00 36.38 32.76 3bpd s VAL 32 CO 0.00 -0.11 1.17 0.44 0.00 0.00 0.00 175.10 176.60 3bpd h ASP 33 N 8.34 0.42 -4.48 3.32 3.32 -1.20 -3.45 116.42 122.69 3bpd h ASP 33 Ca -0.27 -0.44 0.18 0.00 0.02 0.00 0.00 57.03 56.52 3bpd h ASP 33 Cb 1.11 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 3bpd h ASP 33 CO 0.63 1.33 0.65 -0.83 -1.72 0.00 0.00 179.24 179.30 3bpd s GLY 34 N -4.63 -0.38 -0.01 2.75 0.00 -1.05 -5.05 107.32 98.95 3bpd s GLY 34 Ca -0.04 1.27 0.01 0.00 0.00 0.00 0.00 44.72 45.97 3bpd s GLY 34 CO 0.88 0.42 -0.05 0.14 0.00 0.00 0.00 173.10 174.49 3bpd s VAL 35 N -2.77 0.42 -0.14 1.40 1.01 -1.26 -1.96 120.40 117.10 3bpd s VAL 35 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3bpd s VAL 35 Cb -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3bpd s VAL 35 CO -0.07 0.14 -0.19 0.21 0.00 0.00 0.00 175.10 175.20 3bpd s ASN 36 N 0.19 3.41 -0.27 3.32 3.84 0.45 -4.97 114.94 120.90 3bpd s ASN 36 Ca -0.02 -0.53 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 3bpd s ASN 36 Cb -0.06 -1.51 0.04 0.00 -0.55 0.00 0.00 41.25 39.17 3bpd s ASN 36 CO -0.00 0.09 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.72 3bpd s ILE 37 N 0.77 2.88 -0.24 -5.21 1.01 -1.26 0.58 121.20 119.73 3bpd s ILE 37 Ca -0.07 -1.18 -0.10 0.00 0.00 0.00 0.00 60.65 59.30 3bpd s ILE 37 Cb -0.16 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3bpd s ILE 37 CO -0.00 0.08 0.16 -2.28 0.00 0.00 0.00 174.94 172.90 3bpd s HIS 38 N 1.29 3.31 -0.39 3.97 5.65 0.96 -4.96 115.29 125.12 3bpd s HIS 38 Ca -0.02 0.21 -0.29 0.00 0.25 0.00 0.00 55.06 55.21 3bpd s HIS 38 Cb -0.18 -2.28 0.02 0.00 -1.18 0.00 0.00 32.58 28.97 3bpd s HIS 38 CO -0.03 0.05 1.11 -1.17 -0.65 0.00 0.00 174.74 174.04 3bpd s LEU 39 N 1.11 3.79 -0.12 8.88 2.96 -1.26 -0.90 118.68 133.14 3bpd s LEU 39 Ca 0.07 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.70 3bpd s LEU 39 Cb -0.14 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3bpd s LEU 39 CO 0.05 -1.06 -0.05 0.28 -1.32 0.00 0.00 176.35 174.24 3bpd h SER 40 N 8.65 0.00 -4.05 3.68 0.02 -1.68 -3.48 113.55 116.69 3bpd h SER 40 Ca -0.22 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 3bpd h SER 40 Cb 1.06 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.38 3bpd h SER 40 CO 1.08 0.67 -0.05 -0.70 -1.14 0.00 0.00 176.83 176.69 3bpd s GLU 41 N -1.92 0.68 -0.09 3.45 2.12 -0.99 -5.01 118.70 116.95 3bpd s GLU 41 Ca -0.08 0.71 -0.04 0.00 0.36 0.00 0.00 54.97 55.92 3bpd s GLU 41 Cb 0.01 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 3bpd s GLU 41 CO 0.14 -0.10 0.08 0.42 -0.54 0.00 0.00 175.26 175.26 3bpd s ILE 42 N 0.14 4.93 0.00 -3.70 1.01 -1.26 -0.09 121.20 122.24 3bpd s ILE 42 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3bpd s ILE 42 Cb -0.04 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3bpd s ILE 42 CO 0.01 0.57 0.00 0.47 0.00 0.00 0.00 174.94 176.00 3bpd n ASP 43 N 1.91 0.85 -4.71 3.58 10.43 0.69 -4.99 116.55 124.32 3bpd n ASP 43 Ca -0.18 -0.60 -0.42 0.00 2.57 0.00 0.00 54.79 56.15 3bpd n ASP 43 Cb 0.54 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.47 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 -0.81 4.48 0.00 -1.24 -0.21 -1.26 -3.66 119.66 116.97 3bpd s GLN 44 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 55.36 56.95 3bpd s GLN 44 Cb 0.00 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.58 3bpd s GLN 44 CO 0.00 -0.19 0.00 0.00 -2.12 0.00 0.00 175.29 172.98 3bpd n ALA 45 N 4.12 0.00 -2.28 6.09 0.00 -1.26 -4.82 120.51 122.35 3bpd n ALA 45 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 3bpd n ALA 45 Cb 0.49 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 3bpd n ALA 45 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3bpd s THR 46 N -0.57 1.24 -0.14 0.00 -1.32 -1.24 -3.14 115.64 110.48 3bpd s THR 46 Ca 0.00 -2.08 -0.10 0.00 -1.21 0.00 0.00 61.69 58.30 3bpd s THR 46 Cb 0.00 -1.98 0.04 0.00 -1.51 0.00 0.00 72.50 69.05 3bpd s THR 46 CO 0.00 -0.63 0.35 -0.70 -2.21 0.00 0.00 174.62 171.42 3bpd s GLU 47 N -3.75 0.36 -0.09 7.08 2.12 0.25 -0.22 118.70 124.44 3bpd s GLU 47 Ca 0.20 0.58 -0.02 0.00 0.36 0.00 0.00 54.97 56.09 3bpd s GLU 47 Cb 0.03 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 3bpd s GLU 47 CO 0.03 -0.10 -0.00 -0.80 -0.54 0.00 0.00 175.26 173.85 3bpd s ASN 48 N 0.74 5.20 0.06 -1.70 0.01 0.88 -0.71 114.94 119.41 3bpd s ASN 48 Ca -0.04 0.12 -0.16 0.00 -0.71 0.00 0.00 52.86 52.07 3bpd s ASN 48 Cb -0.06 -1.48 0.03 0.00 0.41 0.00 0.00 41.25 40.15 3bpd s ASN 48 CO -0.05 0.36 0.38 0.27 -1.51 0.00 0.00 177.10 176.55 3bpd s ILE 49 N -0.80 0.07 -0.16 0.60 -4.36 -0.05 -1.72 121.20 114.78 3bpd s ILE 49 Ca 0.12 -0.57 -0.03 0.00 -0.26 0.00 0.00 60.65 59.92 3bpd s ILE 49 Cb -0.11 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.56 3bpd s ILE 49 CO 0.02 -0.31 -0.07 -0.54 0.24 0.00 0.00 174.94 174.28 3bpd s LYS 50 N -2.86 3.54 -0.20 0.37 -0.14 -0.08 -0.76 119.74 119.62 3bpd s LYS 50 Ca -0.03 -0.59 -0.03 0.00 -1.36 0.00 0.00 55.97 53.97 3bpd s LYS 50 Cb 0.00 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 3bpd s LYS 50 CO -0.05 0.18 -0.07 0.42 -0.76 0.00 0.00 175.35 175.06 3bpd s ILE 51 N 0.50 3.22 -0.29 2.17 1.01 0.58 -0.02 121.20 128.36 3bpd s ILE 51 Ca -0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 3bpd s ILE 51 Cb -0.15 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3bpd s ILE 51 CO 0.03 0.46 0.11 -0.89 0.00 0.00 0.00 174.94 174.65 3bpd s THR 52 N 1.21 4.32 -0.18 2.92 2.01 0.20 0.25 115.64 126.36 3bpd s THR 52 Ca 0.02 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 3bpd s THR 52 Cb -0.14 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3bpd s THR 52 CO -0.02 0.13 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.32 3bpd s ILE 53 N 1.57 3.22 -0.17 1.82 1.01 0.94 -0.41 121.20 129.18 3bpd s ILE 53 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3bpd s ILE 53 Cb -0.17 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 3bpd s ILE 53 CO 0.04 0.47 -0.13 -0.22 0.00 0.00 0.00 174.94 175.10 3bpd s LEU 54 N 0.98 2.55 0.12 2.97 2.96 -0.83 -0.87 118.68 126.57 3bpd s LEU 54 Ca -0.01 -0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 53.18 3bpd s LEU 54 Cb -0.15 -1.60 0.07 0.00 0.50 0.00 0.00 46.19 45.02 3bpd s LEU 54 CO -0.00 0.06 0.96 -0.83 -1.32 0.00 0.00 176.35 175.22 3bpd s GLY 55 N 0.97 -0.28 -0.20 7.98 0.00 -0.20 -0.65 107.32 114.94 3bpd s GLY 55 Ca -0.02 0.30 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 3bpd s GLY 55 CO -0.02 0.06 0.12 0.54 0.00 0.00 0.00 173.10 173.80 3bpd s ASN 56 N -2.87 6.02 -0.18 1.64 2.20 -0.33 -4.16 114.94 117.26 3bpd s ASN 56 Ca 0.11 0.16 -0.00 0.00 -0.94 0.00 0.00 52.86 52.19 3bpd s ASN 56 Cb -0.01 -2.06 0.00 0.00 -2.00 0.00 0.00 41.25 37.18 3bpd s ASN 56 CO 0.00 0.15 0.01 -3.20 -2.94 0.00 0.00 177.10 171.12 3bpd n ASN 57 N 3.71 -7.22 -4.73 3.54 5.15 -0.90 -4.66 115.26 110.15 3bpd n ASN 57 Ca -0.16 1.03 -0.32 0.00 -0.60 0.00 0.00 54.58 54.54 3bpd n ASN 57 Cb 0.52 -3.83 -0.08 0.00 -0.53 0.00 0.00 39.78 35.86 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 -1.33 3.67 -0.49 1.20 1.43 -0.38 -4.81 118.68 117.97 3bpd s LEU 58 Ca -0.01 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 3bpd s LEU 58 Cb 0.00 -2.22 0.11 0.00 0.03 0.00 0.00 46.19 44.11 3bpd s LEU 58 CO 0.47 0.24 0.41 -0.62 0.23 0.00 0.00 176.35 177.07 3bpd s ASP 59 N -1.91 5.99 0.08 2.29 3.68 -1.26 -4.62 116.67 120.91 3bpd s ASP 59 Ca 0.24 -1.67 -0.37 0.00 2.13 0.00 0.00 52.55 52.88 3bpd s ASP 59 Cb -0.12 -2.13 -0.19 0.00 -1.45 0.00 0.00 42.92 39.04 3bpd s ASP 59 CO 0.15 -0.73 1.57 0.22 0.13 0.00 0.00 175.17 176.51 3bpd h TYR 60 N 8.69 -1.34 -1.12 -5.34 3.20 -1.98 0.27 116.97 119.35 3bpd h TYR 60 Ca -0.27 -0.00 0.32 0.00 3.14 0.00 0.00 58.73 61.92 3bpd h TYR 60 Cb 1.09 0.50 -0.11 0.00 1.54 0.00 0.00 36.73 39.75 3bpd h TYR 60 CO 0.67 -0.71 0.72 0.93 -1.64 0.00 0.00 178.16 178.13 3bpd h GLU 61 N -1.13 0.29 -0.05 1.82 4.39 -1.98 0.78 114.58 118.70 3bpd h GLU 61 Ca -0.09 -0.02 -0.25 0.00 0.34 0.00 0.00 59.36 59.34 3bpd h GLU 61 Cb 0.93 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 29.53 3bpd h GLU 61 CO 0.04 0.19 -0.95 0.37 -1.16 0.00 0.00 179.01 177.50 3bpd h GLN 62 N 0.30 0.72 0.45 2.33 4.15 -1.87 -0.80 115.11 120.39 3bpd h GLN 62 Ca 0.67 -0.71 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3bpd h GLN 62 Cb 1.83 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.71 3bpd h GLN 62 CO -0.35 1.30 -0.22 0.82 -1.93 0.00 0.00 178.83 178.45 3bpd h ILE 63 N 0.44 0.55 -0.97 2.39 1.08 0.21 -1.16 117.51 120.04 3bpd h ILE 63 Ca -0.10 -0.08 0.22 0.00 -0.39 0.00 0.00 64.86 64.50 3bpd h ILE 63 Cb 1.60 0.59 -0.09 0.00 -3.07 0.00 0.00 36.82 35.86 3bpd h ILE 63 CO 0.19 0.01 0.62 0.50 -0.69 0.00 0.00 178.15 178.79 3bpd h LYS 64 N -0.66 0.49 0.62 2.37 3.64 0.26 -2.01 116.57 121.29 3bpd h LYS 64 Ca -0.06 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3bpd h LYS 64 Cb 0.49 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3bpd h LYS 64 CO 0.10 0.33 -0.30 0.78 -2.27 0.00 0.00 179.45 178.09 3bpd h GLY 65 N 0.51 -0.87 0.23 5.01 0.00 -0.15 -2.25 103.07 105.55 3bpd h GLY 65 Ca 0.53 0.32 0.12 0.00 0.00 0.00 0.00 47.33 48.31 3bpd h GLY 65 CO -0.27 -0.31 0.25 -2.08 0.00 0.00 0.00 176.54 174.13 3bpd h VAL 66 N -0.98 0.69 -0.43 4.60 2.07 -0.53 -0.95 116.25 120.73 3bpd h VAL 66 Ca -0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3bpd h VAL 66 Cb 0.68 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3bpd h VAL 66 CO 0.14 0.07 0.21 0.40 0.02 0.00 0.00 177.57 178.42 3bpd h ILE 67 N 0.40 1.17 -0.19 4.57 2.04 -1.47 -2.93 117.51 121.12 3bpd h ILE 67 Ca 0.36 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3bpd h ILE 67 Cb 0.52 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3bpd h ILE 67 CO -0.37 0.19 -0.36 -0.33 0.00 0.00 0.00 178.15 177.27 3bpd h GLU 68 N 0.55 0.40 -1.93 2.37 5.08 -0.89 -2.08 114.58 118.07 3bpd h GLU 68 Ca 0.15 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3bpd h GLU 68 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3bpd h GLU 68 CO -0.02 0.71 0.00 -0.25 -1.00 0.00 0.00 179.01 178.45 3bpd n ASP 69 N -4.06 0.41 0.00 1.42 8.00 -0.41 -4.43 116.55 117.48 3bpd n ASP 69 Ca -0.01 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3bpd n ASP 69 Cb 0.47 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.31 0.00 3.68 0.44 0.00 -1.16 -5.09 105.19 104.37 3bpd n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.22 1.65 -0.06 -0.02 0.00 -0.79 -4.61 107.32 101.27 3bpd s GLY 72 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.92 3bpd s GLY 72 CO 0.00 0.70 0.15 0.14 0.00 0.00 0.00 173.10 174.10 3bpd s VAL 73 N -2.76 -0.01 -0.53 1.40 1.01 -0.30 -3.88 120.40 115.32 3bpd s VAL 73 Ca 0.65 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.43 3bpd s VAL 73 Cb -0.20 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 35.99 3bpd s VAL 73 CO 0.58 0.02 0.95 -0.63 0.00 0.00 0.00 175.10 176.02 3bpd s ILE 74 N 0.38 4.39 0.08 2.22 1.01 -1.26 -1.77 121.20 126.25 3bpd s ILE 74 Ca -0.02 0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 3bpd s ILE 74 Cb -0.04 -4.52 -0.22 0.00 0.01 0.00 0.00 42.46 37.69 3bpd s ILE 74 CO -0.02 -1.06 1.21 0.45 0.00 0.00 0.00 174.94 175.53 3bpd h HIS 75 N 9.27 1.05 -2.62 3.97 3.86 -1.33 -3.48 115.15 125.87 3bpd h HIS 75 Ca -0.26 -0.55 0.01 0.00 -1.16 0.00 0.00 60.37 58.41 3bpd h HIS 75 Cb 1.07 -0.13 -0.14 0.00 1.06 0.00 0.00 27.41 29.27 3bpd h HIS 75 CO 0.91 1.39 0.30 -1.54 0.86 0.00 0.00 177.93 179.85 3bpd s SER 76 N -7.26 -0.52 -0.55 2.45 1.04 -1.20 -5.02 113.70 102.64 3bpd s SER 76 Ca -0.10 0.11 -0.08 0.00 0.48 0.00 0.00 55.95 56.35 3bpd s SER 76 Cb 0.07 0.52 0.14 0.00 0.10 0.00 0.00 66.02 66.85 3bpd s SER 76 CO 0.92 -0.81 0.42 -0.69 0.98 0.00 0.00 173.24 174.06 3bpd s VAL 77 N -3.15 4.26 -0.00 5.02 1.01 -1.26 -1.24 120.40 125.03 3bpd s VAL 77 Ca 0.00 -2.13 -0.23 0.00 0.00 0.00 0.00 61.98 59.62 3bpd s VAL 77 Cb -0.01 -3.78 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 3bpd s VAL 77 CO -0.09 -0.83 1.24 0.44 0.00 0.00 0.00 175.10 175.86 3bpd h ASP 78 N 8.05 0.22 -4.42 3.32 3.32 -1.73 -3.46 116.42 121.72 3bpd h ASP 78 Ca -0.12 -0.56 -0.37 0.00 0.02 0.00 0.00 57.03 55.99 3bpd h ASP 78 Cb 1.04 -0.06 -0.24 0.00 0.22 0.00 0.00 39.33 40.29 3bpd h ASP 78 CO 0.81 0.74 -0.77 -0.70 -1.72 0.00 0.00 179.24 177.60 3bpd s GLU 79 N -3.98 0.73 -0.03 3.56 2.12 -1.21 -4.99 118.70 114.90 3bpd s GLU 79 Ca -0.15 -0.71 -0.00 0.00 0.36 0.00 0.00 54.97 54.47 3bpd s GLU 79 Cb 0.03 -0.66 0.03 0.00 0.26 0.00 0.00 34.13 33.78 3bpd s GLU 79 CO 0.72 0.16 0.02 0.08 -0.54 0.00 0.00 175.26 175.70 3bpd s VAL 80 N -0.97 0.09 -0.16 3.70 1.01 -1.26 -1.87 120.40 120.94 3bpd s VAL 80 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3bpd s VAL 80 Cb -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.11 3bpd s VAL 80 CO 0.01 0.14 -0.16 -0.69 0.00 0.00 0.00 175.10 174.40 3bpd s VAL 81 N 1.21 1.76 0.04 2.92 1.01 -0.09 -4.97 120.40 122.28 3bpd s VAL 81 Ca -0.07 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3bpd s VAL 81 Cb -0.13 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3bpd s VAL 81 CO -0.02 0.48 -0.13 0.00 0.00 0.00 0.00 175.10 175.42 3bpd s ALA 82 N 1.41 1.12 0.00 5.51 0.00 -1.26 0.17 121.76 128.70 3bpd s ALA 82 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3bpd s ALA 82 Cb -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3bpd s ALA 82 CO -0.11 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3bpd n GLY 83 N 1.81 0.69 0.08 0.00 0.00 -0.90 -4.86 105.19 102.01 3bpd n GLY 83 Ca -0.19 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.53 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 0.02 -5.84 1.61 1.57 -1.90 -3.36 116.57 108.67 3bpd h LYS 84 Ca 0.00 -0.04 -0.65 0.00 -1.87 0.00 0.00 60.65 58.10 3bpd h LYS 84 Cb 0.00 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 3bpd h LYS 84 CO 0.00 1.02 -0.52 0.42 -0.57 0.00 0.00 179.45 179.80 3bpd s ILE 85 N -2.28 5.23 -0.64 1.86 1.09 -1.26 -4.93 121.20 120.27 3bpd s ILE 85 Ca -0.22 -0.17 -0.28 0.00 -1.10 0.00 0.00 60.65 58.89 3bpd s ILE 85 Cb -0.00 -3.40 0.02 0.00 -1.06 0.00 0.00 42.46 38.02 3bpd s ILE 85 CO 0.67 0.38 1.30 -0.63 -0.10 0.00 0.00 174.94 176.57 3bpd s ILE 86 N -1.23 3.82 -0.30 2.92 -1.09 -1.26 -4.84 121.20 119.21 3bpd s ILE 86 Ca 0.24 0.63 -0.19 0.00 -2.23 0.00 0.00 60.65 59.10 3bpd s ILE 86 Cb -0.12 -4.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.04 3bpd s ILE 86 CO 0.15 -1.49 0.58 -0.69 -1.23 0.00 0.00 174.94 172.26 3bpd s VAL 87 N 5.67 4.98 0.44 2.92 1.01 -1.26 -5.06 120.40 129.11 3bpd s VAL 87 Ca 0.43 0.77 -0.19 0.00 0.00 0.00 0.00 61.98 62.98 3bpd s VAL 87 Cb -0.09 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 3bpd s VAL 87 CO 0.21 -0.10 0.94 -1.61 0.00 0.00 0.00 175.10 174.54 3bpd s GLU 88 N 2.50 4.13 0.11 2.72 0.41 -1.26 -4.95 118.70 122.37 3bpd s GLU 88 Ca 0.23 1.03 -0.31 0.00 -0.41 0.00 0.00 54.97 55.51 3bpd s GLU 88 Cb -0.15 -2.19 -0.07 0.00 -1.78 0.00 0.00 34.13 29.93 3bpd s GLU 88 CO 0.11 -0.08 1.30 0.45 -0.49 0.00 0.00 175.26 176.56 3bpd s SER 89 N -2.43 6.94 0.00 -0.19 0.15 -1.26 -5.24 113.70 111.66 3bpd s SER 89 Ca 0.60 2.22 0.32 0.00 0.70 0.00 0.00 55.95 59.80 3bpd s SER 89 Cb -0.09 -2.59 1.88 0.00 -1.71 0.00 0.00 66.02 63.51 3bpd s SER 89 CO 0.18 -0.56 2.22 0.52 1.20 0.00 0.00 173.24 176.80