#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 3.36 0.28 1.04 1.43 -1.26 -4.93 118.68 118.60 3bpd s LEU 1 Ca 0.00 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 53.69 3bpd s LEU 1 Cb 0.00 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.52 3bpd s LEU 1 CO 0.00 -2.41 0.68 -1.59 0.23 0.00 0.00 176.35 173.26 3bpd s LYS 2 N 7.16 1.78 2.41 1.70 0.00 -1.26 -3.96 119.74 127.57 3bpd s LYS 2 Ca 0.80 -1.07 0.00 0.00 0.00 0.00 0.00 55.97 55.70 3bpd s LYS 2 Cb -0.16 0.59 0.00 0.00 0.00 0.00 0.00 37.83 38.25 3bpd s LYS 2 CO 0.25 -0.81 0.00 0.41 0.00 0.00 0.00 175.35 175.20 3bpd n GLY 3 N -0.45 -0.48 3.67 0.59 0.00 -1.26 0.86 105.19 108.12 3bpd n GLY 3 Ca -0.04 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 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 4.24 -0.16 0.99 1.43 -1.26 -1.50 118.68 122.41 3bpd s LEU 4 Ca 0.00 1.80 0.14 0.00 -1.03 0.00 0.00 54.13 55.04 3bpd s LEU 4 Cb 0.00 -3.55 -0.20 0.00 0.03 0.00 0.00 46.19 42.47 3bpd s LEU 4 CO 0.00 -0.70 0.05 0.54 0.23 0.00 0.00 176.35 176.48 3bpd n ARG 5 N 5.97 1.36 -3.71 1.70 5.12 0.26 0.38 116.66 127.74 3bpd n ARG 5 Ca 0.13 -0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.93 3bpd n ARG 5 Cb 0.45 -1.41 -0.10 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.39 0.46 -0.04 5.56 3.52 -0.99 -0.55 118.95 124.51 3bpd s ARG 6 Ca -0.08 0.73 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 3bpd s ARG 6 Cb 0.05 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 3bpd s ARG 6 CO 0.66 -0.12 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.40 3bpd s LEU 7 N 0.91 1.78 -0.21 -0.88 1.43 -0.78 0.00 118.68 120.94 3bpd s LEU 7 Ca -0.05 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3bpd s LEU 7 Cb -0.06 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 3bpd s LEU 7 CO -0.07 0.09 -0.01 -0.69 0.23 0.00 0.00 176.35 175.89 3bpd s VAL 8 N 0.27 3.82 -0.10 -1.59 1.01 0.06 -0.58 120.40 123.30 3bpd s VAL 8 Ca -0.06 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3bpd s VAL 8 Cb -0.11 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3bpd s VAL 8 CO 0.02 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.57 3bpd s LEU 9 N 1.12 2.26 -0.62 3.92 1.43 0.40 -1.64 118.68 125.55 3bpd s LEU 9 Ca 0.02 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 3bpd s LEU 9 Cb -0.14 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.69 3bpd s LEU 9 CO 0.01 0.18 0.88 -0.62 0.23 0.00 0.00 176.35 177.03 3bpd s ASP 10 N 0.21 6.20 -0.08 2.29 3.68 0.14 -0.54 116.67 128.57 3bpd s ASP 10 Ca -0.13 -0.98 0.02 0.00 2.13 0.00 0.00 52.55 53.59 3bpd s ASP 10 Cb -0.16 -2.39 -0.02 0.00 -1.45 0.00 0.00 42.92 38.90 3bpd s ASP 10 CO 0.07 -1.30 -0.15 -0.69 0.13 0.00 0.00 175.17 173.23 3bpd s VAL 11 N 3.65 2.92 -0.15 1.11 1.01 -0.42 0.92 120.40 129.44 3bpd s VAL 11 Ca 0.20 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3bpd s VAL 11 Cb -0.18 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3bpd s VAL 11 CO 0.11 0.56 -0.04 -0.22 0.00 0.00 0.00 175.10 175.50 3bpd s LEU 12 N -0.21 3.22 0.05 3.92 2.96 0.15 -1.04 118.68 127.73 3bpd s LEU 12 Ca 0.00 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 3bpd s LEU 12 Cb -0.13 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3bpd s LEU 12 CO 0.03 0.19 0.11 -1.59 -1.32 0.00 0.00 176.35 173.77 3bpd s LYS 13 N 0.26 0.66 1.04 1.98 -2.85 -0.89 -0.65 119.74 119.30 3bpd s LYS 13 Ca -0.03 -0.85 -0.16 0.00 -1.00 0.00 0.00 55.97 53.92 3bpd s LYS 13 Cb -0.14 0.26 0.22 0.00 -2.06 0.00 0.00 37.83 36.11 3bpd s LYS 13 CO 0.03 -0.18 1.19 -1.25 0.10 0.00 0.00 175.35 175.25 3bpd s PRO 14 N -3.08 0.04 0.29 1.78 0.04 -1.25 -1.23 135.00 131.58 3bpd s PRO 14 Ca -0.01 -0.09 -0.02 0.00 0.04 0.00 0.00 61.00 60.92 3bpd s PRO 14 Cb 0.02 -1.75 0.44 0.00 0.04 0.00 0.00 34.50 33.25 3bpd s PRO 14 CO -0.07 -2.87 1.92 0.45 0.04 0.00 0.00 177.00 176.47 3bpd h HIS 15 N -1.98 0.96 -3.16 0.56 3.86 -1.89 -3.42 115.15 110.09 3bpd h HIS 15 Ca -0.46 -0.02 -0.67 0.00 -1.16 0.00 0.00 60.37 58.06 3bpd h HIS 15 Cb 1.28 -0.31 -0.13 0.00 1.06 0.00 0.00 27.41 29.31 3bpd h HIS 15 CO -1.16 0.67 -0.58 -1.21 0.86 0.00 0.00 177.93 176.50 3bpd s GLU 16 N -5.66 3.20 0.60 2.45 0.41 -1.26 -3.51 118.70 114.93 3bpd s GLU 16 Ca -0.11 -0.34 -0.14 0.00 -0.41 0.00 0.00 54.97 53.97 3bpd s GLU 16 Cb 0.17 -2.93 -0.04 0.00 -1.78 0.00 0.00 34.13 29.55 3bpd s GLU 16 CO 0.79 0.67 1.03 -2.14 -0.49 0.00 0.00 175.26 175.12 3bpd s PRO 17 N -0.76 3.48 0.75 0.39 0.02 -1.26 -4.93 135.00 132.69 3bpd s PRO 17 Ca 0.12 0.98 -0.15 0.00 0.02 0.00 0.00 61.00 61.97 3bpd s PRO 17 Cb -0.12 -2.06 0.05 0.00 0.02 0.00 0.00 34.50 32.39 3bpd s PRO 17 CO 0.02 -0.67 1.24 0.15 -0.33 0.00 0.00 177.00 177.42 3bpd s LYS 18 N -4.53 1.95 0.58 5.54 1.02 -1.23 -4.88 119.74 118.19 3bpd s LYS 18 Ca 0.59 1.87 0.27 0.00 0.02 0.00 0.00 55.97 58.71 3bpd s LYS 18 Cb -0.13 -1.80 1.70 0.00 -0.52 0.00 0.00 37.83 37.09 3bpd s LYS 18 CO 0.43 -2.01 2.23 1.79 -0.92 0.00 0.00 175.35 176.87 3bpd h THR 19 N -0.40 0.62 -0.45 2.17 1.35 -1.96 -2.01 112.91 112.24 3bpd h THR 19 Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3bpd h THR 19 Cb 1.31 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 3bpd h THR 19 CO 0.49 0.00 0.26 0.16 -0.25 0.00 0.00 175.52 176.18 3bpd h ILE 20 N 0.00 1.13 -0.50 6.82 3.07 -1.99 -0.27 117.51 125.77 3bpd h ILE 20 Ca 0.01 -0.31 -0.03 0.00 1.55 0.00 0.00 64.86 66.08 3bpd h ILE 20 Cb 0.03 0.51 -0.02 0.00 -0.27 0.00 0.00 36.82 37.07 3bpd h ILE 20 CO -0.00 0.14 0.20 0.58 -1.05 0.00 0.00 178.15 178.02 3bpd h VAL 21 N 0.62 1.21 0.02 0.16 2.07 -1.71 -0.88 116.25 117.74 3bpd h VAL 21 Ca 0.16 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3bpd h VAL 21 Cb -0.01 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3bpd h VAL 21 CO -0.03 0.25 -0.08 -0.26 0.02 0.00 0.00 177.57 177.47 3bpd h PHE 22 N 0.67 -0.21 -0.31 1.57 -1.00 -1.21 -1.04 116.94 115.41 3bpd h PHE 22 Ca 0.17 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.96 3bpd h PHE 22 Cb 0.20 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3bpd h PHE 22 CO 0.01 -0.13 0.21 0.00 -1.61 0.00 0.00 178.31 176.78 3bpd h ALA 23 N 0.81 1.81 0.28 2.45 0.00 -0.91 -1.45 119.26 122.25 3bpd h ALA 23 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3bpd h ALA 23 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bpd h ALA 23 CO -0.07 0.17 -0.13 -0.07 0.00 0.00 0.00 179.25 179.14 3bpd h LEU 24 N 0.39 -0.32 -1.09 0.00 3.38 -0.59 -2.01 115.31 115.07 3bpd h LEU 24 Ca 0.12 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3bpd h LEU 24 Cb -0.00 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3bpd h LEU 24 CO -0.03 0.15 0.61 0.11 0.09 0.00 0.00 178.44 179.38 3bpd h LYS 25 N -0.91 1.05 -0.40 1.13 1.79 -1.11 -0.42 116.57 117.70 3bpd h LYS 25 Ca -0.04 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 3bpd h LYS 25 Cb 0.51 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 3bpd h LYS 25 CO 0.06 0.70 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.88 3bpd h LEU 26 N 1.08 0.86 -1.34 2.94 3.38 -1.32 -2.91 115.31 118.00 3bpd h LEU 26 Ca 0.41 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3bpd h LEU 26 Cb 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bpd h LEU 26 CO -0.16 1.07 -0.32 0.77 0.09 0.00 0.00 178.44 179.89 3bpd h SER 27 N 0.65 0.00 0.00 -0.43 4.64 -0.74 -2.61 113.55 115.06 3bpd h SER 27 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3bpd h SER 27 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3bpd h SER 27 CO 0.06 0.32 0.00 -0.62 -0.87 0.00 0.00 176.83 175.72 3bpd n GLU 28 N -3.99 0.86 -2.59 4.77 1.02 -0.22 -4.80 120.64 115.69 3bpd n GLU 28 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3bpd n GLU 28 Cb 0.38 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.65 3.73 0.37 -4.62 1.43 -0.99 -5.02 118.68 111.94 3bpd s LEU 29 Ca 0.27 1.46 -0.26 0.00 -1.03 0.00 0.00 54.13 54.57 3bpd s LEU 29 Cb 0.12 -4.37 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 3bpd s LEU 29 CO 0.21 -0.50 1.10 -1.61 0.23 0.00 0.00 176.35 175.77 3bpd s GLU 30 N -3.87 4.23 -1.09 1.70 2.02 -1.26 -3.30 118.70 117.14 3bpd s GLU 30 Ca 0.57 1.67 0.00 0.00 0.02 0.00 0.00 54.97 57.23 3bpd s GLU 30 Cb -0.10 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3bpd s GLU 30 CO 0.29 -0.12 0.00 0.09 0.02 0.00 0.00 175.26 175.54 3bpd n ASN 31 N 0.24 -4.57 -4.18 -0.19 3.02 -1.26 -4.98 115.26 103.33 3bpd n ASN 31 Ca 0.03 0.25 -0.38 0.00 -0.03 0.00 0.00 54.58 54.46 3bpd n ASN 31 Cb 0.48 -2.98 -0.11 0.00 -0.61 0.00 0.00 39.78 36.56 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 -2.27 3.59 0.11 2.41 1.01 -1.21 -2.15 120.40 121.90 3bpd s VAL 32 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.07 3bpd s VAL 32 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3bpd s VAL 32 CO 0.00 -0.55 1.66 0.44 0.00 0.00 0.00 175.10 176.65 3bpd h ASP 33 N 8.18 0.41 -4.88 3.32 3.45 -1.18 -3.46 116.42 122.25 3bpd h ASP 33 Ca -0.18 -0.16 0.05 0.00 0.43 0.00 0.00 57.03 57.17 3bpd h ASP 33 Cb 1.06 -0.11 -0.13 0.00 -0.56 0.00 0.00 39.33 39.60 3bpd h ASP 33 CO 0.70 0.46 0.34 -0.83 -1.57 0.00 0.00 179.24 178.34 3bpd s GLY 34 N -2.82 -0.50 -0.04 2.75 0.00 -1.14 -5.03 107.32 100.54 3bpd s GLY 34 Ca -0.13 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.21 3bpd s GLY 34 CO 0.73 0.20 -0.04 0.14 0.00 0.00 0.00 173.10 174.13 3bpd s VAL 35 N -3.49 0.46 -0.19 1.40 1.01 -1.26 -0.84 120.40 117.49 3bpd s VAL 35 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3bpd s VAL 35 Cb -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3bpd s VAL 35 CO -0.09 0.21 -0.08 0.21 0.00 0.00 0.00 175.10 175.34 3bpd s ASN 36 N 0.93 4.14 -0.29 3.32 3.84 -0.09 -4.99 114.94 121.80 3bpd s ASN 36 Ca -0.11 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.61 3bpd s ASN 36 Cb -0.14 -1.68 0.07 0.00 -0.55 0.00 0.00 41.25 38.95 3bpd s ASN 36 CO -0.00 0.04 -0.05 -0.63 -2.79 0.00 0.00 177.10 173.67 3bpd s ILE 37 N 1.10 2.27 -0.10 -5.21 1.01 -1.26 -0.35 121.20 118.66 3bpd s ILE 37 Ca 0.01 -1.87 -0.12 0.00 0.00 0.00 0.00 60.65 58.67 3bpd s ILE 37 Cb -0.15 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 3bpd s ILE 37 CO -0.02 -0.23 0.27 -2.28 0.00 0.00 0.00 174.94 172.68 3bpd s HIS 38 N 1.04 3.59 -0.21 3.97 5.65 -0.72 -4.94 115.29 123.67 3bpd s HIS 38 Ca -0.02 0.69 -0.24 0.00 0.25 0.00 0.00 55.06 55.74 3bpd s HIS 38 Cb -0.20 -2.19 -0.01 0.00 -1.18 0.00 0.00 32.58 29.00 3bpd s HIS 38 CO -0.06 0.53 0.78 -1.17 -0.65 0.00 0.00 174.74 174.17 3bpd s LEU 39 N -0.51 4.12 -0.19 8.88 2.96 -1.26 -0.79 118.68 131.91 3bpd s LEU 39 Ca 0.18 1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 54.93 3bpd s LEU 39 Cb -0.14 -3.13 -0.15 0.00 0.50 0.00 0.00 46.19 43.28 3bpd s LEU 39 CO 0.07 -0.42 0.14 0.28 -1.32 0.00 0.00 176.35 175.09 3bpd h SER 40 N 7.53 0.00 -4.37 3.68 0.02 -1.12 -3.48 113.55 115.81 3bpd h SER 40 Ca -0.27 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.27 3bpd h SER 40 Cb 1.12 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.45 3bpd h SER 40 CO 0.83 1.25 0.26 -0.70 -1.14 0.00 0.00 176.83 177.34 3bpd s GLU 41 N -2.30 0.86 -0.10 3.45 2.12 -0.85 -4.99 118.70 116.88 3bpd s GLU 41 Ca -0.24 0.48 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 3bpd s GLU 41 Cb 0.04 0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 3bpd s GLU 41 CO 0.49 -0.21 -0.04 0.42 -0.54 0.00 0.00 175.26 175.38 3bpd s ILE 42 N -0.59 3.97 0.29 -3.70 1.01 -1.26 -0.26 121.20 120.67 3bpd s ILE 42 Ca -0.05 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3bpd s ILE 42 Cb -0.02 -2.67 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 3bpd s ILE 42 CO 0.04 0.57 -0.08 -1.81 0.00 0.00 0.00 174.94 173.66 3bpd s ASP 43 N -0.50 3.06 0.41 3.58 -0.00 0.28 -4.99 116.67 118.52 3bpd s ASP 43 Ca 0.08 -1.17 0.27 0.00 -0.00 0.00 0.00 52.55 51.73 3bpd s ASP 43 Cb -0.12 -0.22 1.39 0.00 -0.00 0.00 0.00 42.92 43.97 3bpd s ASP 43 CO 0.02 -0.27 1.61 0.06 -0.00 0.00 0.00 175.17 176.59 3bpd h GLN 44 N 2.23 0.07 0.00 8.23 3.07 -2.04 -2.70 115.11 123.96 3bpd h GLN 44 Ca -0.40 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 3bpd h GLN 44 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.78 3bpd h GLN 44 CO 0.67 0.05 0.00 0.00 0.09 0.00 0.00 178.83 179.64 3bpd n ALA 45 N -2.44 1.61 -2.48 0.06 0.00 -1.26 -5.05 120.51 110.95 3bpd n ALA 45 Ca 0.38 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3bpd n ALA 45 Cb 1.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.75 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 -0.38 0.01 0.04 0.00 -4.23 -1.02 -3.60 115.64 106.46 3bpd s THR 46 Ca 0.00 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 3bpd s THR 46 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 3bpd s THR 46 CO 0.00 -0.05 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.28 3bpd s GLU 47 N -4.10 0.89 -0.24 3.99 2.02 -0.37 0.99 118.70 121.88 3bpd s GLU 47 Ca 0.32 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 3bpd s GLU 47 Cb 0.05 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 33.41 3bpd s GLU 47 CO 0.10 0.22 -0.06 1.21 0.02 0.00 0.00 175.26 176.74 3bpd s ASN 48 N -1.13 4.25 0.28 -0.19 3.84 0.65 -2.09 114.94 120.54 3bpd s ASN 48 Ca 0.01 -0.79 0.11 0.00 0.21 0.00 0.00 52.86 52.41 3bpd s ASN 48 Cb -0.08 -1.67 -0.05 0.00 -0.55 0.00 0.00 41.25 38.91 3bpd s ASN 48 CO 0.01 -0.11 -0.17 0.27 -2.79 0.00 0.00 177.10 174.32 3bpd s ILE 49 N 1.35 2.59 -0.30 -5.21 -4.36 -0.21 -0.48 121.20 114.58 3bpd s ILE 49 Ca 0.01 -2.33 0.01 0.00 -0.26 0.00 0.00 60.65 58.08 3bpd s ILE 49 Cb -0.16 -2.40 0.07 0.00 1.25 0.00 0.00 42.46 41.22 3bpd s ILE 49 CO -0.05 -0.38 -0.02 -0.75 0.24 0.00 0.00 174.94 173.98 3bpd s LYS 50 N -3.54 2.19 -0.29 0.37 2.20 0.03 -1.31 119.74 119.40 3bpd s LYS 50 Ca 0.30 -1.43 -0.14 0.00 -0.36 0.00 0.00 55.97 54.34 3bpd s LYS 50 Cb -0.05 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 3bpd s LYS 50 CO 0.16 -0.69 0.33 0.42 -0.36 0.00 0.00 175.35 175.21 3bpd s ILE 51 N 1.14 5.20 -0.38 5.43 1.01 0.30 -1.75 121.20 132.14 3bpd s ILE 51 Ca -0.03 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 3bpd s ILE 51 Cb -0.20 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.64 3bpd s ILE 51 CO -0.04 0.11 0.20 -0.89 0.00 0.00 0.00 174.94 174.32 3bpd s THR 52 N 1.98 4.11 -0.20 2.92 2.01 0.53 0.15 115.64 127.14 3bpd s THR 52 Ca 0.12 -1.24 -0.06 0.00 0.31 0.00 0.00 61.69 60.81 3bpd s THR 52 Cb -0.16 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3bpd s THR 52 CO 0.11 -0.36 0.04 -0.63 -0.69 0.00 0.00 174.62 173.09 3bpd s ILE 53 N 1.43 4.42 -0.03 1.82 1.01 0.26 -0.91 121.20 129.19 3bpd s ILE 53 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3bpd s ILE 53 Cb -0.21 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3bpd s ILE 53 CO 0.03 0.43 -0.11 -0.22 0.00 0.00 0.00 174.94 175.07 3bpd s LEU 54 N 0.77 2.93 0.00 2.97 2.96 -0.02 -1.88 118.68 126.42 3bpd s LEU 54 Ca 0.02 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3bpd s LEU 54 Cb -0.14 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3bpd s LEU 54 CO 0.02 0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 3bpd n GLY 55 N 2.03 -0.75 3.23 7.98 0.00 0.29 -0.58 105.19 117.38 3bpd n GLY 55 Ca -0.17 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 3.18 -0.87 1.61 3.04 -0.91 -4.31 114.94 112.68 3bpd s ASN 56 Ca 0.00 -0.54 -0.04 0.00 0.04 0.00 0.00 52.86 52.33 3bpd s ASN 56 Cb 0.00 -1.43 0.00 0.00 -1.54 0.00 0.00 41.25 38.28 3bpd s ASN 56 CO 0.00 0.16 0.61 -3.20 -3.04 0.00 0.00 177.10 171.63 3bpd n ASN 57 N 3.53 -4.82 -4.82 -4.21 5.15 0.25 -4.87 115.26 105.48 3bpd n ASN 57 Ca -0.19 -0.99 -0.32 0.00 -0.60 0.00 0.00 54.58 52.48 3bpd n ASN 57 Cb 0.53 -1.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.06 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 -5.21 3.49 -0.66 1.20 1.43 0.16 -4.75 118.68 114.34 3bpd s LEU 58 Ca 0.05 1.73 -0.05 0.00 -1.03 0.00 0.00 54.13 54.83 3bpd s LEU 58 Cb -0.03 -4.52 0.17 0.00 0.03 0.00 0.00 46.19 41.84 3bpd s LEU 58 CO 0.90 -1.04 0.50 -0.62 0.23 0.00 0.00 176.35 176.32 3bpd s ASP 59 N -2.98 5.58 0.27 2.29 3.68 -1.26 -4.42 116.67 119.84 3bpd s ASP 59 Ca 0.62 -2.77 -0.08 0.00 2.13 0.00 0.00 52.55 52.45 3bpd s ASP 59 Cb -0.14 -1.94 0.47 0.00 -1.45 0.00 0.00 42.92 39.86 3bpd s ASP 59 CO 0.38 -0.43 1.57 0.22 0.13 0.00 0.00 175.17 177.04 3bpd h TYR 60 N 7.26 -0.44 -0.91 -5.34 3.20 -1.99 0.23 116.97 118.98 3bpd h TYR 60 Ca 0.00 0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3bpd h TYR 60 Cb 0.98 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 3bpd h TYR 60 CO 0.77 -0.41 0.58 0.93 -1.64 0.00 0.00 178.16 178.40 3bpd h GLU 61 N 0.00 1.06 -0.35 1.82 4.39 -1.98 0.34 114.58 119.87 3bpd h GLU 61 Ca 0.47 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 60.02 3bpd h GLU 61 Cb 0.76 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3bpd h GLU 61 CO -0.97 0.70 -0.13 0.37 -1.16 0.00 0.00 179.01 177.83 3bpd h GLN 62 N 1.09 0.70 -0.19 2.33 4.15 -1.01 0.13 115.11 122.32 3bpd h GLN 62 Ca 0.38 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3bpd h GLN 62 Cb 0.09 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3bpd h GLN 62 CO -0.15 0.88 0.10 0.82 -1.93 0.00 0.00 178.83 178.55 3bpd h ILE 63 N 0.48 1.11 -0.33 2.39 2.04 -0.75 -0.40 117.51 122.06 3bpd h ILE 63 Ca 0.08 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3bpd h ILE 63 Cb 0.65 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3bpd h ILE 63 CO 0.04 0.11 0.21 0.50 0.00 0.00 0.00 178.15 179.01 3bpd h LYS 64 N 0.19 0.43 -0.31 2.37 3.64 -0.20 -1.22 116.57 121.48 3bpd h LYS 64 Ca 0.07 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3bpd h LYS 64 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3bpd h LYS 64 CO -0.01 0.29 -0.14 0.78 -2.27 0.00 0.00 179.45 178.11 3bpd h GLY 65 N 0.46 0.69 0.86 5.01 0.00 0.01 -0.62 103.07 109.49 3bpd h GLY 65 Ca 0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3bpd h GLY 65 CO -0.02 0.56 -0.17 -2.08 0.00 0.00 0.00 176.54 174.83 3bpd h VAL 66 N 0.40 0.64 -0.26 4.60 2.07 -0.15 -0.17 116.25 123.37 3bpd h VAL 66 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3bpd h VAL 66 Cb 0.66 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3bpd h VAL 66 CO 0.04 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.10 3bpd h ILE 67 N -0.40 0.89 -0.61 4.57 2.04 -1.22 -2.87 117.51 119.91 3bpd h ILE 67 Ca -0.01 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 3bpd h ILE 67 Cb 0.35 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3bpd h ILE 67 CO -0.00 0.03 0.00 -0.33 0.00 0.00 0.00 178.15 177.85 3bpd h GLU 68 N 0.17 1.08 -2.16 2.37 5.08 -0.96 -0.78 114.58 119.39 3bpd h GLU 68 Ca 0.12 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3bpd h GLU 68 Cb 0.11 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3bpd h GLU 68 CO -0.15 1.05 0.08 -0.25 -1.00 0.00 0.00 179.01 178.74 3bpd n ASP 69 N -4.18 0.00 -0.17 1.42 8.00 -0.09 -3.67 116.55 117.87 3bpd n ASP 69 Ca 0.03 -1.08 0.06 0.00 0.71 0.00 0.00 54.79 54.51 3bpd n ASP 69 Cb 0.35 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.53 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 2.15 3.12 3.97 0.44 0.00 -1.22 -5.10 105.19 108.55 3bpd n GLY 71 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.02 1.53 -0.05 -0.02 0.00 -0.30 -3.90 107.32 102.56 3bpd s GLY 72 Ca 0.18 -1.25 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 3bpd s GLY 72 CO 0.02 -1.15 0.11 0.14 0.00 0.00 0.00 173.10 172.22 3bpd s VAL 73 N -2.30 -0.02 -0.32 1.40 1.01 0.18 -4.03 120.40 116.31 3bpd s VAL 73 Ca 0.45 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 3bpd s VAL 73 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3bpd s VAL 73 CO 0.34 0.04 0.53 -0.63 0.00 0.00 0.00 175.10 175.37 3bpd s ILE 74 N 0.57 5.02 -0.01 2.22 1.01 -1.26 -0.67 121.20 128.08 3bpd s ILE 74 Ca -0.04 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.19 3bpd s ILE 74 Cb -0.06 -3.93 -0.24 0.00 0.01 0.00 0.00 42.46 38.24 3bpd s ILE 74 CO -0.02 -0.13 0.80 0.45 0.00 0.00 0.00 174.94 176.04 3bpd h HIS 75 N 8.32 0.19 -1.88 3.97 3.86 0.18 -3.49 115.15 126.30 3bpd h HIS 75 Ca -0.28 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 58.86 3bpd h HIS 75 Cb 1.13 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 29.39 3bpd h HIS 75 CO 0.74 1.20 0.46 -1.54 0.86 0.00 0.00 177.93 179.64 3bpd s SER 76 N -6.57 -0.42 -0.42 2.45 1.04 -0.99 -4.98 113.70 103.81 3bpd s SER 76 Ca -0.07 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.59 3bpd s SER 76 Cb 0.08 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.64 3bpd s SER 76 CO 0.83 -0.49 0.27 -0.69 0.98 0.00 0.00 173.24 174.15 3bpd s VAL 77 N -1.77 4.50 0.06 5.02 1.01 -1.26 0.27 120.40 128.23 3bpd s VAL 77 Ca -0.01 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 60.83 3bpd s VAL 77 Cb -0.01 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.47 3bpd s VAL 77 CO -0.00 -0.46 1.04 0.44 0.00 0.00 0.00 175.10 176.12 3bpd h ASP 78 N 8.48 0.02 -4.20 3.32 3.32 -1.69 -3.47 116.42 122.20 3bpd h ASP 78 Ca -0.24 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 3bpd h ASP 78 Cb 1.09 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.41 3bpd h ASP 78 CO 0.76 1.02 -0.17 -0.70 -1.72 0.00 0.00 179.24 178.44 3bpd s GLU 79 N -2.67 0.60 -0.01 3.56 2.12 -1.24 -4.97 118.70 116.10 3bpd s GLU 79 Ca -0.01 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.77 3bpd s GLU 79 Cb 0.09 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.78 3bpd s GLU 79 CO 0.82 -0.11 -0.00 0.08 -0.54 0.00 0.00 175.26 175.51 3bpd s VAL 80 N -0.17 0.08 -0.00 3.70 1.01 -1.26 -0.76 120.40 123.00 3bpd s VAL 80 Ca -0.03 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.02 3bpd s VAL 80 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3bpd s VAL 80 CO 0.02 0.05 -0.19 -0.69 0.00 0.00 0.00 175.10 174.29 3bpd s VAL 81 N 0.29 1.53 -0.13 2.92 1.01 0.10 -4.95 120.40 121.17 3bpd s VAL 81 Ca -0.02 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 3bpd s VAL 81 Cb -0.04 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3bpd s VAL 81 CO -0.01 0.38 0.46 0.00 0.00 0.00 0.00 175.10 175.93 3bpd s ALA 82 N -0.52 -1.16 0.00 5.51 0.00 -1.26 0.88 121.76 125.21 3bpd s ALA 82 Ca 0.07 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3bpd s ALA 82 Cb -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3bpd s ALA 82 CO -0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3bpd n GLY 83 N 2.28 0.81 0.14 0.00 0.00 -0.57 -4.84 105.19 103.01 3bpd n GLY 83 Ca -0.16 -2.01 0.06 0.00 0.00 0.00 0.00 46.02 43.92 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 6.23 0.00 -4.91 1.61 1.57 -1.91 -3.36 116.57 115.80 3bpd h LYS 84 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3bpd h LYS 84 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 3bpd h LYS 84 CO 0.00 0.21 -0.81 0.96 -0.57 0.00 0.00 179.45 179.24 3bpd s ILE 85 N -3.11 1.03 -0.18 1.86 -5.25 -1.26 -4.92 121.20 109.36 3bpd s ILE 85 Ca 0.02 -0.50 -0.29 0.00 -0.99 0.00 0.00 60.65 58.88 3bpd s ILE 85 Cb 0.08 -0.89 -0.03 0.00 2.95 0.00 0.00 42.46 44.56 3bpd s ILE 85 CO 0.75 0.31 1.57 -0.63 -1.79 0.00 0.00 174.94 175.15 3bpd s ILE 86 N 0.07 3.76 -0.26 8.37 -1.09 -1.26 -4.85 121.20 125.94 3bpd s ILE 86 Ca -0.02 0.88 -0.08 0.00 -2.23 0.00 0.00 60.65 59.21 3bpd s ILE 86 Cb -0.09 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3bpd s ILE 86 CO 0.01 -0.23 0.08 -0.69 -1.23 0.00 0.00 174.94 172.88 3bpd s VAL 87 N 4.71 4.33 0.22 2.92 1.01 -1.26 -5.08 120.40 127.24 3bpd s VAL 87 Ca 0.69 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 3bpd s VAL 87 Cb -0.26 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 3bpd s VAL 87 CO 0.27 0.29 0.70 -1.61 0.00 0.00 0.00 175.10 174.76 3bpd s GLU 88 N 1.61 4.20 0.58 2.72 0.41 -1.26 -4.96 118.70 121.99 3bpd s GLU 88 Ca 0.06 0.80 -0.18 0.00 -0.41 0.00 0.00 54.97 55.24 3bpd s GLU 88 Cb -0.15 -2.85 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 3bpd s GLU 88 CO 0.04 0.38 1.12 -1.54 -0.49 0.00 0.00 175.26 174.78 3bpd s SER 89 N -1.71 5.53 0.00 -0.19 1.04 -1.26 -5.26 113.70 111.85 3bpd s SER 89 Ca 0.43 2.12 0.28 0.00 0.48 0.00 0.00 55.95 59.27 3bpd s SER 89 Cb -0.16 -2.57 1.07 0.00 0.10 0.00 0.00 66.02 64.46 3bpd s SER 89 CO 0.20 -1.34 1.76 0.52 0.98 0.00 0.00 173.24 175.36