#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 4.08 0.20 1.04 1.43 -1.26 -5.02 118.68 119.15 3bpd s LEU 1 Ca 0.00 0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 53.33 3bpd s LEU 1 Cb 0.00 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.75 3bpd s LEU 1 CO 0.00 -0.19 1.02 -1.59 0.23 0.00 0.00 176.35 175.81 3bpd s LYS 2 N 1.95 1.40 1.58 1.70 -2.85 -1.25 -4.13 119.74 118.14 3bpd s LYS 2 Ca 0.19 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 3bpd s LYS 2 Cb -0.15 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 3bpd s LYS 2 CO 0.09 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 175.30 3bpd n GLY 3 N -0.69 -1.50 3.64 0.59 0.00 -1.25 0.30 105.19 106.28 3bpd n GLY 3 Ca -0.03 -1.27 -0.51 0.00 0.00 0.00 0.00 46.02 44.21 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 2.98 -0.09 0.99 4.77 -1.26 -1.46 117.00 122.94 3bpd n LEU 4 Ca 0.00 0.86 -0.10 0.00 -0.03 0.00 0.00 56.01 56.74 3bpd n LEU 4 Cb 0.00 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 39.66 3bpd n LEU 4 CO 0.00 -0.28 -1.07 0.54 -1.33 0.00 0.00 177.39 175.25 3bpd n ARG 5 N 6.76 1.11 -3.74 3.23 5.12 0.28 -1.10 116.66 128.32 3bpd n ARG 5 Ca 0.27 0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 56.09 3bpd n ARG 5 Cb 0.25 -1.41 -0.09 0.00 -1.16 0.00 0.00 32.46 30.05 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 -2.40 0.63 0.00 5.56 3.52 -0.67 0.43 118.95 126.02 3bpd s ARG 6 Ca -0.14 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 3bpd s ARG 6 Cb 0.06 0.29 -0.00 0.00 -1.56 0.00 0.00 34.95 33.73 3bpd s ARG 6 CO 0.60 -0.16 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.42 3bpd s LEU 7 N -0.89 2.04 -0.28 -0.88 1.43 0.18 -1.36 118.68 118.92 3bpd s LEU 7 Ca -0.10 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3bpd s LEU 7 Cb -0.04 -0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.24 3bpd s LEU 7 CO 0.04 -0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 175.81 3bpd s VAL 8 N -0.23 2.26 -0.09 -1.59 1.01 -0.39 -0.22 120.40 121.14 3bpd s VAL 8 Ca -0.02 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.22 3bpd s VAL 8 Cb -0.02 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3bpd s VAL 8 CO -0.00 -0.12 -0.04 -0.76 0.00 0.00 0.00 175.10 174.17 3bpd s LEU 9 N 1.08 3.30 -0.49 3.92 1.43 0.12 -0.52 118.68 127.52 3bpd s LEU 9 Ca -0.06 -0.00 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 3bpd s LEU 9 Cb -0.20 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.33 3bpd s LEU 9 CO -0.05 0.32 0.56 -0.62 0.23 0.00 0.00 176.35 176.79 3bpd s ASP 10 N -0.53 6.21 -0.06 2.29 3.68 0.71 -0.96 116.67 128.01 3bpd s ASP 10 Ca 0.08 -0.98 0.03 0.00 2.13 0.00 0.00 52.55 53.82 3bpd s ASP 10 Cb -0.12 -2.26 -0.02 0.00 -1.45 0.00 0.00 42.92 39.07 3bpd s ASP 10 CO 0.02 -0.81 -0.15 -0.69 0.13 0.00 0.00 175.17 173.67 3bpd s VAL 11 N 2.37 3.02 -0.18 1.11 1.01 -0.64 0.38 120.40 127.46 3bpd s VAL 11 Ca 0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3bpd s VAL 11 Cb -0.20 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3bpd s VAL 11 CO 0.11 0.58 -0.07 -0.22 0.00 0.00 0.00 175.10 175.51 3bpd s LEU 12 N -0.59 2.92 -0.05 3.92 2.96 -0.91 -1.06 118.68 125.87 3bpd s LEU 12 Ca 0.09 -0.32 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3bpd s LEU 12 Cb -0.11 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.89 3bpd s LEU 12 CO 0.01 0.07 0.32 -1.59 -1.32 0.00 0.00 176.35 173.84 3bpd s LYS 13 N 0.92 0.59 1.01 1.98 -2.85 -0.56 -2.76 119.74 118.06 3bpd s LYS 13 Ca -0.01 -0.00 -0.12 0.00 -1.00 0.00 0.00 55.97 54.84 3bpd s LYS 13 Cb -0.15 0.27 0.15 0.00 -2.06 0.00 0.00 37.83 36.04 3bpd s LYS 13 CO 0.01 -0.14 0.83 -2.30 0.10 0.00 0.00 175.35 173.84 3bpd n PRO 14 N 1.74 -1.04 -0.04 1.78 -0.02 -1.26 -1.08 135.00 135.08 3bpd n PRO 14 Ca -0.19 -0.26 -0.08 0.00 -2.02 0.00 0.00 63.50 60.95 3bpd n PRO 14 Cb 0.56 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 3bpd n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3bpd h HIS 15 N -2.04 -0.04 -2.80 6.00 3.86 -1.85 -3.42 115.15 114.87 3bpd h HIS 15 Ca -0.49 0.02 -0.65 0.00 -1.16 0.00 0.00 60.37 58.09 3bpd h HIS 15 Cb 1.30 0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.75 3bpd h HIS 15 CO 0.38 -0.05 -0.50 -1.21 0.86 0.00 0.00 177.93 177.41 3bpd s GLU 16 N -6.19 3.39 0.73 2.45 0.41 -1.26 -3.86 118.70 114.36 3bpd s GLU 16 Ca -0.13 -0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 54.04 3bpd s GLU 16 Cb 0.10 -3.10 0.03 0.00 -1.78 0.00 0.00 34.13 29.38 3bpd s GLU 16 CO 0.69 0.71 1.07 -1.25 -0.49 0.00 0.00 175.26 175.99 3bpd s PRO 17 N -1.59 2.65 1.12 0.39 0.04 -1.26 -4.95 135.00 131.39 3bpd s PRO 17 Ca 0.22 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 3bpd s PRO 17 Cb -0.12 -1.96 0.21 0.00 0.04 0.00 0.00 34.50 32.67 3bpd s PRO 17 CO 0.13 -1.31 0.74 1.63 0.04 0.00 0.00 177.00 178.23 3bpd n LYS 18 N -3.27 -1.86 0.07 4.56 4.76 -1.25 -4.86 118.16 116.30 3bpd n LYS 18 Ca 0.08 -0.51 -0.05 0.00 -2.87 0.00 0.00 58.31 54.96 3bpd n LYS 18 Cb 0.54 -2.06 0.14 0.00 -1.84 0.00 0.00 35.03 31.81 3bpd n LYS 18 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3bpd h THR 19 N -2.37 1.35 -0.05 -0.18 1.35 -1.96 -2.73 112.91 108.31 3bpd h THR 19 Ca -0.56 -1.79 0.02 0.00 -0.55 0.00 0.00 66.41 63.53 3bpd h THR 19 Cb 1.33 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3bpd h THR 19 CO 0.44 0.53 0.04 0.16 -0.25 0.00 0.00 175.52 176.45 3bpd h ILE 20 N 0.23 0.83 0.06 6.82 3.07 -2.00 -1.28 117.51 125.24 3bpd h ILE 20 Ca 0.01 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 3bpd h ILE 20 Cb 1.00 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 3bpd h ILE 20 CO 0.08 0.00 -0.03 0.58 -1.05 0.00 0.00 178.15 177.74 3bpd h VAL 21 N 0.00 1.18 -0.81 0.16 2.07 -1.83 -1.55 116.25 115.47 3bpd h VAL 21 Ca 0.03 -0.81 0.09 0.00 0.82 0.00 0.00 66.70 66.82 3bpd h VAL 21 Cb 0.11 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3bpd h VAL 21 CO -0.00 0.20 0.53 -0.26 0.02 0.00 0.00 177.57 178.06 3bpd h PHE 22 N -0.44 0.84 0.17 1.57 -1.00 -1.27 -1.25 116.94 115.56 3bpd h PHE 22 Ca -0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3bpd h PHE 22 Cb 0.39 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.68 3bpd h PHE 22 CO 0.05 0.41 -0.08 0.00 -1.61 0.00 0.00 178.31 177.07 3bpd h ALA 23 N 1.58 -0.22 -0.27 2.45 0.00 -1.31 -2.65 119.26 118.85 3bpd h ALA 23 Ca 0.37 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3bpd h ALA 23 Cb 0.37 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3bpd h ALA 23 CO -0.14 -0.32 -0.27 1.25 0.00 0.00 0.00 179.25 179.76 3bpd h LEU 24 N -0.83 -0.89 -0.74 0.00 5.85 -1.06 0.44 115.31 118.09 3bpd h LEU 24 Ca -0.02 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3bpd h LEU 24 Cb 0.53 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3bpd h LEU 24 CO 0.04 -0.30 0.37 0.11 -0.34 0.00 0.00 178.44 178.32 3bpd h LYS 25 N -0.27 1.06 -0.23 1.25 1.79 -1.34 -2.54 116.57 116.28 3bpd h LYS 25 Ca 0.14 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 3bpd h LYS 25 Cb 0.50 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3bpd h LYS 25 CO -0.42 0.82 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.33 3bpd h LEU 26 N 1.04 0.52 0.00 2.94 3.38 -0.99 -2.44 115.31 119.76 3bpd h LEU 26 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bpd h LEU 26 Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3bpd h LEU 26 CO -0.03 0.84 0.00 -1.54 0.09 0.00 0.00 178.44 177.80 3bpd n SER 27 N -4.05 0.00 -1.06 -0.43 3.41 0.15 -2.69 113.62 108.94 3bpd n SER 27 Ca -0.01 -0.26 0.08 0.00 -0.26 0.00 0.00 58.87 58.42 3bpd n SER 27 Cb 0.48 -0.16 0.28 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.16 3.28 -3.39 4.33 1.02 -0.92 -4.90 120.64 118.90 3bpd n GLU 28 Ca 0.11 -2.83 -0.33 0.00 -0.02 0.00 0.00 57.16 54.09 3bpd n GLU 28 Cb 0.11 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.61 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 -2.63 4.23 0.03 -4.62 1.43 -1.10 -5.03 118.68 111.00 3bpd s LEU 29 Ca 0.43 0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.43 3bpd s LEU 29 Cb 0.33 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 3bpd s LEU 29 CO 0.11 -0.01 1.14 -0.33 0.23 0.00 0.00 176.35 177.49 3bpd h GLU 30 N 2.93 -0.17 -0.89 1.70 5.08 -1.92 -3.01 114.58 118.30 3bpd h GLU 30 Ca -0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3bpd h GLU 30 Cb 1.18 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3bpd h GLU 30 CO 0.68 -0.11 0.00 0.27 -1.00 0.00 0.00 179.01 178.84 3bpd n ASN 31 N -3.21 0.74 -4.30 1.42 0.23 -1.26 -4.76 115.26 104.12 3bpd n ASN 31 Ca -0.02 -0.82 -0.34 0.00 -0.53 0.00 0.00 54.58 52.87 3bpd n ASN 31 Cb 0.10 -0.20 -0.14 0.00 -2.08 0.00 0.00 39.78 37.45 3bpd n ASN 31 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3bpd s VAL 32 N -0.35 3.06 0.05 3.53 1.01 -1.14 -1.29 120.40 125.27 3bpd s VAL 32 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3bpd s VAL 32 Cb 0.00 -2.34 -0.27 0.00 0.00 0.00 0.00 36.38 33.77 3bpd s VAL 32 CO 0.00 0.48 1.02 0.44 0.00 0.00 0.00 175.10 177.04 3bpd h ASP 33 N 7.58 0.34 -4.82 3.32 5.19 -1.49 -3.46 116.42 123.07 3bpd h ASP 33 Ca -0.37 -0.41 0.26 0.00 -0.62 0.00 0.00 57.03 55.89 3bpd h ASP 33 Cb 1.18 -0.11 -0.16 0.00 0.18 0.00 0.00 39.33 40.42 3bpd h ASP 33 CO 0.59 1.33 0.77 -0.83 -3.12 0.00 0.00 179.24 177.99 3bpd s GLY 34 N -4.80 -0.34 -0.02 2.75 0.00 -1.14 -5.03 107.32 98.74 3bpd s GLY 34 Ca -0.05 1.18 -0.02 0.00 0.00 0.00 0.00 44.72 45.82 3bpd s GLY 34 CO 0.86 0.35 0.06 0.14 0.00 0.00 0.00 173.10 174.52 3bpd s VAL 35 N -2.53 0.01 -0.08 1.40 1.01 -1.26 -1.64 120.40 117.31 3bpd s VAL 35 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3bpd s VAL 35 Cb 0.01 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.28 3bpd s VAL 35 CO -0.04 -0.05 -0.12 0.21 0.00 0.00 0.00 175.10 175.10 3bpd s ASN 36 N -0.13 1.94 -0.20 3.32 3.84 -0.62 -5.00 114.94 118.10 3bpd s ASN 36 Ca -0.02 -0.32 -0.03 0.00 0.21 0.00 0.00 52.86 52.71 3bpd s ASN 36 Cb -0.01 -0.86 -0.01 0.00 -0.55 0.00 0.00 41.25 39.81 3bpd s ASN 36 CO 0.00 0.00 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.61 3bpd s ILE 37 N 0.91 3.18 -0.25 -5.21 -1.09 -1.26 -0.85 121.20 116.63 3bpd s ILE 37 Ca -0.10 -0.57 -0.04 0.00 -2.23 0.00 0.00 60.65 57.72 3bpd s ILE 37 Cb -0.15 -2.42 0.01 0.00 -1.58 0.00 0.00 42.46 38.32 3bpd s ILE 37 CO 0.01 0.46 -0.02 -2.28 -1.23 0.00 0.00 174.94 171.88 3bpd s HIS 38 N 1.24 3.05 -0.40 3.97 5.65 0.57 -4.93 115.29 124.44 3bpd s HIS 38 Ca 0.03 -1.19 -0.29 0.00 0.25 0.00 0.00 55.06 53.86 3bpd s HIS 38 Cb -0.14 -2.13 0.01 0.00 -1.18 0.00 0.00 32.58 29.13 3bpd s HIS 38 CO -0.03 -0.63 1.46 -1.17 -0.65 0.00 0.00 174.74 173.73 3bpd s LEU 39 N 1.42 3.57 -0.00 8.88 2.96 -1.26 0.34 118.68 134.59 3bpd s LEU 39 Ca 0.03 0.88 -0.00 0.00 -0.22 0.00 0.00 54.13 54.82 3bpd s LEU 39 Cb -0.16 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 3bpd s LEU 39 CO -0.02 -1.48 0.14 0.28 -1.32 0.00 0.00 176.35 173.95 3bpd h SER 40 N 11.01 -0.00 -4.67 3.68 0.02 -0.73 -3.48 113.55 119.37 3bpd h SER 40 Ca -0.28 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.42 3bpd h SER 40 Cb 1.11 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.48 3bpd h SER 40 CO 1.08 0.01 -0.71 -0.70 -1.14 0.00 0.00 176.83 175.36 3bpd s GLU 41 N -1.28 0.72 -0.13 3.45 2.12 -1.03 -5.00 118.70 117.55 3bpd s GLU 41 Ca -0.00 -1.11 0.03 0.00 0.36 0.00 0.00 54.97 54.25 3bpd s GLU 41 Cb 0.00 -0.25 0.01 0.00 0.26 0.00 0.00 34.13 34.15 3bpd s GLU 41 CO 0.00 0.01 -0.22 0.42 -0.54 0.00 0.00 175.26 174.94 3bpd s ILE 42 N -2.74 1.98 0.44 -3.70 1.01 -1.26 -0.65 121.20 116.27 3bpd s ILE 42 Ca 0.03 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3bpd s ILE 42 Cb -0.01 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.75 3bpd s ILE 42 CO -0.03 0.54 0.28 0.47 0.00 0.00 0.00 174.94 176.20 3bpd n ASP 43 N 3.95 2.54 -0.29 3.58 9.92 -0.21 -5.00 116.55 131.04 3bpd n ASP 43 Ca -0.20 -2.58 0.15 0.00 -0.53 0.00 0.00 54.79 51.64 3bpd n ASP 43 Cb 0.52 0.02 0.41 0.00 -0.64 0.00 0.00 41.12 41.43 3bpd n ASP 43 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3bpd h GLN 44 N 0.00 0.59 0.00 -1.24 4.20 -2.03 -3.29 115.11 113.34 3bpd h GLN 44 Ca -0.29 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3bpd h GLN 44 Cb 1.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3bpd h GLN 44 CO 0.46 0.39 0.00 0.00 -0.67 0.00 0.00 178.83 179.01 3bpd n ALA 45 N -2.43 0.50 -4.39 3.87 0.00 -1.26 -5.06 120.51 111.73 3bpd n ALA 45 Ca 0.20 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 3bpd n ALA 45 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 3bpd n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bpd n THR 46 N -0.23 0.00 -3.76 0.00 -2.24 -1.24 -3.18 114.28 103.63 3bpd n THR 46 Ca 0.00 -1.68 -0.13 0.00 -2.27 0.00 0.00 64.05 59.97 3bpd n THR 46 Cb 0.01 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 3bpd n THR 46 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bpd s GLU 47 N -3.21 0.63 -0.18 -0.78 2.02 -0.24 -1.04 118.70 115.91 3bpd s GLU 47 Ca 0.06 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 54.93 3bpd s GLU 47 Cb 0.00 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.54 3bpd s GLU 47 CO 0.04 -0.17 -0.16 -0.80 0.02 0.00 0.00 175.26 174.19 3bpd s ASN 48 N -1.17 3.12 0.17 -0.19 0.01 0.17 -1.50 114.94 115.56 3bpd s ASN 48 Ca -0.12 -0.68 0.09 0.00 -0.71 0.00 0.00 52.86 51.43 3bpd s ASN 48 Cb -0.05 -1.37 -0.04 0.00 0.41 0.00 0.00 41.25 40.20 3bpd s ASN 48 CO 0.04 -0.05 -0.18 0.27 -1.51 0.00 0.00 177.10 175.67 3bpd s ILE 49 N 1.35 1.84 -0.31 0.60 -4.36 -0.22 0.04 121.20 120.14 3bpd s ILE 49 Ca 0.03 -1.93 -0.06 0.00 -0.26 0.00 0.00 60.65 58.43 3bpd s ILE 49 Cb -0.14 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.74 3bpd s ILE 49 CO -0.11 -0.31 0.08 -0.75 0.24 0.00 0.00 174.94 174.09 3bpd s LYS 50 N -2.81 2.90 -0.30 0.37 2.47 0.15 -1.62 119.74 120.91 3bpd s LYS 50 Ca 0.16 -0.98 -0.10 0.00 -1.56 0.00 0.00 55.97 53.49 3bpd s LYS 50 Cb -0.06 -3.38 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3bpd s LYS 50 CO 0.07 -0.52 0.16 0.42 0.16 0.00 0.00 175.35 175.64 3bpd s ILE 51 N 1.45 4.86 -0.34 5.43 1.01 -0.13 -0.31 121.20 133.17 3bpd s ILE 51 Ca 0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 3bpd s ILE 51 Cb -0.18 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 38.93 3bpd s ILE 51 CO 0.02 0.16 0.12 -0.89 0.00 0.00 0.00 174.94 174.34 3bpd s THR 52 N 1.67 3.88 -0.26 2.92 2.01 -0.03 0.13 115.64 125.96 3bpd s THR 52 Ca 0.06 -1.10 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 3bpd s THR 52 Cb -0.16 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 3bpd s THR 52 CO 0.08 -0.19 0.05 -0.63 -0.69 0.00 0.00 174.62 173.24 3bpd s ILE 53 N 1.42 3.96 -0.09 1.82 1.01 0.69 -1.58 121.20 128.42 3bpd s ILE 53 Ca -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 3bpd s ILE 53 Cb -0.19 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3bpd s ILE 53 CO 0.03 0.24 0.11 -0.22 0.00 0.00 0.00 174.94 175.11 3bpd s LEU 54 N 1.54 4.19 0.00 2.97 2.96 -0.65 -0.65 118.68 129.04 3bpd s LEU 54 Ca 0.05 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3bpd s LEU 54 Cb -0.16 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.44 3bpd s LEU 54 CO 0.02 0.38 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 3bpd n GLY 55 N 1.84 1.91 3.64 7.98 0.00 0.17 -1.30 105.19 119.43 3bpd n GLY 55 Ca -0.18 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.99 0.00 1.61 3.84 -0.41 -4.76 114.94 116.23 3bpd s ASN 56 Ca 0.00 1.49 0.00 0.00 0.21 0.00 0.00 52.86 54.56 3bpd s ASN 56 Cb 0.00 1.71 0.00 0.00 -0.55 0.00 0.00 41.25 42.41 3bpd s ASN 56 CO 0.00 -0.22 0.00 -3.20 -2.79 0.00 0.00 177.10 170.89 3bpd n ASN 57 N 4.70 -2.17 0.00 -4.21 5.15 0.15 -4.75 115.26 114.13 3bpd n ASN 57 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 3bpd n ASN 57 Cb 0.55 -2.35 0.00 0.00 -0.53 0.00 0.00 39.78 37.45 3bpd n ASN 57 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3bpd n LEU 58 N 0.00 0.00 -4.31 1.20 4.77 -0.26 -4.32 117.00 114.08 3bpd n LEU 58 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 3bpd n LEU 58 Cb 0.18 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 3bpd n LEU 58 CO 0.00 0.00 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.29 3bpd s ASP 59 N 0.00 5.63 0.08 -1.43 3.68 -1.26 -4.51 116.67 118.85 3bpd s ASP 59 Ca 0.00 -1.26 -0.25 0.00 2.13 0.00 0.00 52.55 53.17 3bpd s ASP 59 Cb 0.00 -1.98 -0.16 0.00 -1.45 0.00 0.00 42.92 39.32 3bpd s ASP 59 CO 0.00 -0.45 1.67 0.22 0.13 0.00 0.00 175.17 176.74 3bpd h TYR 60 N 8.39 -0.17 -0.95 -5.34 3.20 -1.99 -0.27 116.97 119.84 3bpd h TYR 60 Ca -0.24 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 61.80 3bpd h TYR 60 Cb 1.09 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 39.31 3bpd h TYR 60 CO 0.59 -0.07 0.55 0.93 -1.64 0.00 0.00 178.16 178.53 3bpd h GLU 61 N -0.23 0.70 -0.02 1.82 4.39 -1.98 0.44 114.58 119.70 3bpd h GLU 61 Ca -0.02 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bpd h GLU 61 Cb 0.18 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3bpd h GLU 61 CO 0.03 0.46 -0.01 0.37 -1.16 0.00 0.00 179.01 178.71 3bpd h GLN 62 N 0.72 0.03 -0.88 2.33 4.15 -1.89 -1.99 115.11 117.58 3bpd h GLN 62 Ca 0.54 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.93 3bpd h GLN 62 Cb 0.82 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 3bpd h GLN 62 CO -0.38 0.44 0.49 0.82 -1.93 0.00 0.00 178.83 178.26 3bpd h ILE 63 N -0.37 1.25 -0.34 2.39 2.04 -0.07 -1.30 117.51 121.12 3bpd h ILE 63 Ca 0.00 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3bpd h ILE 63 Cb 0.43 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3bpd h ILE 63 CO 0.00 0.28 0.03 0.50 0.00 0.00 0.00 178.15 178.97 3bpd h LYS 64 N 1.23 0.51 0.09 2.37 3.64 -0.15 -2.51 116.57 121.74 3bpd h LYS 64 Ca 0.31 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3bpd h LYS 64 Cb 0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3bpd h LYS 64 CO -0.05 0.52 -0.04 0.78 -2.27 0.00 0.00 179.45 178.38 3bpd h GLY 65 N 0.79 -0.12 0.26 5.01 0.00 -0.50 -0.39 103.07 108.12 3bpd h GLY 65 Ca 0.11 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.62 3bpd h GLY 65 CO 0.00 -0.05 0.37 -2.08 0.00 0.00 0.00 176.54 174.79 3bpd h VAL 66 N -0.64 0.74 -0.30 4.60 2.07 -1.23 0.18 116.25 121.66 3bpd h VAL 66 Ca -0.01 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3bpd h VAL 66 Cb 0.51 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3bpd h VAL 66 CO 0.02 0.10 -0.15 0.40 0.02 0.00 0.00 177.57 177.96 3bpd h ILE 67 N 0.56 1.24 0.00 4.57 2.04 -1.43 -3.03 117.51 121.45 3bpd h ILE 67 Ca 0.42 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3bpd h ILE 67 Cb 0.57 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3bpd h ILE 67 CO -0.35 0.36 -0.29 -0.33 0.00 0.00 0.00 178.15 177.54 3bpd h GLU 68 N 0.49 0.00 -1.90 2.37 5.08 0.94 0.03 114.58 121.60 3bpd h GLU 68 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 3bpd h GLU 68 Cb 0.55 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3bpd h GLU 68 CO 0.03 0.13 0.04 -0.25 -1.00 0.00 0.00 179.01 177.96 3bpd n ASP 69 N -3.07 5.65 -0.00 1.42 8.00 0.38 -4.40 116.55 124.53 3bpd n ASP 69 Ca 0.03 -2.62 0.03 0.00 0.71 0.00 0.00 54.79 52.93 3bpd n ASP 69 Cb 0.59 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 40.47 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 1.41 0.31 3.67 0.44 0.00 -1.25 -5.10 105.19 104.67 3bpd n GLY 71 Ca 0.19 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.70 1.65 -0.28 -0.02 0.00 -0.00 -4.45 107.32 102.52 3bpd s GLY 72 Ca 0.03 -1.12 -0.21 0.00 0.00 0.00 0.00 44.72 43.42 3bpd s GLY 72 CO 0.30 -0.21 0.86 0.54 0.00 0.00 0.00 173.10 174.59 3bpd s VAL 73 N -3.26 0.00 -0.46 1.40 0.11 -1.11 -4.42 120.40 112.65 3bpd s VAL 73 Ca 0.73 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.57 3bpd s VAL 73 Cb -0.07 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3bpd s VAL 73 CO 0.55 0.00 0.69 -0.63 -3.33 0.00 0.00 175.10 172.38 3bpd s ILE 74 N 0.86 4.77 -0.01 7.04 1.01 -1.26 -2.14 121.20 131.46 3bpd s ILE 74 Ca -0.04 0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.79 3bpd s ILE 74 Cb -0.05 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 3bpd s ILE 74 CO -0.10 -0.70 1.30 0.45 0.00 0.00 0.00 174.94 175.88 3bpd h HIS 75 N 8.96 0.00 -1.22 3.97 3.86 -0.45 -3.48 115.15 126.78 3bpd h HIS 75 Ca -0.26 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.12 3bpd h HIS 75 Cb 1.09 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.27 3bpd h HIS 75 CO 0.76 0.78 0.79 -1.54 0.86 0.00 0.00 177.93 179.57 3bpd s SER 76 N -6.53 -0.16 -0.55 2.45 1.04 -1.15 -4.98 113.70 103.82 3bpd s SER 76 Ca 0.02 0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 3bpd s SER 76 Cb 0.09 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.53 3bpd s SER 76 CO 0.79 -0.09 0.63 -0.69 0.98 0.00 0.00 173.24 174.86 3bpd s VAL 77 N -0.43 4.91 0.05 5.02 1.01 -1.26 -0.21 120.40 129.49 3bpd s VAL 77 Ca 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3bpd s VAL 77 Cb -0.03 -4.39 -0.29 0.00 0.00 0.00 0.00 36.38 31.67 3bpd s VAL 77 CO -0.09 -0.97 1.05 0.44 0.00 0.00 0.00 175.10 175.53 3bpd h ASP 78 N 9.07 0.44 -3.51 3.32 3.32 -1.18 -3.46 116.42 124.42 3bpd h ASP 78 Ca -0.29 -0.50 -0.18 0.00 0.02 0.00 0.00 57.03 56.08 3bpd h ASP 78 Cb 1.09 -0.14 -0.28 0.00 0.22 0.00 0.00 39.33 40.22 3bpd h ASP 78 CO 1.04 1.40 -0.47 -0.70 -1.72 0.00 0.00 179.24 178.79 3bpd s GLU 79 N -2.64 0.23 -0.07 3.56 2.12 -1.21 -5.00 118.70 115.70 3bpd s GLU 79 Ca -0.06 0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.76 3bpd s GLU 79 Cb 0.07 -0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.44 3bpd s GLU 79 CO 0.88 -0.12 -0.14 0.08 -0.54 0.00 0.00 175.26 175.42 3bpd s VAL 80 N 0.88 1.24 -0.18 3.70 1.01 -1.26 -1.26 120.40 124.52 3bpd s VAL 80 Ca -0.06 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3bpd s VAL 80 Cb -0.07 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.21 3bpd s VAL 80 CO -0.06 0.38 -0.14 -0.69 0.00 0.00 0.00 175.10 174.59 3bpd s VAL 81 N 0.63 1.79 0.01 2.92 1.01 -0.46 -5.00 120.40 121.28 3bpd s VAL 81 Ca -0.15 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3bpd s VAL 81 Cb -0.16 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3bpd s VAL 81 CO 0.04 0.36 -0.12 0.00 0.00 0.00 0.00 175.10 175.38 3bpd s ALA 82 N 1.37 0.98 0.00 5.51 0.00 -1.26 0.10 121.76 128.46 3bpd s ALA 82 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3bpd s ALA 82 Cb -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3bpd s ALA 82 CO -0.10 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3bpd n GLY 83 N 2.52 0.97 0.11 0.00 0.00 -0.53 -4.89 105.19 103.38 3bpd n GLY 83 Ca -0.15 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 3bpd n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bpd n LYS 84 N 0.00 0.69 -4.77 1.61 5.02 -1.26 -3.86 118.16 115.58 3bpd n LYS 84 Ca 0.00 0.25 -0.33 0.00 -2.02 0.00 0.00 58.31 56.21 3bpd n LYS 84 Cb 0.00 -1.72 -0.14 0.00 -0.02 0.00 0.00 35.03 33.15 3bpd n LYS 84 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bpd s ILE 85 N -2.57 3.12 -0.13 -0.18 -1.09 -1.26 -4.88 121.20 114.20 3bpd s ILE 85 Ca -0.14 -0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 57.34 3bpd s ILE 85 Cb 0.07 -2.30 -0.06 0.00 -1.58 0.00 0.00 42.46 38.60 3bpd s ILE 85 CO 0.79 0.54 1.97 -0.63 -1.23 0.00 0.00 174.94 176.38 3bpd s ILE 86 N 0.12 3.19 -0.16 2.92 -1.09 -1.26 -4.92 121.20 120.00 3bpd s ILE 86 Ca -0.06 0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 3bpd s ILE 86 Cb -0.15 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3bpd s ILE 86 CO 0.05 -0.08 0.03 -0.69 -1.23 0.00 0.00 174.94 173.01 3bpd s VAL 87 N 6.16 4.51 0.22 2.92 1.01 -1.26 -5.10 120.40 128.86 3bpd s VAL 87 Ca 0.89 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.74 3bpd s VAL 87 Cb -0.34 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3bpd s VAL 87 CO 0.36 0.49 0.38 -1.61 0.00 0.00 0.00 175.10 174.72 3bpd s GLU 88 N 0.19 3.48 0.26 2.72 0.41 -1.26 -4.93 118.70 119.57 3bpd s GLU 88 Ca 0.02 -0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 3bpd s GLU 88 Cb -0.13 -2.86 -0.09 0.00 -1.78 0.00 0.00 34.13 29.27 3bpd s GLU 88 CO 0.01 0.40 1.07 0.45 -0.49 0.00 0.00 175.26 176.70 3bpd s SER 89 N -3.51 7.35 0.00 -0.19 0.15 -1.26 -5.24 113.70 111.01 3bpd s SER 89 Ca 0.37 2.19 0.25 0.00 0.70 0.00 0.00 55.95 59.46 3bpd s SER 89 Cb -0.10 -2.62 0.45 0.00 -1.71 0.00 0.00 66.02 62.04 3bpd s SER 89 CO 0.30 -0.09 1.41 0.52 1.20 0.00 0.00 173.24 176.58