#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam s TYR 2 N 0.00 1.89 0.30 2.03 1.51 -1.26 -4.38 117.35 117.44 2qam s TYR 2 Ca 0.00 -0.59 -0.19 0.00 -1.01 0.00 0.00 57.07 55.28 2qam s TYR 2 Cb 0.00 -0.95 0.05 0.00 -0.11 0.00 0.00 41.96 40.95 2qam s TYR 2 CO 0.00 0.38 0.81 0.00 -1.11 0.00 0.00 175.55 175.63 2qam s ALA 3 N -2.92 -1.10 -0.29 3.71 0.00 -1.11 -3.77 121.76 116.28 2qam s ALA 3 Ca 0.26 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 2qam s ALA 3 Cb 0.00 0.74 0.14 0.00 0.00 0.00 0.00 23.12 24.00 2qam s ALA 3 CO 0.10 -1.02 0.97 0.14 0.00 0.00 0.00 175.76 175.95 2qam s VAL 4 N -2.96 0.00 -0.23 0.00 -7.23 -1.05 -3.72 120.40 105.21 2qam s VAL 4 Ca 0.14 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.03 2qam s VAL 4 Cb -0.05 -1.00 0.15 0.00 0.56 0.00 0.00 36.38 36.04 2qam s VAL 4 CO 0.08 0.00 1.13 0.72 -0.31 0.00 0.00 175.10 176.72 2qam s PHE 5 N 1.10 -0.30 -0.60 2.82 -0.71 -1.24 -2.03 117.98 117.01 2qam s PHE 5 Ca -0.06 0.62 -0.26 0.00 -1.04 0.00 0.00 56.93 56.18 2qam s PHE 5 Cb -0.04 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 2qam s PHE 5 CO -0.13 -0.22 2.11 -1.14 -1.34 0.00 0.00 175.22 174.50 2qam s GLN 6 N -0.57 2.35 0.00 1.99 2.00 -1.26 -3.08 119.66 121.09 2qam s GLN 6 Ca 0.03 0.84 0.00 0.00 -2.00 0.00 0.00 55.36 54.22 2qam s GLN 6 Cb -0.02 -4.54 0.00 0.00 0.80 0.00 0.00 33.01 29.25 2qam s GLN 6 CO -0.04 -3.10 0.20 -1.13 -0.50 0.00 0.00 175.29 170.72 2qam n SER 7 N 14.42 0.00 -0.05 6.67 3.41 0.27 -4.84 113.62 133.50 2qam n SER 7 Ca 0.30 0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 59.04 2qam n SER 7 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2qam n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qam n GLY 8 N 1.00 -0.39 0.00 5.00 0.00 -1.26 -4.75 105.19 104.78 2qam n GLY 8 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2qam n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 9 N 2.06 1.00 3.41 -0.02 0.00 -1.26 -4.96 105.19 105.42 2qam n GLY 9 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2qam n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s LYS 10 N 0.00 1.50 0.27 1.61 3.01 -1.26 -5.07 119.74 119.81 2qam s LYS 10 Ca 0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 55.97 53.25 2qam s LYS 10 Cb 0.00 -1.29 0.05 0.00 -1.01 0.00 0.00 37.83 35.58 2qam s LYS 10 CO 0.00 0.16 0.38 1.04 0.51 0.00 0.00 175.35 177.43 2qam n GLN 11 N -0.52 0.39 -3.64 1.68 6.02 -1.25 0.94 117.38 120.99 2qam n GLN 11 Ca -0.06 -1.06 -0.08 0.00 -0.01 0.00 0.00 57.00 55.79 2qam n GLN 11 Cb 0.62 -0.24 -0.07 0.00 1.02 0.00 0.00 30.24 31.57 2qam n GLN 11 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2qam s HIS 12 N -0.97 -0.89 -1.14 1.08 3.76 -1.18 -4.74 115.29 111.21 2qam s HIS 12 Ca 0.25 1.88 -0.04 0.00 -0.15 0.00 0.00 55.06 57.00 2qam s HIS 12 Cb -0.01 0.48 0.26 0.00 1.11 0.00 0.00 32.58 34.42 2qam s HIS 12 CO 0.17 -0.44 1.81 -2.13 -0.85 0.00 0.00 174.74 173.30 2qam n ARG 13 N 3.66 4.64 -2.52 1.40 0.63 -1.24 -2.52 116.66 120.71 2qam n ARG 13 Ca -0.18 -4.22 -0.30 0.00 -0.92 0.00 0.00 57.85 52.23 2qam n ARG 13 Cb 0.58 -2.59 -0.02 0.00 0.45 0.00 0.00 32.46 30.88 2qam n ARG 13 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qam s VAL 14 N -2.40 4.76 0.46 5.15 0.11 -1.26 -4.71 120.40 122.51 2qam s VAL 14 Ca 0.39 0.66 0.03 0.00 -2.93 0.00 0.00 61.98 60.12 2qam s VAL 14 Cb 0.12 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 2qam s VAL 14 CO -0.01 -0.76 0.05 -0.94 -3.33 0.00 0.00 175.10 170.10 2qam s SER 15 N -3.60 3.55 -0.26 3.54 1.04 -1.26 -2.75 113.70 113.96 2qam s SER 15 Ca 0.52 -1.63 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 2qam s SER 15 Cb -0.10 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 2qam s SER 15 CO 0.39 -0.84 1.51 -1.61 0.98 0.00 0.00 173.24 173.68 2qam s GLU 16 N -3.80 3.81 0.00 4.02 0.41 -1.26 -3.66 118.70 118.22 2qam s GLU 16 Ca 0.16 1.49 0.00 0.00 -0.41 0.00 0.00 54.97 56.21 2qam s GLU 16 Cb 0.03 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.39 2qam s GLU 16 CO 0.09 -1.27 0.00 0.41 -0.49 0.00 0.00 175.26 174.00 2qam n GLY 17 N 4.59 2.65 3.66 -1.39 0.00 -0.92 -5.03 105.19 108.75 2qam n GLY 17 Ca 0.17 -0.77 -0.55 0.00 0.00 0.00 0.00 46.02 44.87 2qam n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLN 18 N 0.00 1.18 -3.38 1.61 10.64 -1.24 -4.65 117.38 121.55 2qam n GLN 18 Ca 0.00 0.43 -0.38 0.00 -1.83 0.00 0.00 57.00 55.22 2qam n GLN 18 Cb 0.00 -2.10 -0.06 0.00 -0.86 0.00 0.00 30.24 27.22 2qam n GLN 18 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2qam s THR 19 N 2.37 5.04 0.32 -0.39 -1.32 -1.23 -4.43 115.64 115.99 2qam s THR 19 Ca 0.93 0.96 0.06 0.00 -1.21 0.00 0.00 61.69 62.43 2qam s THR 19 Cb -1.01 -3.79 -0.06 0.00 -1.51 0.00 0.00 72.50 66.12 2qam s THR 19 CO 0.58 0.47 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.74 2qam s VAL 20 N -0.36 1.66 -0.03 5.08 1.01 0.14 -4.94 120.40 122.97 2qam s VAL 20 Ca 0.26 -2.09 0.06 0.00 0.00 0.00 0.00 61.98 60.21 2qam s VAL 20 Cb -0.17 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2qam s VAL 20 CO 0.13 -0.18 -0.21 0.00 0.00 0.00 0.00 175.10 174.85 2qam s ARG 21 N -3.75 1.81 0.29 2.72 1.70 -1.26 -0.26 118.95 120.20 2qam s ARG 21 Ca 0.32 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.87 2qam s ARG 21 Cb 0.06 -1.68 -0.01 0.00 -0.57 0.00 0.00 34.95 32.75 2qam s ARG 21 CO 0.14 0.40 0.07 1.28 -1.08 0.00 0.00 175.30 176.11 2qam n LEU 22 N 2.74 0.00 -4.67 -1.89 4.77 -0.71 -4.98 117.00 112.26 2qam n LEU 22 Ca -0.16 -2.05 -0.42 0.00 -0.03 0.00 0.00 56.01 53.34 2qam n LEU 22 Cb 0.53 0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 42.14 2qam n LEU 22 CO 0.24 -0.31 1.23 -1.61 -1.33 0.00 0.00 177.39 175.61 2qam s GLU 23 N -3.07 4.22 0.00 3.23 0.41 -1.26 -2.69 118.70 119.54 2qam s GLU 23 Ca 0.10 1.99 0.00 0.00 -0.41 0.00 0.00 54.97 56.65 2qam s GLU 23 Cb 0.00 -3.82 0.00 0.00 -1.78 0.00 0.00 34.13 28.54 2qam s GLU 23 CO 0.07 -0.74 0.00 1.17 -0.49 0.00 0.00 175.26 175.27 2qam n LYS 24 N 6.53 0.00 -3.10 1.61 4.81 -1.26 -4.63 118.16 122.12 2qam n LYS 24 Ca 0.15 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.20 2qam n LYS 24 Cb 0.43 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 2qam n LYS 24 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2qam s LEU 25 N 0.00 4.36 -1.33 3.14 2.01 -1.26 -4.97 118.68 120.63 2qam s LEU 25 Ca 0.00 1.19 -0.17 0.00 0.01 0.00 0.00 54.13 55.16 2qam s LEU 25 Cb 0.00 -3.03 0.05 0.00 0.01 0.00 0.00 46.19 43.22 2qam s LEU 25 CO 0.00 -0.03 1.90 -0.67 1.01 0.00 0.00 176.35 178.57 2qam n ASP 26 N 3.33 4.47 -3.95 2.29 -0.08 -1.26 -4.88 116.55 116.47 2qam n ASP 26 Ca -0.03 -2.88 -0.10 0.00 -1.51 0.00 0.00 54.79 50.27 2qam n ASP 26 Cb 0.51 -1.71 -0.11 0.00 2.34 0.00 0.00 41.12 42.16 2qam n ASP 26 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2qam s ILE 27 N 4.26 0.10 1.01 5.18 -1.09 -1.26 -5.15 121.20 124.25 2qam s ILE 27 Ca 0.53 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.94 2qam s ILE 27 Cb 0.07 -0.31 -0.02 0.00 -1.58 0.00 0.00 42.46 40.61 2qam s ILE 27 CO 0.03 -0.46 -0.25 0.00 -1.23 0.00 0.00 174.94 173.03 2qam n ALA 28 N 1.56 -4.12 0.29 9.38 0.00 -1.26 -4.83 120.51 121.53 2qam n ALA 28 Ca -0.24 -0.90 0.15 0.00 0.00 0.00 0.00 53.44 52.45 2qam n ALA 28 Cb 0.55 -1.44 0.87 0.00 0.00 0.00 0.00 19.45 19.43 2qam n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qam h THR 29 N -1.48 0.49 -2.25 0.00 2.02 -1.99 -3.34 112.91 106.36 2qam h THR 29 Ca -0.45 -0.20 -0.56 0.00 0.77 0.00 0.00 66.41 65.97 2qam h THR 29 Cb 1.32 1.13 -0.36 0.00 -1.74 0.00 0.00 68.15 68.50 2qam h THR 29 CO 0.31 0.04 -0.95 0.61 0.37 0.00 0.00 175.52 175.90 2qam n GLY 30 N -1.05 1.94 3.10 2.16 0.00 -1.26 -3.85 105.19 106.22 2qam n GLY 30 Ca -0.03 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 2qam n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qam s GLU 31 N 0.09 0.57 -0.40 1.61 -6.30 -1.26 -4.96 118.70 108.06 2qam s GLU 31 Ca 0.33 -0.84 -0.18 0.00 -2.50 0.00 0.00 54.97 51.78 2qam s GLU 31 Cb 0.04 0.22 0.01 0.00 0.00 0.00 0.00 34.13 34.40 2qam s GLU 31 CO -0.19 -0.13 0.51 0.99 0.02 0.00 0.00 175.26 176.46 2qam s THR 32 N -2.78 5.00 -0.10 -1.70 2.01 -1.26 -1.96 115.64 114.85 2qam s THR 32 Ca -0.04 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.82 2qam s THR 32 Cb -0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2qam s THR 32 CO -0.05 -0.39 0.35 0.68 -0.69 0.00 0.00 174.62 174.51 2qam s VAL 33 N 2.38 5.22 -0.18 3.82 -7.23 0.62 -4.88 120.40 120.15 2qam s VAL 33 Ca 0.17 0.68 -0.08 0.00 -1.81 0.00 0.00 61.98 60.93 2qam s VAL 33 Cb -0.16 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 2qam s VAL 33 CO 0.15 0.46 0.09 -1.61 -0.31 0.00 0.00 175.10 173.88 2qam s GLU 34 N -0.16 3.98 -0.74 4.82 2.02 -1.26 -1.84 118.70 125.51 2qam s GLU 34 Ca 0.20 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 54.94 2qam s GLU 34 Cb -0.14 -3.27 0.18 0.00 0.10 0.00 0.00 34.13 30.99 2qam s GLU 34 CO 0.08 0.34 0.55 -0.06 0.02 0.00 0.00 175.26 176.20 2qam s PHE 35 N 0.20 3.63 -0.38 1.61 0.08 0.31 -4.94 117.98 118.49 2qam s PHE 35 Ca 0.06 -3.21 -0.02 0.00 0.12 0.00 0.00 56.93 53.89 2qam s PHE 35 Cb -0.12 -2.90 0.15 0.00 -0.57 0.00 0.00 43.02 39.58 2qam s PHE 35 CO -0.00 -0.63 2.34 0.00 -0.10 0.00 0.00 175.22 176.82 2qam n ALA 36 N 2.26 5.69 -2.12 5.36 0.00 -1.26 -1.04 120.51 129.39 2qam n ALA 36 Ca 0.18 -2.25 0.03 0.00 0.00 0.00 0.00 53.44 51.41 2qam n ALA 36 Cb 0.35 -1.70 0.10 0.00 0.00 0.00 0.00 19.45 18.21 2qam n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qam n GLU 37 N 0.55 0.92 -2.18 0.00 4.71 -1.26 -4.85 120.64 118.53 2qam n GLU 37 Ca 0.39 -2.72 -0.37 0.00 -0.01 0.00 0.00 57.16 54.44 2qam n GLU 37 Cb 0.58 -0.86 -0.00 0.00 -1.01 0.00 0.00 31.44 30.15 2qam n GLU 37 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2qam s VAL 38 N -1.76 2.94 -0.16 2.62 0.11 -1.25 -4.65 120.40 118.26 2qam s VAL 38 Ca 0.36 0.70 0.18 0.00 -2.93 0.00 0.00 61.98 60.29 2qam s VAL 38 Cb 0.38 -3.35 0.38 0.00 -1.53 0.00 0.00 36.38 32.26 2qam s VAL 38 CO -0.11 -0.02 1.26 0.00 -3.33 0.00 0.00 175.10 172.90 2qam n LEU 39 N -0.61 2.99 0.00 2.54 -0.00 -0.86 -1.34 117.00 119.71 2qam n LEU 39 Ca 0.08 -3.02 0.00 0.00 -0.00 0.00 0.00 56.01 53.07 2qam n LEU 39 Cb 0.48 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 2qam n LEU 39 CO 0.48 0.69 0.00 0.80 -0.00 0.00 0.00 177.39 179.36 2qam n MET 40 N -1.01 0.00 -4.20 1.47 0.00 -1.26 -3.27 117.12 108.85 2qam n MET 40 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.69 2qam n MET 40 Cb 0.73 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.84 2qam n MET 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2qam s ILE 41 N -0.92 1.23 0.00 1.12 -1.09 -1.24 -3.50 121.20 116.81 2qam s ILE 41 Ca 0.00 -1.45 0.00 0.00 -2.23 0.00 0.00 60.65 56.97 2qam s ILE 41 Cb 0.00 -1.25 0.00 0.00 -1.58 0.00 0.00 42.46 39.63 2qam s ILE 41 CO 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 174.94 173.45 2qam n ALA 42 N 1.04 0.00 -0.01 9.38 0.00 -1.25 -1.91 120.51 127.77 2qam n ALA 42 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qam n ALA 42 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2qam n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qam n ASN 43 N -0.35 -0.00 0.30 0.00 6.94 -1.26 -3.18 115.26 117.70 2qam n ASN 43 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.44 2qam n ASN 43 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2qam n ASN 43 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2qam h GLY 44 N 0.00 -0.79 -6.71 4.83 0.00 -2.07 -3.42 103.07 94.91 2qam h GLY 44 Ca 0.00 0.29 -0.65 0.00 0.00 0.00 0.00 47.33 46.98 2qam h GLY 44 CO 0.00 -0.29 -0.66 1.85 0.00 0.00 0.00 176.54 177.44 2qam s GLU 45 N -4.59 3.61 -0.50 4.80 -6.30 -1.24 -5.04 118.70 109.44 2qam s GLU 45 Ca -0.11 -0.52 -0.28 0.00 -2.50 0.00 0.00 54.97 51.57 2qam s GLU 45 Cb 0.01 -3.12 -0.09 0.00 0.00 0.00 0.00 34.13 30.93 2qam s GLU 45 CO 0.33 -0.04 2.41 -0.85 0.02 0.00 0.00 175.26 177.13 2qam n GLU 46 N 4.41 1.06 -1.43 4.30 0.28 -1.19 -4.78 120.64 123.29 2qam n GLU 46 Ca -0.17 0.09 -0.40 0.00 -0.16 0.00 0.00 57.16 56.52 2qam n GLU 46 Cb 0.52 -3.13 -0.02 0.00 1.43 0.00 0.00 31.44 30.23 2qam n GLU 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2qam n VAL 47 N 7.86 2.98 -2.02 3.84 0.31 -0.80 -4.90 118.33 125.60 2qam n VAL 47 Ca 0.40 -2.41 -0.43 0.00 -0.01 0.00 0.00 64.34 61.89 2qam n VAL 47 Cb 0.45 -2.49 -0.03 0.00 -0.91 0.00 0.00 33.84 30.87 2qam n VAL 47 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2qam s LYS 48 N 3.63 3.53 -0.17 5.55 -2.85 -1.26 -3.66 119.74 124.51 2qam s LYS 48 Ca 0.52 1.57 -0.33 0.00 -1.00 0.00 0.00 55.97 56.73 2qam s LYS 48 Cb 0.14 -4.14 -0.11 0.00 -2.06 0.00 0.00 37.83 31.67 2qam s LYS 48 CO -0.02 -1.62 2.00 0.44 0.10 0.00 0.00 175.35 176.25 2qam n ILE 49 N 7.01 0.46 0.18 3.79 -6.64 -1.20 -4.84 119.36 118.12 2qam n ILE 49 Ca 0.21 -0.20 0.03 0.00 -1.77 0.00 0.00 62.75 61.03 2qam n ILE 49 Cb 0.46 -1.94 0.32 0.00 -1.44 0.00 0.00 39.64 37.04 2qam n ILE 49 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2qam h GLY 50 N 10.85 0.00 -3.30 3.28 0.00 -1.90 -3.44 103.07 108.56 2qam h GLY 50 Ca -0.43 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.45 2qam h GLY 50 CO 0.97 0.00 -0.76 -1.34 0.00 0.00 0.00 176.54 175.40 2qam s VAL 51 N -3.84 1.55 -0.25 4.60 -7.23 -1.26 -5.06 120.40 108.92 2qam s VAL 51 Ca -0.01 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 2qam s VAL 51 Cb 0.13 -1.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2qam s VAL 51 CO 0.71 -0.43 0.99 -2.65 -0.31 0.00 0.00 175.10 173.42 2qam n PRO 52 N 0.28 0.00 -0.70 4.82 -0.02 -1.26 -4.48 135.00 133.64 2qam n PRO 52 Ca -0.13 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.44 2qam n PRO 52 Cb 0.58 -0.74 -0.02 0.00 -0.02 0.00 0.00 33.50 33.29 2qam n PRO 52 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qam n PHE 53 N 3.30 -2.73 -4.71 6.00 3.72 -1.26 -4.85 117.46 116.93 2qam n PHE 53 Ca 0.24 0.87 -0.30 0.00 -0.05 0.00 0.00 57.45 58.21 2qam n PHE 53 Cb -0.02 -1.50 -0.14 0.00 -0.94 0.00 0.00 39.48 36.88 2qam n PHE 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2qam s VAL 54 N -1.15 2.42 0.05 -4.37 0.11 -0.45 -4.71 120.40 112.29 2qam s VAL 54 Ca 0.00 -1.39 -0.09 0.00 -2.93 0.00 0.00 61.98 57.57 2qam s VAL 54 Cb 0.00 -2.00 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 2qam s VAL 54 CO 0.00 0.30 1.16 -2.24 -3.33 0.00 0.00 175.10 170.99 2qam h ASP 55 N 4.51 -0.66 0.00 3.54 -0.00 -1.91 -3.42 116.42 118.48 2qam h ASP 55 Ca -0.48 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 2qam h ASP 55 Cb 1.15 0.29 0.00 0.00 -0.00 0.00 0.00 39.33 40.77 2qam h ASP 55 CO 0.44 -0.07 0.00 0.61 -0.00 0.00 0.00 179.24 180.22 2qam n GLY 56 N -1.08 0.97 2.56 7.15 0.00 -1.26 -4.99 105.19 108.54 2qam n GLY 56 Ca 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 2qam n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 57 N 5.00 -4.71 2.86 -0.02 0.00 -1.23 -4.79 105.19 102.29 2qam n GLY 57 Ca 0.00 1.08 -0.29 0.00 0.00 0.00 0.00 46.02 46.81 2qam n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qam s VAL 58 N -1.04 2.27 -0.09 1.61 0.11 -1.26 -4.05 120.40 117.96 2qam s VAL 58 Ca -0.14 -3.33 -0.29 0.00 -2.93 0.00 0.00 61.98 55.29 2qam s VAL 58 Cb 0.01 -2.56 -0.07 0.00 -1.53 0.00 0.00 36.38 32.23 2qam s VAL 58 CO 0.74 -0.89 2.05 -0.63 -3.33 0.00 0.00 175.10 173.04 2qam s ILE 59 N -0.39 3.06 0.20 7.04 1.01 -0.21 -4.28 121.20 127.63 2qam s ILE 59 Ca 0.20 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.94 2qam s ILE 59 Cb -0.19 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2qam s ILE 59 CO -0.05 -0.02 0.34 -0.54 0.00 0.00 0.00 174.94 174.67 2qam s LYS 60 N 5.26 3.46 0.00 2.79 1.02 -1.26 0.11 119.74 131.12 2qam s LYS 60 Ca 0.92 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 2qam s LYS 60 Cb -0.37 -2.90 0.10 0.00 -0.52 0.00 0.00 37.83 34.13 2qam s LYS 60 CO 0.38 0.45 0.90 0.00 -0.92 0.00 0.00 175.35 176.16 2qam s ALA 61 N -1.87 -1.82 0.02 5.17 0.00 -0.77 0.54 121.76 123.03 2qam s ALA 61 Ca 0.35 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.32 2qam s ALA 61 Cb -0.10 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2qam s ALA 61 CO 0.29 -0.71 -0.04 -2.00 0.00 0.00 0.00 175.76 173.30 2qam s GLU 62 N -3.12 2.58 -0.62 0.00 2.56 -1.26 -0.28 118.70 118.56 2qam s GLU 62 Ca 0.05 -0.73 -0.28 0.00 0.00 0.00 0.00 54.97 54.02 2qam s GLU 62 Cb -0.01 -2.54 0.03 0.00 2.00 0.00 0.00 34.13 33.61 2qam s GLU 62 CO -0.08 0.60 1.22 0.14 -0.56 0.00 0.00 175.26 176.57 2qam s VAL 63 N -1.07 3.93 -1.40 3.70 -7.23 -0.83 -1.75 120.40 115.76 2qam s VAL 63 Ca 0.19 0.77 -0.09 0.00 -1.81 0.00 0.00 61.98 61.04 2qam s VAL 63 Cb -0.11 -4.78 0.07 0.00 0.56 0.00 0.00 36.38 32.13 2qam s VAL 63 CO 0.10 -1.48 2.33 0.52 -0.31 0.00 0.00 175.10 176.26 2qam n VAL 64 N 6.60 4.46 -1.09 1.32 0.31 0.27 -4.33 118.33 125.86 2qam n VAL 64 Ca 0.07 -3.74 0.00 0.00 -0.01 0.00 0.00 64.34 60.66 2qam n VAL 64 Cb 0.49 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 2qam n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qam n ALA 65 N 3.53 -1.76 -1.25 3.52 0.00 -1.25 -4.34 120.51 118.97 2qam n ALA 65 Ca 0.57 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.33 2qam n ALA 65 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2qam n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qam n HIS 66 N -1.11 -0.12 0.00 0.00 8.25 -1.26 -2.38 115.22 118.60 2qam n HIS 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2qam n HIS 66 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2qam n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qam n GLY 67 N 5.00 1.77 2.98 -1.41 0.00 0.24 -4.83 105.19 108.94 2qam n GLY 67 Ca 0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2qam n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qam s ARG 68 N -2.00 1.77 1.13 1.61 0.52 -1.26 -0.82 118.95 119.90 2qam s ARG 68 Ca 0.00 -1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 53.88 2qam s ARG 68 Cb 0.00 -2.70 0.16 0.00 0.52 0.00 0.00 34.95 32.93 2qam s ARG 68 CO 0.00 -0.62 0.20 0.41 0.02 0.00 0.00 175.30 175.31 2qam n GLY 69 N 4.58 -2.62 3.22 -3.53 0.00 -1.15 -4.95 105.19 100.74 2qam n GLY 69 Ca -0.11 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 2qam n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qam n GLU 70 N -2.43 -2.19 -3.33 1.61 -0.00 -1.26 -4.64 120.64 108.41 2qam n GLU 70 Ca 0.03 -0.63 -0.29 0.00 -0.00 0.00 0.00 57.16 56.27 2qam n GLU 70 Cb 0.54 -1.70 -0.04 0.00 -0.00 0.00 0.00 31.44 30.24 2qam n GLU 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2qam s LYS 71 N -3.68 3.67 -0.20 3.44 2.47 -1.26 -4.24 119.74 119.94 2qam s LYS 71 Ca 0.54 0.07 -0.04 0.00 -1.56 0.00 0.00 55.97 54.98 2qam s LYS 71 Cb -0.11 -2.64 0.08 0.00 -1.46 0.00 0.00 37.83 33.70 2qam s LYS 71 CO 0.58 0.22 0.16 0.14 0.16 0.00 0.00 175.35 176.61 2qam s VAL 72 N -2.04 -0.20 0.23 4.02 -7.23 0.11 -4.97 120.40 110.33 2qam s VAL 72 Ca 0.45 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 60.10 2qam s VAL 72 Cb -0.11 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 2qam s VAL 72 CO 0.28 -0.30 1.27 -0.54 -0.31 0.00 0.00 175.10 175.51 2qam s LYS 73 N 2.22 4.42 -0.33 4.82 1.02 -1.26 -1.90 119.74 128.73 2qam s LYS 73 Ca 0.05 2.04 0.01 0.00 0.02 0.00 0.00 55.97 58.08 2qam s LYS 73 Cb -0.16 -3.18 0.08 0.00 -0.52 0.00 0.00 37.83 34.06 2qam s LYS 73 CO -0.14 -0.17 0.05 0.42 -0.92 0.00 0.00 175.35 174.58 2qam s ILE 74 N -0.26 2.70 0.02 2.17 1.01 0.54 -4.95 121.20 122.42 2qam s ILE 74 Ca 0.54 -1.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.15 2qam s ILE 74 Cb -0.36 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 2qam s ILE 74 CO 0.41 -0.39 0.42 -0.69 0.00 0.00 0.00 174.94 174.69 2qam s VAL 75 N 1.09 5.02 -0.45 2.92 1.01 -1.26 -0.57 120.40 128.16 2qam s VAL 75 Ca 0.02 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2qam s VAL 75 Cb -0.20 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.61 2qam s VAL 75 CO -0.05 0.53 0.27 -0.54 0.00 0.00 0.00 175.10 175.32 2qam s LYS 76 N -1.21 1.25 -0.19 2.72 -0.14 0.22 -4.96 119.74 117.43 2qam s LYS 76 Ca 0.25 -2.05 -0.04 0.00 -1.36 0.00 0.00 55.97 52.78 2qam s LYS 76 Cb -0.16 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 2qam s LYS 76 CO 0.14 -1.20 -0.04 0.12 -0.76 0.00 0.00 175.35 173.61 2qam s PHE 77 N 0.25 2.97 -0.62 3.18 2.19 -1.26 0.31 117.98 125.00 2qam s PHE 77 Ca 0.20 -0.66 0.01 0.00 0.33 0.00 0.00 56.93 56.81 2qam s PHE 77 Cb -0.19 -2.04 0.15 0.00 -1.31 0.00 0.00 43.02 39.63 2qam s PHE 77 CO -0.03 -0.34 0.40 0.50 1.83 0.00 0.00 175.22 177.58 2qam s ARG 78 N 1.02 2.37 0.83 10.12 3.52 -1.14 -5.02 118.95 130.65 2qam s ARG 78 Ca 0.01 -2.78 -0.17 0.00 -0.13 0.00 0.00 55.73 52.66 2qam s ARG 78 Cb -0.15 -3.53 -0.12 0.00 -1.56 0.00 0.00 34.95 29.60 2qam s ARG 78 CO 0.00 -1.17 -0.33 2.89 -0.81 0.00 0.00 175.30 175.88 2qam n ARG 79 N 2.96 0.01 0.00 5.12 -4.01 -1.26 -2.58 116.66 116.90 2qam n ARG 79 Ca 0.10 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 2qam n ARG 79 Cb 0.35 -1.20 0.00 0.00 -3.04 0.00 0.00 32.46 28.57 2qam n ARG 79 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 2qam n ARG 80 N 1.38 0.00 0.00 2.89 0.63 -1.26 -4.82 116.66 115.48 2qam n ARG 80 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2qam n ARG 80 Cb 0.53 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 33.27 2qam n ARG 80 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2qam n LYS 81 N 0.00 0.31 -0.02 -0.14 4.76 -1.07 -5.01 118.16 117.00 2qam n LYS 81 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 2qam n LYS 81 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2qam n LYS 81 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2qam n HIS 82 N -1.16 0.00 -1.62 2.13 -0.00 -1.26 -4.99 115.22 108.33 2qam n HIS 82 Ca 0.00 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 57.72 2qam n HIS 82 Cb 0.00 -0.39 -0.02 0.00 -0.12 0.00 0.00 29.99 29.46 2qam n HIS 82 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2qam n TYR 83 N -2.10 1.58 -3.64 1.57 -0.00 -1.26 -4.97 117.16 108.34 2qam n TYR 83 Ca -0.07 0.62 -0.07 0.00 -0.00 0.00 0.00 57.90 58.38 2qam n TYR 83 Cb 0.50 -2.32 -0.07 0.00 -0.00 0.00 0.00 39.34 37.45 2qam n TYR 83 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2qam s ARG 84 N -1.01 0.50 0.08 2.98 3.00 -1.25 -2.88 118.95 120.37 2qam s ARG 84 Ca 0.64 0.70 -0.20 0.00 -1.00 0.00 0.00 55.73 55.88 2qam s ARG 84 Cb -0.72 0.19 0.05 0.00 0.00 0.00 0.00 34.95 34.46 2qam s ARG 84 CO 0.56 -0.08 0.48 0.15 0.00 0.00 0.00 175.30 176.41 2qam s LYS 85 N 0.76 1.06 -0.06 5.12 1.02 0.15 -4.97 119.74 122.81 2qam s LYS 85 Ca -0.03 -0.40 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 2qam s LYS 85 Cb -0.05 0.48 0.02 0.00 -0.52 0.00 0.00 37.83 37.76 2qam s LYS 85 CO -0.10 -0.40 0.17 -0.65 -0.92 0.00 0.00 175.35 173.45 2qam s GLN 86 N -2.96 0.18 -0.04 1.68 -0.21 -1.25 0.71 119.66 117.77 2qam s GLN 86 Ca -0.02 0.26 -0.12 0.00 0.02 0.00 0.00 55.36 55.49 2qam s GLN 86 Cb -0.00 0.05 0.02 0.00 1.00 0.00 0.00 33.01 34.08 2qam s GLN 86 CO -0.06 -0.04 0.28 -1.14 -2.12 0.00 0.00 175.29 172.21 2qam s GLN 87 N 0.26 0.56 0.02 2.91 0.74 0.26 -4.96 119.66 119.45 2qam s GLN 87 Ca -0.01 -0.08 0.05 0.00 0.05 0.00 0.00 55.36 55.37 2qam s GLN 87 Cb -0.03 0.25 -0.03 0.00 1.10 0.00 0.00 33.01 34.30 2qam s GLN 87 CO -0.01 -0.14 -0.13 0.20 -0.55 0.00 0.00 175.29 174.66 2qam s GLY 88 N -0.97 1.64 0.09 2.59 0.00 -1.26 0.20 107.32 109.60 2qam s GLY 88 Ca -0.10 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.55 2qam s GLY 88 CO 0.03 -0.97 -0.10 -1.58 0.00 0.00 0.00 173.10 170.47 2qam s HIS 89 N -0.93 1.04 0.00 1.90 2.46 -0.80 -4.96 115.29 114.00 2qam s HIS 89 Ca 0.15 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 55.05 2qam s HIS 89 Cb -0.11 -0.57 0.00 0.00 -0.13 0.00 0.00 32.58 31.77 2qam s HIS 89 CO 0.06 -0.00 0.00 0.54 -2.47 0.00 0.00 174.74 172.86 2qam n ARG 90 N 0.69 3.08 -0.90 2.88 1.74 -1.26 0.10 116.66 122.98 2qam n ARG 90 Ca -0.17 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.02 2qam n ARG 90 Cb 0.57 -0.57 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 2qam n ARG 90 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2qam n GLN 91 N -0.44 -2.02 -4.43 5.56 -0.06 -1.26 -2.96 117.38 111.77 2qam n GLN 91 Ca 0.00 1.58 -0.25 0.00 -2.00 0.00 0.00 57.00 56.33 2qam n GLN 91 Cb 0.03 -2.38 -0.09 0.00 -4.06 0.00 0.00 30.24 23.73 2qam n GLN 91 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2qam s TRP 92 N -3.26 2.49 -0.22 3.69 0.52 -1.26 -3.06 118.94 117.84 2qam s TRP 92 Ca 0.00 -0.47 -0.28 0.00 0.02 0.00 0.00 56.10 55.37 2qam s TRP 92 Cb 0.00 -1.46 0.13 0.00 -1.15 0.00 0.00 33.47 31.00 2qam s TRP 92 CO 0.00 0.52 1.06 -0.59 0.02 0.00 0.00 176.95 177.96 2qam s PHE 93 N -2.56 -0.36 0.03 -1.98 -0.12 0.00 -4.48 117.98 108.51 2qam s PHE 93 Ca 0.34 0.74 0.06 0.00 -0.05 0.00 0.00 56.93 58.02 2qam s PHE 93 Cb 0.01 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 2qam s PHE 93 CO 0.18 -0.26 -0.18 0.95 -0.05 0.00 0.00 175.22 175.86 2qam s THR 94 N -0.57 1.44 0.04 -4.49 -4.23 -1.10 -0.59 115.64 106.15 2qam s THR 94 Ca 0.01 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 2qam s THR 94 Cb -0.02 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 2qam s THR 94 CO -0.03 0.19 0.07 -1.81 -0.54 0.00 0.00 174.62 172.50 2qam s ASP 95 N -0.99 5.53 -0.01 3.99 1.01 -1.00 -1.74 116.67 123.46 2qam s ASP 95 Ca 0.06 0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.37 2qam s ASP 95 Cb -0.08 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.34 2qam s ASP 95 CO 0.01 0.22 -0.04 0.68 0.21 0.00 0.00 175.17 176.25 2qam s VAL 96 N -1.29 0.38 -0.04 -1.27 -7.23 0.64 0.94 120.40 112.53 2qam s VAL 96 Ca 0.26 -0.15 0.13 0.00 -1.81 0.00 0.00 61.98 60.41 2qam s VAL 96 Cb -0.12 -0.35 -0.18 0.00 0.56 0.00 0.00 36.38 36.28 2qam s VAL 96 CO 0.18 0.13 0.88 0.50 -0.31 0.00 0.00 175.10 176.48 2qam h LYS 97 N 6.38 0.00 -3.92 4.82 3.64 -1.60 0.39 116.57 126.28 2qam h LYS 97 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2qam h LYS 97 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2qam h LYS 97 CO 0.49 0.55 -0.79 -0.89 -2.27 0.00 0.00 179.45 176.54 2qam n ILE 98 N -3.08 -8.34 -2.13 2.00 -0.00 -1.26 -3.56 119.36 102.98 2qam n ILE 98 Ca -0.11 1.56 0.05 0.00 -0.00 0.00 0.00 62.75 64.26 2qam n ILE 98 Cb 0.96 -5.04 0.09 0.00 -0.00 0.00 0.00 39.64 35.64 2qam n ILE 98 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2qam n THR 99 N 0.94 0.80 0.00 1.39 -2.24 0.16 -2.16 114.28 113.17 2qam n THR 99 Ca -0.18 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 2qam n THR 99 Cb 0.28 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 2qam n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qam n GLY 100 N -0.13 0.27 2.97 3.38 0.00 0.19 -4.66 105.19 107.21 2qam n GLY 100 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2qam n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qam n ILE 101 N 0.00 -8.85 -4.86 -0.61 2.08 -1.26 -4.69 119.36 101.17 2qam n ILE 101 Ca 0.00 1.03 -0.27 0.00 0.56 0.00 0.00 62.75 64.07 2qam n ILE 101 Cb 0.00 -5.90 -0.15 0.00 -0.75 0.00 0.00 39.64 32.84 2qam n ILE 101 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2qam s SER 102 N -1.84 2.56 0.00 4.38 1.04 -1.26 -5.01 113.70 113.57 2qam s SER 102 Ca 0.15 -0.46 0.18 0.00 0.48 0.00 0.00 55.95 56.29 2qam s SER 102 Cb -0.03 -0.25 1.06 0.00 0.10 0.00 0.00 66.02 66.90 2qam s SER 102 CO 0.67 0.22 1.46 0.00 0.98 0.00 0.00 173.24 176.58