#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 4.14 0.34 1.04 2.96 -1.26 -4.89 118.68 121.01 3bpd s LEU 1 Ca 0.00 -1.20 -0.07 0.00 -0.22 0.00 0.00 54.13 52.64 3bpd s LEU 1 Cb 0.00 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.23 3bpd s LEU 1 CO 0.00 -1.45 0.54 -1.59 -1.32 0.00 0.00 176.35 172.53 3bpd s LYS 2 N 4.24 1.93 2.58 1.98 0.00 -1.26 -3.96 119.74 125.25 3bpd s LYS 2 Ca 0.31 -1.62 0.00 0.00 0.00 0.00 0.00 55.97 54.66 3bpd s LYS 2 Cb -0.10 0.48 0.00 0.00 0.00 0.00 0.00 37.83 38.22 3bpd s LYS 2 CO 0.03 -0.82 0.00 0.41 0.00 0.00 0.00 175.35 174.97 3bpd n GLY 3 N -0.53 -0.80 3.66 0.59 0.00 -1.26 -0.79 105.19 106.07 3bpd n GLY 3 Ca -0.01 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 4.22 -0.26 0.99 1.43 -1.26 -0.18 118.68 123.62 3bpd s LEU 4 Ca 0.00 1.84 -0.03 0.00 -1.03 0.00 0.00 54.13 54.91 3bpd s LEU 4 Cb 0.00 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.52 3bpd s LEU 4 CO 0.00 -0.79 -0.24 0.54 0.23 0.00 0.00 176.35 176.09 3bpd n ARG 5 N 6.64 0.64 -3.87 1.70 5.12 0.20 -1.42 116.66 125.67 3bpd n ARG 5 Ca 0.15 0.19 -0.12 0.00 -1.93 0.00 0.00 57.85 56.14 3bpd n ARG 5 Cb 0.44 -1.52 -0.14 0.00 -1.16 0.00 0.00 32.46 30.08 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 -2.52 0.03 0.03 5.56 3.52 -1.05 -1.22 118.95 123.31 3bpd s ARG 6 Ca -0.36 -0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 3bpd s ARG 6 Cb 0.11 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 3bpd s ARG 6 CO 0.58 -0.01 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.44 3bpd s LEU 7 N -0.09 2.15 -0.22 -0.88 1.43 -0.25 -0.84 118.68 119.98 3bpd s LEU 7 Ca -0.01 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3bpd s LEU 7 Cb -0.01 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.80 3bpd s LEU 7 CO -0.00 0.00 -0.07 -0.69 0.23 0.00 0.00 176.35 175.82 3bpd s VAL 8 N -0.77 1.58 -0.11 -1.59 1.01 -0.80 -0.36 120.40 119.36 3bpd s VAL 8 Ca -0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 3bpd s VAL 8 Cb -0.07 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3bpd s VAL 8 CO 0.01 0.01 -0.07 -0.76 0.00 0.00 0.00 175.10 174.28 3bpd s LEU 9 N 1.39 3.09 -0.32 3.92 1.43 0.85 -1.04 118.68 128.00 3bpd s LEU 9 Ca -0.04 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 3bpd s LEU 9 Cb -0.18 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3bpd s LEU 9 CO -0.07 0.25 0.64 -0.62 0.23 0.00 0.00 176.35 176.78 3bpd s ASP 10 N -0.14 6.49 0.06 2.29 3.68 0.65 -0.99 116.67 128.70 3bpd s ASP 10 Ca 0.01 0.38 0.07 0.00 2.13 0.00 0.00 52.55 55.14 3bpd s ASP 10 Cb -0.13 -2.33 -0.03 0.00 -1.45 0.00 0.00 42.92 38.98 3bpd s ASP 10 CO 0.03 -0.52 -0.19 -0.69 0.13 0.00 0.00 175.17 173.94 3bpd s VAL 11 N 2.66 1.50 0.03 1.11 1.01 -0.31 -0.08 120.40 126.32 3bpd s VAL 11 Ca 0.25 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 61.04 3bpd s VAL 11 Cb -0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3bpd s VAL 11 CO 0.13 0.05 -0.15 -0.22 0.00 0.00 0.00 175.10 174.90 3bpd s LEU 12 N -1.42 2.76 0.11 3.92 2.96 0.09 -1.63 118.68 125.47 3bpd s LEU 12 Ca 0.05 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.36 3bpd s LEU 12 Cb -0.09 -1.60 0.08 0.00 0.50 0.00 0.00 46.19 45.08 3bpd s LEU 12 CO 0.02 0.26 0.73 -1.59 -1.32 0.00 0.00 176.35 174.45 3bpd s LYS 13 N -1.41 1.15 0.55 1.98 -2.85 -0.60 -1.31 119.74 117.26 3bpd s LYS 13 Ca 0.15 -0.46 -0.12 0.00 -1.00 0.00 0.00 55.97 54.54 3bpd s LYS 13 Cb -0.11 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 3bpd s LYS 13 CO 0.06 -0.51 0.96 -2.14 0.10 0.00 0.00 175.35 173.82 3bpd s PRO 14 N -3.52 3.72 0.34 1.78 0.02 -1.26 -0.41 135.00 135.68 3bpd s PRO 14 Ca 0.04 0.73 0.12 0.00 0.02 0.00 0.00 61.00 61.91 3bpd s PRO 14 Cb -0.01 -2.16 0.96 0.00 0.02 0.00 0.00 34.50 33.30 3bpd s PRO 14 CO -0.09 -0.38 1.74 0.45 -0.33 0.00 0.00 177.00 178.38 3bpd h HIS 15 N 0.30 0.91 -3.24 6.54 3.86 -1.85 -3.38 115.15 118.28 3bpd h HIS 15 Ca -0.46 0.03 -0.65 0.00 -1.16 0.00 0.00 60.37 58.14 3bpd h HIS 15 Cb 1.19 -0.26 -0.16 0.00 1.06 0.00 0.00 27.41 29.24 3bpd h HIS 15 CO 0.64 0.05 -0.60 -1.21 0.86 0.00 0.00 177.93 177.67 3bpd s GLU 16 N -5.69 3.52 0.75 2.45 0.41 -1.26 -3.43 118.70 115.45 3bpd s GLU 16 Ca -0.10 -0.38 -0.12 0.00 -0.41 0.00 0.00 54.97 53.96 3bpd s GLU 16 Cb 0.27 -3.00 0.04 0.00 -1.78 0.00 0.00 34.13 29.66 3bpd s GLU 16 CO 0.80 0.47 1.12 -1.25 -0.49 0.00 0.00 175.26 175.90 3bpd s PRO 17 N -0.21 2.48 1.01 0.39 0.04 -1.26 -4.96 135.00 132.50 3bpd s PRO 17 Ca 0.06 0.41 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 3bpd s PRO 17 Cb -0.12 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 32.63 3bpd s PRO 17 CO 0.02 -1.29 1.07 1.63 0.04 0.00 0.00 177.00 178.46 3bpd n LYS 18 N -3.17 -1.18 0.21 4.56 5.02 -1.22 -4.91 118.16 117.47 3bpd n LYS 18 Ca 0.07 -0.29 0.08 0.00 -2.02 0.00 0.00 58.31 56.15 3bpd n LYS 18 Cb 0.58 -2.28 0.44 0.00 -0.02 0.00 0.00 35.03 33.74 3bpd n LYS 18 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3bpd h THR 19 N -2.18 0.71 -0.40 -0.18 1.35 -1.95 -3.04 112.91 107.22 3bpd h THR 19 Ca -0.50 -1.21 -0.03 0.00 -0.55 0.00 0.00 66.41 64.12 3bpd h THR 19 Cb 1.29 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.47 3bpd h THR 19 CO 0.44 0.27 0.13 0.16 -0.25 0.00 0.00 175.52 176.26 3bpd h ILE 20 N 0.00 1.17 -0.30 6.82 3.07 -1.99 0.10 117.51 126.38 3bpd h ILE 20 Ca -0.00 -0.56 -0.18 0.00 1.55 0.00 0.00 64.86 65.67 3bpd h ILE 20 Cb 0.76 0.73 -0.00 0.00 -0.27 0.00 0.00 36.82 38.04 3bpd h ILE 20 CO 0.04 0.21 -0.52 -0.37 -1.05 0.00 0.00 178.15 176.46 3bpd h VAL 21 N 0.56 1.27 -0.04 0.16 -1.51 -1.89 -0.73 116.25 114.08 3bpd h VAL 21 Ca 0.14 -1.70 -0.00 0.00 -1.23 0.00 0.00 66.70 63.90 3bpd h VAL 21 Cb 0.17 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3bpd h VAL 21 CO -0.01 0.56 0.02 -0.26 -1.23 0.00 0.00 177.57 176.65 3bpd h PHE 22 N 0.68 0.05 -0.93 5.19 -1.00 -1.47 0.16 116.94 119.62 3bpd h PHE 22 Ca 0.02 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.83 3bpd h PHE 22 Cb 1.12 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.61 3bpd h PHE 22 CO 0.07 0.08 0.61 0.00 -1.61 0.00 0.00 178.31 177.46 3bpd h ALA 23 N 0.97 1.39 0.20 2.45 0.00 -0.93 -0.22 119.26 123.12 3bpd h ALA 23 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3bpd h ALA 23 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3bpd h ALA 23 CO -0.00 0.53 -0.09 1.25 0.00 0.00 0.00 179.25 180.94 3bpd h LEU 24 N 1.19 -0.22 -0.84 0.00 5.85 -0.75 -2.62 115.31 117.92 3bpd h LEU 24 Ca 0.36 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3bpd h LEU 24 Cb -0.03 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3bpd h LEU 24 CO -0.10 0.26 0.52 0.11 -0.34 0.00 0.00 178.44 178.89 3bpd h LYS 25 N -0.79 0.92 -0.18 1.25 1.79 -0.54 -1.85 116.57 117.18 3bpd h LYS 25 Ca -0.03 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 3bpd h LYS 25 Cb 0.51 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3bpd h LYS 25 CO 0.04 0.61 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.71 3bpd h LEU 26 N 0.95 0.31 -0.93 2.94 3.38 -1.11 -2.59 115.31 118.27 3bpd h LEU 26 Ca 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3bpd h LEU 26 Cb 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3bpd h LEU 26 CO -0.17 0.56 -0.13 0.77 0.09 0.00 0.00 178.44 179.56 3bpd h SER 27 N 0.29 0.00 0.11 -0.43 4.64 -0.97 -2.93 113.55 114.26 3bpd h SER 27 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3bpd h SER 27 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3bpd h SER 27 CO 0.04 0.13 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.47 3bpd n GLU 28 N -3.22 1.16 -2.48 4.77 1.02 -0.77 -4.81 120.64 116.30 3bpd n GLU 28 Ca 0.01 -0.46 -0.39 0.00 -0.02 0.00 0.00 57.16 56.30 3bpd n GLU 28 Cb 0.43 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.16 4.42 0.65 -4.62 1.43 -1.11 -4.99 118.68 112.31 3bpd s LEU 29 Ca 0.38 2.22 -0.17 0.00 -1.03 0.00 0.00 54.13 55.53 3bpd s LEU 29 Cb 0.21 -3.80 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 3bpd s LEU 29 CO 0.39 -0.27 1.22 -0.70 0.23 0.00 0.00 176.35 177.22 3bpd s GLU 30 N -1.77 2.59 0.00 1.70 2.12 -1.26 -2.54 118.70 119.54 3bpd s GLU 30 Ca 0.49 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.64 3bpd s GLU 30 Cb -0.29 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3bpd s GLU 30 CO 0.38 -1.50 0.00 0.09 -0.54 0.00 0.00 175.26 173.68 3bpd n ASN 31 N -2.09 0.00 -4.54 -1.70 3.02 -1.26 -4.95 115.26 103.74 3bpd n ASN 31 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 3bpd n ASN 31 Cb 0.50 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.58 4.84 -0.13 2.41 1.01 -1.05 -0.15 120.40 125.75 3bpd s VAL 32 Ca 0.00 0.27 0.20 0.00 0.00 0.00 0.00 61.98 62.45 3bpd s VAL 32 Cb 0.00 -4.17 0.17 0.00 0.00 0.00 0.00 36.38 32.39 3bpd s VAL 32 CO 0.00 -0.51 1.60 0.44 0.00 0.00 0.00 175.10 176.63 3bpd h ASP 33 N 8.75 0.00 0.00 3.32 3.32 -0.95 -3.47 116.42 127.39 3bpd h ASP 33 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3bpd h ASP 33 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3bpd h ASP 33 CO 0.88 0.31 0.00 0.61 -1.72 0.00 0.00 179.24 179.32 3bpd n GLY 34 N 0.87 1.06 3.04 2.75 0.00 -1.09 -5.00 105.19 106.83 3bpd n GLY 34 Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 0.72 -0.12 1.61 1.01 -1.26 -1.34 120.40 119.02 3bpd s VAL 35 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3bpd s VAL 35 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3bpd s VAL 35 CO 0.00 0.08 -0.10 0.21 0.00 0.00 0.00 175.10 175.29 3bpd s ASN 36 N -0.55 2.28 -0.27 3.32 3.84 0.04 -4.99 114.94 118.61 3bpd s ASN 36 Ca 0.01 -0.35 -0.02 0.00 0.21 0.00 0.00 52.86 52.71 3bpd s ASN 36 Cb -0.05 -0.93 0.03 0.00 -0.55 0.00 0.00 41.25 39.75 3bpd s ASN 36 CO 0.00 -0.09 -0.02 -0.63 -2.79 0.00 0.00 177.10 173.57 3bpd s ILE 37 N 1.56 3.03 -0.19 -5.21 1.01 -1.26 -0.10 121.20 120.04 3bpd s ILE 37 Ca 0.03 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 3bpd s ILE 37 Cb -0.13 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 3bpd s ILE 37 CO -0.08 0.07 0.12 -2.28 0.00 0.00 0.00 174.94 172.77 3bpd s HIS 38 N 1.32 3.39 -0.36 3.97 5.65 0.20 -4.95 115.29 124.51 3bpd s HIS 38 Ca -0.02 0.29 -0.26 0.00 0.25 0.00 0.00 55.06 55.32 3bpd s HIS 38 Cb -0.18 -2.13 0.02 0.00 -1.18 0.00 0.00 32.58 29.11 3bpd s HIS 38 CO -0.02 0.29 0.96 -1.17 -0.65 0.00 0.00 174.74 174.14 3bpd s LEU 39 N 0.27 3.97 -0.16 8.88 2.96 -1.26 -0.61 118.68 132.72 3bpd s LEU 39 Ca 0.07 0.66 -0.24 0.00 -0.22 0.00 0.00 54.13 54.41 3bpd s LEU 39 Cb -0.11 -3.32 -0.21 0.00 0.50 0.00 0.00 46.19 43.05 3bpd s LEU 39 CO -0.01 -0.87 0.50 0.28 -1.32 0.00 0.00 176.35 174.93 3bpd h SER 40 N 8.42 0.00 -4.54 3.68 0.02 -1.26 -3.48 113.55 116.39 3bpd h SER 40 Ca -0.23 -0.74 -0.01 0.00 -0.84 0.00 0.00 61.79 59.97 3bpd h SER 40 Cb 1.08 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.41 3bpd h SER 40 CO 0.99 1.13 0.29 -0.70 -1.14 0.00 0.00 176.83 177.40 3bpd s GLU 41 N -2.23 0.88 -0.17 3.45 2.12 -0.56 -5.00 118.70 117.18 3bpd s GLU 41 Ca -0.21 0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 3bpd s GLU 41 Cb 0.00 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 3bpd s GLU 41 CO 0.60 -0.25 -0.05 0.42 -0.54 0.00 0.00 175.26 175.44 3bpd s ILE 42 N -0.89 3.57 0.00 -3.70 1.01 -1.26 0.35 121.20 120.28 3bpd s ILE 42 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3bpd s ILE 42 Cb -0.01 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3bpd s ILE 42 CO 0.06 0.47 0.00 0.47 0.00 0.00 0.00 174.94 175.94 3bpd n ASP 43 N 3.97 1.41 0.35 3.58 10.43 -0.07 -5.00 116.55 131.23 3bpd n ASP 43 Ca -0.18 -0.63 -0.16 0.00 2.57 0.00 0.00 54.79 56.39 3bpd n ASP 43 Cb 0.52 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.40 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 -0.96 -0.01 -1.24 4.20 -2.02 -3.34 115.11 111.74 3bpd h GLN 44 Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3bpd h GLN 44 Cb 0.00 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3bpd h GLN 44 CO 0.00 -0.64 -0.11 0.00 -0.67 0.00 0.00 178.83 177.41 3bpd n ALA 45 N -2.64 2.62 -2.61 3.87 0.00 -1.26 -5.03 120.51 115.46 3bpd n ALA 45 Ca -0.12 -0.43 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 3bpd n ALA 45 Cb 0.42 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.97 0.78 -0.14 0.00 -1.32 -1.26 -3.79 115.64 108.94 3bpd s THR 46 Ca 0.07 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.43 3bpd s THR 46 Cb 0.06 -2.26 0.04 0.00 -1.51 0.00 0.00 72.50 68.83 3bpd s THR 46 CO 0.16 0.00 0.37 -0.70 -2.21 0.00 0.00 174.62 172.23 3bpd s GLU 47 N -3.76 0.41 -0.17 7.08 2.12 0.46 -0.89 118.70 123.96 3bpd s GLU 47 Ca 0.17 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 56.04 3bpd s GLU 47 Cb 0.02 0.16 -0.00 0.00 0.26 0.00 0.00 34.13 34.57 3bpd s GLU 47 CO 0.10 -0.07 -0.13 1.21 -0.54 0.00 0.00 175.26 175.84 3bpd s ASN 48 N 0.40 3.84 0.15 -1.70 2.47 0.16 -1.55 114.94 118.70 3bpd s ASN 48 Ca -0.02 -0.43 0.07 0.00 0.42 0.00 0.00 52.86 52.90 3bpd s ASN 48 Cb -0.04 -1.61 -0.04 0.00 -1.45 0.00 0.00 41.25 38.12 3bpd s ASN 48 CO -0.02 0.07 -0.16 0.27 -3.72 0.00 0.00 177.10 173.54 3bpd s ILE 49 N 0.91 1.60 -0.24 -5.21 -4.36 -0.64 -0.72 121.20 112.53 3bpd s ILE 49 Ca -0.03 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3bpd s ILE 49 Cb -0.15 -1.72 0.03 0.00 1.25 0.00 0.00 42.46 41.87 3bpd s ILE 49 CO -0.01 -0.37 -0.08 -0.75 0.24 0.00 0.00 174.94 173.96 3bpd s LYS 50 N -2.79 2.82 -0.23 0.37 2.20 0.22 -1.16 119.74 121.17 3bpd s LYS 50 Ca 0.13 -0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 3bpd s LYS 50 Cb -0.05 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 3bpd s LYS 50 CO 0.05 -0.38 0.05 0.42 -0.36 0.00 0.00 175.35 175.12 3bpd s ILE 51 N 1.30 4.26 -0.21 5.43 1.01 -0.16 -0.63 121.20 132.20 3bpd s ILE 51 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 3bpd s ILE 51 Cb -0.16 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3bpd s ILE 51 CO -0.06 0.38 -0.02 -0.89 0.00 0.00 0.00 174.94 174.36 3bpd s THR 52 N 1.28 3.73 -0.14 2.92 2.01 0.86 -0.11 115.64 126.18 3bpd s THR 52 Ca 0.04 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 3bpd s THR 52 Cb -0.15 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 3bpd s THR 52 CO 0.03 0.42 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.61 3bpd s ILE 53 N 1.19 2.86 0.05 1.82 1.01 0.51 -0.78 121.20 127.87 3bpd s ILE 53 Ca 0.03 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.03 3bpd s ILE 53 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3bpd s ILE 53 CO 0.00 0.52 -0.13 -0.22 0.00 0.00 0.00 174.94 175.11 3bpd s LEU 54 N 0.62 2.87 0.00 2.97 2.96 -0.45 -1.08 118.68 126.56 3bpd s LEU 54 Ca -0.08 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3bpd s LEU 54 Cb -0.16 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.86 3bpd s LEU 54 CO 0.03 0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 3bpd n GLY 55 N 1.28 -0.54 3.07 7.98 0.00 -0.36 -0.25 105.19 116.37 3bpd n GLY 55 Ca -0.15 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.00 1.72 -1.17 1.61 3.04 0.79 -4.50 114.94 112.42 3bpd s ASN 56 Ca 0.00 -0.28 -0.30 0.00 0.04 0.00 0.00 52.86 52.32 3bpd s ASN 56 Cb 0.00 -0.50 0.03 0.00 -1.54 0.00 0.00 41.25 39.24 3bpd s ASN 56 CO 0.00 0.10 0.70 -3.20 -3.04 0.00 0.00 177.10 171.67 3bpd n ASN 57 N 3.27 -4.47 -4.78 -4.21 5.15 0.03 -4.75 115.26 105.51 3bpd n ASN 57 Ca -0.19 -1.22 -0.37 0.00 -0.60 0.00 0.00 54.58 52.20 3bpd n ASN 57 Cb 0.53 -2.04 -0.03 0.00 -0.53 0.00 0.00 39.78 37.72 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 -7.10 4.12 -0.38 1.20 1.43 -0.50 -4.83 118.68 112.61 3bpd s LEU 58 Ca 0.46 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.63 3bpd s LEU 58 Cb -0.24 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 41.85 3bpd s LEU 58 CO 0.95 -0.66 0.25 -0.62 0.23 0.00 0.00 176.35 176.49 3bpd s ASP 59 N -1.39 5.91 0.09 2.29 3.68 -1.26 -4.53 116.67 121.46 3bpd s ASP 59 Ca 0.59 -0.89 -0.20 0.00 2.13 0.00 0.00 52.55 54.18 3bpd s ASP 59 Cb -0.26 -2.09 -0.09 0.00 -1.45 0.00 0.00 42.92 39.03 3bpd s ASP 59 CO 0.32 -0.39 1.62 0.22 0.13 0.00 0.00 175.17 177.08 3bpd h TYR 60 N 8.52 0.28 -0.62 -5.34 3.20 -1.99 -2.27 116.97 118.74 3bpd h TYR 60 Ca -0.27 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.68 3bpd h TYR 60 Cb 1.12 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 3bpd h TYR 60 CO 0.57 0.34 0.42 0.93 -1.64 0.00 0.00 178.16 178.78 3bpd h GLU 61 N 0.14 0.41 0.05 1.82 4.39 -1.98 0.41 114.58 119.82 3bpd h GLU 61 Ca 0.06 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3bpd h GLU 61 Cb 0.18 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3bpd h GLU 61 CO -0.00 0.27 -0.03 0.37 -1.16 0.00 0.00 179.01 178.46 3bpd h GLN 62 N 0.43 -0.07 -0.50 2.33 4.15 -1.92 -1.68 115.11 117.85 3bpd h GLN 62 Ca 0.29 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.75 3bpd h GLN 62 Cb 0.57 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 3bpd h GLN 62 CO -0.08 0.38 0.27 0.82 -1.93 0.00 0.00 178.83 178.28 3bpd h ILE 63 N -0.54 0.99 -0.82 2.39 2.04 -0.68 -1.45 117.51 119.43 3bpd h ILE 63 Ca -0.01 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3bpd h ILE 63 Cb 0.48 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3bpd h ILE 63 CO 0.01 0.10 0.54 0.50 0.00 0.00 0.00 178.15 179.30 3bpd h LYS 64 N 0.53 1.05 0.10 2.37 3.64 -0.24 -2.42 116.57 121.60 3bpd h LYS 64 Ca 0.21 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3bpd h LYS 64 Cb 0.09 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3bpd h LYS 64 CO -0.13 0.69 -0.05 0.78 -2.27 0.00 0.00 179.45 178.48 3bpd h GLY 65 N 1.08 -0.14 0.14 5.01 0.00 -0.31 -1.43 103.07 107.42 3bpd h GLY 65 Ca 0.31 0.05 0.14 0.00 0.00 0.00 0.00 47.33 47.83 3bpd h GLY 65 CO -0.07 -0.05 0.30 -2.08 0.00 0.00 0.00 176.54 174.63 3bpd h VAL 66 N -0.39 0.65 0.16 4.60 2.07 -1.16 0.47 116.25 122.66 3bpd h VAL 66 Ca -0.01 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3bpd h VAL 66 Cb 0.33 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3bpd h VAL 66 CO 0.02 0.08 -0.08 0.40 0.02 0.00 0.00 177.57 178.02 3bpd h ILE 67 N 0.44 0.93 -0.77 4.57 2.04 -1.31 -3.16 117.51 120.25 3bpd h ILE 67 Ca 0.42 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 3bpd h ILE 67 Cb 0.63 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3bpd h ILE 67 CO -0.41 0.10 0.26 -0.33 0.00 0.00 0.00 178.15 177.77 3bpd h GLU 68 N -0.42 1.18 -1.95 2.37 5.08 -0.61 0.18 114.58 120.41 3bpd h GLU 68 Ca -0.02 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3bpd h GLU 68 Cb 0.33 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3bpd h GLU 68 CO 0.04 0.98 0.00 -0.25 -1.00 0.00 0.00 179.01 178.78 3bpd n ASP 69 N -4.26 0.00 -0.00 1.42 9.92 0.16 -3.98 116.55 119.81 3bpd n ASP 69 Ca 0.06 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.90 3bpd n ASP 69 Cb 0.22 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.70 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 1.40 0.95 3.77 0.44 0.00 -1.08 -5.08 105.19 105.59 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 -1.05 1.62 -0.06 -0.02 0.00 0.63 -4.58 107.32 103.86 3bpd s GLY 72 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.55 3bpd s GLY 72 CO 0.00 0.32 0.16 0.14 0.00 0.00 0.00 173.10 173.72 3bpd s VAL 73 N -3.06 -0.00 -0.49 1.40 1.01 -0.42 -3.54 120.40 115.30 3bpd s VAL 73 Ca 0.62 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 3bpd s VAL 73 Cb -0.16 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.04 3bpd s VAL 73 CO 0.55 0.01 0.62 -0.63 0.00 0.00 0.00 175.10 175.65 3bpd s ILE 74 N 0.16 4.88 0.20 2.22 1.01 -1.26 -0.73 121.20 127.68 3bpd s ILE 74 Ca -0.01 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.35 3bpd s ILE 74 Cb -0.02 -4.27 -0.11 0.00 0.01 0.00 0.00 42.46 38.08 3bpd s ILE 74 CO -0.00 -0.74 1.46 0.45 0.00 0.00 0.00 174.94 176.10 3bpd h HIS 75 N 8.96 0.09 -1.53 3.97 3.86 -0.84 -3.48 115.15 126.19 3bpd h HIS 75 Ca -0.27 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 58.98 3bpd h HIS 75 Cb 1.10 -0.01 -0.24 0.00 1.06 0.00 0.00 27.41 29.32 3bpd h HIS 75 CO 0.74 0.82 0.57 -1.54 0.86 0.00 0.00 177.93 179.38 3bpd s SER 76 N -6.83 -0.35 -0.65 2.45 1.04 -1.09 -5.00 113.70 103.26 3bpd s SER 76 Ca -0.01 0.40 -0.16 0.00 0.48 0.00 0.00 55.95 56.66 3bpd s SER 76 Cb 0.11 0.31 0.15 0.00 0.10 0.00 0.00 66.02 66.70 3bpd s SER 76 CO 0.80 -0.31 0.62 -0.69 0.98 0.00 0.00 173.24 174.64 3bpd s VAL 77 N -1.02 5.28 0.23 5.02 1.01 -1.26 -0.26 120.40 129.40 3bpd s VAL 77 Ca -0.01 -1.75 0.12 0.00 0.00 0.00 0.00 61.98 60.34 3bpd s VAL 77 Cb -0.01 -4.41 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 3bpd s VAL 77 CO 0.00 -0.97 1.62 0.44 0.00 0.00 0.00 175.10 176.19 3bpd h ASP 78 N 8.58 0.00 -4.19 3.32 3.32 -1.46 -3.46 116.42 122.53 3bpd h ASP 78 Ca -0.16 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 3bpd h ASP 78 Cb 1.08 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.40 3bpd h ASP 78 CO 0.96 0.59 -0.28 -0.70 -1.72 0.00 0.00 179.24 178.09 3bpd s GLU 79 N -3.55 0.50 -0.03 3.56 2.12 -1.20 -4.98 118.70 115.13 3bpd s GLU 79 Ca -0.01 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.65 3bpd s GLU 79 Cb 0.12 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.77 3bpd s GLU 79 CO 0.75 -0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 175.43 3bpd s VAL 80 N -0.24 0.35 -0.12 3.70 1.01 -1.26 -1.90 120.40 121.95 3bpd s VAL 80 Ca -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3bpd s VAL 80 Cb -0.03 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3bpd s VAL 80 CO 0.02 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.38 3bpd s VAL 81 N 0.87 1.97 0.02 2.92 1.01 -0.02 -4.99 120.40 122.19 3bpd s VAL 81 Ca -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3bpd s VAL 81 Cb -0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3bpd s VAL 81 CO -0.01 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.55 3bpd s ALA 82 N 0.61 0.59 0.00 5.51 0.00 -1.26 0.60 121.76 127.81 3bpd s ALA 82 Ca -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3bpd s ALA 82 Cb -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3bpd s ALA 82 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3bpd n GLY 83 N 2.09 0.50 0.13 0.00 0.00 0.75 -4.84 105.19 103.82 3bpd n GLY 83 Ca -0.18 -2.14 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 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 0.26 -5.96 1.61 1.57 -1.88 -3.35 116.57 108.81 3bpd h LYS 84 Ca 0.00 -0.44 -0.68 0.00 -1.87 0.00 0.00 60.65 57.67 3bpd h LYS 84 Cb 0.00 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 32.34 3bpd h LYS 84 CO 0.00 1.21 -0.60 0.42 -0.57 0.00 0.00 179.45 179.91 3bpd s ILE 85 N -2.51 4.46 -0.09 1.86 1.01 -1.26 -4.90 121.20 119.78 3bpd s ILE 85 Ca -0.21 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 3bpd s ILE 85 Cb 0.05 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3bpd s ILE 85 CO 0.77 0.56 1.30 -0.63 0.00 0.00 0.00 174.94 176.94 3bpd s ILE 86 N -0.95 4.12 -0.09 2.92 -1.09 -1.26 -4.86 121.20 120.00 3bpd s ILE 86 Ca 0.15 1.42 -0.00 0.00 -2.23 0.00 0.00 60.65 59.98 3bpd s ILE 86 Cb -0.11 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3bpd s ILE 86 CO 0.04 -0.06 -0.07 -0.69 -1.23 0.00 0.00 174.94 172.93 3bpd s VAL 87 N 2.92 3.70 0.10 2.92 1.01 -1.26 -5.11 120.40 124.69 3bpd s VAL 87 Ca 0.58 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3bpd s VAL 87 Cb -0.25 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3bpd s VAL 87 CO 0.20 0.57 0.17 -1.61 0.00 0.00 0.00 175.10 174.43 3bpd s GLU 88 N -0.50 3.15 0.30 2.72 0.41 -1.26 -4.94 118.70 118.58 3bpd s GLU 88 Ca 0.07 -0.63 -0.29 0.00 -0.41 0.00 0.00 54.97 53.71 3bpd s GLU 88 Cb -0.12 -2.85 -0.11 0.00 -1.78 0.00 0.00 34.13 29.28 3bpd s GLU 88 CO 0.02 0.56 1.45 0.45 -0.49 0.00 0.00 175.26 177.25 3bpd s SER 89 N -2.71 6.57 0.00 -0.19 0.15 -1.26 -5.25 113.70 111.01 3bpd s SER 89 Ca 0.32 2.79 0.27 0.00 0.70 0.00 0.00 55.95 60.04 3bpd s SER 89 Cb -0.12 -2.64 0.93 0.00 -1.71 0.00 0.00 66.02 62.48 3bpd s SER 89 CO 0.25 -0.74 1.68 0.52 1.20 0.00 0.00 173.24 176.15