#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npb s LEU 2 N 0.00 4.23 0.03 3.17 1.43 -1.26 -5.00 118.68 121.28 1npb s LEU 2 Ca 0.00 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1npb s LEU 2 Cb 0.00 -2.23 -0.34 0.00 0.03 0.00 0.00 46.19 43.66 1npb s LEU 2 CO 0.00 0.14 1.01 1.56 0.23 0.00 0.00 176.35 179.29 1npb h GLN 3 N 6.65 0.46 -1.60 1.70 4.20 -2.10 -3.49 115.11 120.93 1npb h GLN 3 Ca -0.41 -0.79 0.33 0.00 0.06 0.00 0.00 58.65 57.84 1npb h GLN 3 Cb 1.16 0.29 -0.11 0.00 0.30 0.00 0.00 27.48 29.13 1npb h GLN 3 CO 0.76 1.38 0.86 -1.54 -0.67 0.00 0.00 178.83 179.61 1npb s SER 4 N -7.45 -0.04 0.13 1.46 1.04 -1.26 -5.11 113.70 102.47 1npb s SER 4 Ca -0.08 -0.15 -0.31 0.00 0.48 0.00 0.00 55.95 55.88 1npb s SER 4 Cb 0.05 0.15 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 1npb s SER 4 CO 0.92 -0.29 1.41 -0.22 0.98 0.00 0.00 173.24 176.04 1npb s LEU 5 N -3.20 4.37 -0.11 2.42 2.96 -1.26 -4.93 118.68 118.93 1npb s LEU 5 Ca 0.18 2.37 -0.18 0.00 -0.22 0.00 0.00 54.13 56.28 1npb s LEU 5 Cb 0.04 -3.59 -0.27 0.00 0.50 0.00 0.00 46.19 42.87 1npb s LEU 5 CO -0.03 -0.67 0.59 -1.13 -1.32 0.00 0.00 176.35 173.79 1npb h ASN 6 N 6.72 0.33 -4.52 3.68 -0.73 -1.99 -3.48 115.58 115.59 1npb h ASN 6 Ca -0.42 -0.85 0.07 0.00 1.87 0.00 0.00 56.30 56.97 1npb h ASN 6 Cb 1.21 -0.11 -0.18 0.00 0.27 0.00 0.00 38.32 39.51 1npb h ASN 6 CO 0.87 1.53 0.46 -1.38 -0.37 0.00 0.00 177.43 178.54 1npb s HIS 7 N -2.44 -0.40 -0.22 0.67 -3.43 -1.26 -4.33 115.29 103.88 1npb s HIS 7 Ca -0.20 0.47 -0.05 0.00 -0.80 0.00 0.00 55.06 54.48 1npb s HIS 7 Cb 0.03 0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 31.66 1npb s HIS 7 CO 0.75 -0.50 -0.00 -1.17 -2.00 0.00 0.00 174.74 171.83 1npb s LEU 8 N -1.86 3.15 -0.18 5.38 2.96 -0.46 -5.00 118.68 122.67 1npb s LEU 8 Ca 0.01 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1npb s LEU 8 Cb -0.01 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1npb s LEU 8 CO -0.03 0.01 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.08 1npb s THR 9 N 1.35 3.79 -0.12 3.68 2.01 -1.26 0.07 115.64 125.17 1npb s THR 9 Ca 0.04 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1npb s THR 9 Cb -0.15 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1npb s THR 9 CO 0.00 0.46 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.51 1npb s LEU 10 N 0.77 2.78 0.13 4.42 1.43 0.25 -4.97 118.68 123.49 1npb s LEU 10 Ca -0.01 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 1npb s LEU 10 Cb -0.14 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.39 1npb s LEU 10 CO 0.02 0.20 1.20 0.00 0.23 0.00 0.00 176.35 178.00 1npb s ALA 11 N 0.13 3.42 0.15 4.21 0.00 -1.26 -0.63 121.76 127.78 1npb s ALA 11 Ca -0.06 0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1npb s ALA 11 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1npb s ALA 11 CO 0.05 -0.40 -0.12 0.14 0.00 0.00 0.00 175.76 175.43 1npb s VAL 12 N 0.49 1.32 -0.13 0.00 -7.23 -0.12 -4.88 120.40 109.86 1npb s VAL 12 Ca 0.56 -2.01 0.16 0.00 -1.81 0.00 0.00 61.98 58.88 1npb s VAL 12 Cb -0.31 -1.81 -0.24 0.00 0.56 0.00 0.00 36.38 34.58 1npb s VAL 12 CO 0.33 -0.64 0.17 -1.54 -0.31 0.00 0.00 175.10 173.11 1npb n SER 13 N -0.06 0.73 -3.62 4.85 3.41 -1.26 -1.18 113.62 116.49 1npb n SER 13 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 1npb n SER 13 Cb 0.60 1.22 -0.15 0.00 -0.26 0.00 0.00 64.21 65.61 1npb n SER 13 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1npb s ASP 14 N -4.82 3.72 0.20 4.04 -1.08 -1.26 -4.92 116.67 112.54 1npb s ASP 14 Ca -0.08 -1.49 -0.11 0.00 -0.52 0.00 0.00 52.55 50.36 1npb s ASP 14 Cb 0.07 -0.57 0.19 0.00 -1.46 0.00 0.00 42.92 41.15 1npb s ASP 14 CO 0.73 -0.42 1.82 0.25 0.52 0.00 0.00 175.17 178.07 1npb h LEU 15 N 8.20 0.58 -0.05 -1.34 5.85 -1.94 -1.02 115.31 125.59 1npb h LEU 15 Ca -0.16 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1npb h LEU 15 Cb 1.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1npb h LEU 15 CO 0.45 0.39 -0.09 -0.61 -0.34 0.00 0.00 178.44 178.23 1npb h GLN 16 N 0.71 -0.13 -0.64 1.25 5.75 -1.97 0.65 115.11 120.72 1npb h GLN 16 Ca 0.27 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.74 1npb h GLN 16 Cb 0.10 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1npb h GLN 16 CO -0.14 -0.09 0.25 0.87 -2.65 0.00 0.00 178.83 177.07 1npb h LYS 17 N -0.14 0.95 -0.29 1.69 1.57 -1.86 -1.98 116.57 116.51 1npb h LYS 17 Ca 0.05 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.53 1npb h LYS 17 Cb 0.21 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1npb h LYS 17 CO -0.13 0.78 -0.40 0.77 -0.57 0.00 0.00 179.45 179.90 1npb h SER 18 N 0.93 0.85 -0.43 0.86 0.02 -0.70 -1.74 113.55 113.34 1npb h SER 18 Ca 0.22 -0.50 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 1npb h SER 18 Cb 0.19 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1npb h SER 18 CO -0.02 1.19 0.05 0.58 -1.14 0.00 0.00 176.83 177.49 1npb h VAL 19 N 0.53 1.25 -0.71 2.27 2.07 -0.73 -0.55 116.25 120.38 1npb h VAL 19 Ca 0.03 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.67 1npb h VAL 19 Cb 0.99 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1npb h VAL 19 CO 0.09 0.32 0.42 0.74 0.02 0.00 0.00 177.57 179.17 1npb h THR 20 N 0.58 1.02 0.18 2.57 2.02 -1.26 0.16 112.91 118.18 1npb h THR 20 Ca 0.13 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1npb h THR 20 Cb 0.41 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1npb h THR 20 CO 0.01 0.14 -0.09 0.15 0.37 0.00 0.00 175.52 176.11 1npb h PHE 21 N 0.79 -0.23 -0.03 3.16 3.57 -0.95 0.33 116.94 123.57 1npb h PHE 21 Ca 0.31 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.57 1npb h PHE 21 Cb 0.14 0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.97 1npb h PHE 21 CO -0.06 0.01 -0.92 -1.49 -2.23 0.00 0.00 178.31 173.62 1npb h TRP 22 N -0.45 0.83 0.08 0.41 4.06 -0.93 0.50 115.95 120.45 1npb h TRP 22 Ca -0.03 -0.43 -0.19 0.00 2.06 0.00 0.00 58.89 60.31 1npb h TRP 22 Cb 0.35 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1npb h TRP 22 CO -0.00 1.25 -0.96 1.25 -3.56 0.00 0.00 178.44 176.41 1npb h HIS 23 N 0.35 0.31 0.00 0.49 2.76 -0.78 -0.75 115.15 117.52 1npb h HIS 23 Ca -0.09 -0.23 -0.31 0.00 -2.20 0.00 0.00 60.37 57.55 1npb h HIS 23 Cb 1.56 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 30.46 1npb h HIS 23 CO 0.08 1.37 -1.68 0.39 -1.30 0.00 0.00 177.93 176.79 1npb n GLU 24 N -4.19 0.57 -0.01 5.26 1.02 0.06 -2.32 120.64 121.03 1npb n GLU 24 Ca -0.20 0.47 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 1npb n GLU 24 Cb 0.76 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 1npb n GLU 24 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1npb h LEU 25 N -1.00 0.04 0.00 -4.62 6.46 -1.08 -3.30 115.31 111.82 1npb h LEU 25 Ca -0.46 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 56.86 1npb h LEU 25 Cb 1.40 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 1npb h LEU 25 CO -0.28 0.47 -0.60 0.18 -0.62 0.00 0.00 178.44 177.59 1npb n LEU 26 N -4.85 0.63 -0.27 2.25 4.77 0.14 -4.98 117.00 114.69 1npb n LEU 26 Ca -0.08 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1npb n LEU 26 Cb 0.24 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1npb n LEU 26 CO 0.34 -0.01 -0.03 0.61 -1.33 0.00 0.00 177.39 176.97 1npb n GLY 27 N 1.38 0.65 3.75 -0.72 0.00 -0.98 -4.96 105.19 104.31 1npb n GLY 27 Ca 0.04 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1npb n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1npb s LEU 28 N -0.80 3.82 0.01 0.99 1.02 -0.31 -4.96 118.68 118.44 1npb s LEU 28 Ca 0.00 2.55 -0.28 0.00 0.02 0.00 0.00 54.13 56.42 1npb s LEU 28 Cb 0.00 -4.38 -0.04 0.00 0.02 0.00 0.00 46.19 41.79 1npb s LEU 28 CO 0.00 -1.46 0.90 0.28 0.02 0.00 0.00 176.35 176.09 1npb s THR 29 N -1.44 4.84 -0.19 5.49 -1.32 -0.74 -4.45 115.64 117.84 1npb s THR 29 Ca 0.72 1.90 -0.18 0.00 -1.21 0.00 0.00 61.69 62.92 1npb s THR 29 Cb -0.35 -4.25 -0.03 0.00 -1.51 0.00 0.00 72.50 66.36 1npb s THR 29 CO 0.40 0.22 0.51 -0.22 -2.21 0.00 0.00 174.62 173.32 1npb s LEU 30 N 0.75 4.17 -0.20 9.08 2.96 -1.26 -0.55 118.68 133.61 1npb s LEU 30 Ca 0.47 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 1npb s LEU 30 Cb -0.21 -2.70 -0.14 0.00 0.50 0.00 0.00 46.19 43.64 1npb s LEU 30 CO 0.26 -0.15 -0.16 1.41 -1.32 0.00 0.00 176.35 176.39 1npb n HIS 31 N 4.58 0.00 -3.55 5.38 8.25 0.32 -5.00 115.22 125.21 1npb n HIS 31 Ca -0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.29 1npb n HIS 31 Cb 0.51 -0.81 -0.04 0.00 1.12 0.00 0.00 29.99 30.77 1npb n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1npb s ALA 32 N -2.42 -1.26 -0.03 -1.41 0.00 -1.12 -4.99 121.76 110.53 1npb s ALA 32 Ca -0.26 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 1npb s ALA 32 Cb 0.07 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1npb s ALA 32 CO 0.50 -0.64 0.21 0.50 0.00 0.00 0.00 175.76 176.34 1npb s ARG 33 N -3.37 0.45 0.05 0.00 3.52 -1.26 -0.46 118.95 117.88 1npb s ARG 33 Ca -0.00 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.52 1npb s ARG 33 Cb 0.00 0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.59 1npb s ARG 33 CO -0.09 -0.10 0.06 -2.67 -0.81 0.00 0.00 175.30 171.69 1npb n TRP 34 N 1.96 -0.34 0.05 5.12 2.14 -0.21 -4.98 117.44 121.18 1npb n TRP 34 Ca -0.19 -0.42 0.03 0.00 2.07 0.00 0.00 57.50 59.00 1npb n TRP 34 Cb 0.57 0.07 0.42 0.00 -0.81 0.00 0.00 31.31 31.56 1npb n TRP 34 CO 0.00 0.00 0.00 -0.91 2.07 0.00 0.00 177.69 178.85 1npb h ASN 35 N 0.32 0.38 0.00 -0.67 2.35 -2.03 -3.22 115.58 112.72 1npb h ASN 35 Ca -0.04 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1npb h ASN 35 Cb 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1npb h ASN 35 CO 0.06 0.34 -0.19 0.35 -1.65 0.00 0.00 177.43 176.34 1npb n THR 36 N -4.42 1.37 -3.85 2.81 -2.24 -1.26 -4.99 114.28 101.69 1npb n THR 36 Ca 0.02 -1.70 -0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1npb n THR 36 Cb 0.12 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.35 1npb n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1npb n GLY 37 N -1.00 0.60 3.51 3.38 0.00 -1.22 -1.01 105.19 109.46 1npb n GLY 37 Ca 0.12 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1npb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npb s ALA 38 N -1.75 -1.55 -0.18 4.61 0.00 -0.39 -1.05 121.76 121.46 1npb s ALA 38 Ca 0.19 1.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.67 1npb s ALA 38 Cb -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1npb s ALA 38 CO 0.02 -0.31 -0.09 0.71 0.00 0.00 0.00 175.76 176.09 1npb s TYR 39 N -0.20 2.89 0.35 0.00 4.12 0.39 -1.49 117.35 123.41 1npb s TYR 39 Ca -0.04 -0.81 0.03 0.00 0.02 0.00 0.00 57.07 56.27 1npb s TYR 39 Cb -0.03 -1.98 -0.05 0.00 -1.52 0.00 0.00 41.96 38.38 1npb s TYR 39 CO 0.04 -0.39 0.08 -0.51 0.02 0.00 0.00 175.55 174.79 1npb s LEU 40 N 0.92 2.09 -0.01 -1.29 1.02 0.10 -0.52 118.68 120.98 1npb s LEU 40 Ca -0.02 -1.48 0.00 0.00 0.02 0.00 0.00 54.13 52.66 1npb s LEU 40 Cb -0.15 -0.28 0.02 0.00 0.02 0.00 0.00 46.19 45.80 1npb s LEU 40 CO 0.00 -0.72 0.00 -0.89 0.02 0.00 0.00 176.35 174.76 1npb s THR 41 N -3.29 0.09 -0.25 5.49 2.01 0.28 -0.55 115.64 119.41 1npb s THR 41 Ca 0.32 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1npb s THR 41 Cb 0.07 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.49 1npb s THR 41 CO 0.15 0.08 -0.04 0.00 -0.69 0.00 0.00 174.62 174.11 1npb n GLY 43 N 4.60 3.43 0.33 0.00 0.00 -1.26 -1.10 105.19 111.20 1npb n GLY 43 Ca -0.10 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1npb n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1npb n ASP 44 N 4.54 1.04 -4.79 1.61 5.75 -1.26 -4.92 116.55 118.52 1npb n ASP 44 Ca 0.00 -1.33 -0.37 0.00 -0.01 0.00 0.00 54.79 53.07 1npb n ASP 44 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1npb n ASP 44 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1npb s LEU 45 N -2.01 4.37 -0.34 -2.12 2.96 -0.26 -5.05 118.68 116.22 1npb s LEU 45 Ca 0.41 0.77 -0.24 0.00 -0.22 0.00 0.00 54.13 54.84 1npb s LEU 45 Cb 0.21 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1npb s LEU 45 CO 0.35 0.21 0.83 0.86 -1.32 0.00 0.00 176.35 177.28 1npb s TRP 46 N -0.34 3.13 -0.15 5.38 -0.00 -1.26 -0.95 118.94 124.75 1npb s TRP 46 Ca 0.21 0.72 -0.01 0.00 -0.00 0.00 0.00 56.10 57.02 1npb s TRP 46 Cb -0.15 -3.41 -0.01 0.00 -0.00 0.00 0.00 33.47 29.89 1npb s TRP 46 CO 0.09 -0.70 -0.11 0.08 -0.00 0.00 0.00 176.95 176.31 1npb s VAL 47 N 3.17 3.18 -0.19 5.86 1.01 0.29 -1.35 120.40 132.36 1npb s VAL 47 Ca 0.34 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1npb s VAL 47 Cb -0.13 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1npb s VAL 47 CO 0.16 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.67 1npb s LEU 49 N 1.17 4.07 -0.15 0.00 1.43 -0.56 -0.58 118.68 124.06 1npb s LEU 49 Ca 0.02 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1npb s LEU 49 Cb -0.14 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1npb s LEU 49 CO -0.03 -0.22 -0.15 -0.55 0.23 0.00 0.00 176.35 175.63 1npb s SER 50 N 1.63 2.75 0.12 2.29 0.15 0.20 -1.26 113.70 119.58 1npb s SER 50 Ca 0.16 -0.51 -0.31 0.00 0.70 0.00 0.00 55.95 55.99 1npb s SER 50 Cb -0.16 -1.23 -0.09 0.00 -1.71 0.00 0.00 66.02 62.84 1npb s SER 50 CO 0.10 -0.05 1.52 -0.47 1.20 0.00 0.00 173.24 175.55 1npb s TYR 51 N 1.45 2.98 -0.17 3.44 5.04 -0.18 -0.94 117.35 128.97 1npb s TYR 51 Ca 0.05 0.67 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1npb s TYR 51 Cb -0.13 -3.85 0.05 0.00 0.35 0.00 0.00 41.96 38.38 1npb s TYR 51 CO -0.11 -3.15 -0.03 0.34 -1.34 0.00 0.00 175.55 171.26 1npb s ASP 52 N 1.42 2.81 0.55 4.32 -1.08 -0.33 -4.84 116.67 119.53 1npb s ASP 52 Ca 0.69 -0.69 0.45 0.00 -0.52 0.00 0.00 52.55 52.48 1npb s ASP 52 Cb -0.40 -0.81 1.66 0.00 -1.46 0.00 0.00 42.92 41.91 1npb s ASP 52 CO 0.31 -0.22 1.66 -0.08 0.52 0.00 0.00 175.17 177.35 1npb h GLU 53 N 8.15 0.00 -0.00 4.34 4.22 -1.94 0.75 114.58 130.11 1npb h GLU 53 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.23 1npb h GLU 53 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1npb h GLU 53 CO 0.37 0.00 -0.34 0.00 -2.18 0.00 0.00 179.01 176.86 1npb n ALA 54 N -2.86 3.22 -2.65 2.92 0.00 -1.26 -4.86 120.51 115.01 1npb n ALA 54 Ca 0.37 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1npb n ALA 54 Cb 1.73 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1npb n ALA 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1npb s ARG 55 N -2.76 4.41 0.42 0.00 6.06 0.26 -5.04 118.95 122.30 1npb s ARG 55 Ca 0.18 1.44 0.05 0.00 -2.50 0.00 0.00 55.73 54.90 1npb s ARG 55 Cb 0.18 -3.54 -0.06 0.00 0.06 0.00 0.00 34.95 31.59 1npb s ARG 55 CO 0.60 -0.33 0.02 -0.65 -2.50 0.00 0.00 175.30 172.44 1npb s GLN 56 N 2.03 1.97 0.17 5.12 -0.21 -1.26 -4.54 119.66 122.94 1npb s GLN 56 Ca 0.50 -2.15 -0.32 0.00 0.02 0.00 0.00 55.36 53.40 1npb s GLN 56 Cb -0.19 -1.48 -0.10 0.00 1.00 0.00 0.00 33.01 32.23 1npb s GLN 56 CO 0.19 -0.15 1.61 -0.47 -2.12 0.00 0.00 175.29 174.34 1npb s TYR 57 N -2.84 2.99 -0.32 0.91 5.04 -1.26 -4.86 117.35 117.01 1npb s TYR 57 Ca 0.28 0.54 -0.04 0.00 -2.44 0.00 0.00 57.07 55.41 1npb s TYR 57 Cb 0.08 -3.98 0.05 0.00 0.35 0.00 0.00 41.96 38.46 1npb s TYR 57 CO 0.14 -3.66 0.06 0.08 -1.34 0.00 0.00 175.55 170.83 1npb s VAL 58 N 1.23 3.35 0.65 3.14 1.01 -0.73 -4.99 120.40 124.06 1npb s VAL 58 Ca 0.71 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1npb s VAL 58 Cb -0.45 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 1npb s VAL 58 CO 0.31 -0.17 1.13 -2.16 0.00 0.00 0.00 175.10 174.21 1npb s PRO 59 N 1.31 2.77 0.32 2.72 0.04 -1.26 -4.46 135.00 136.43 1npb s PRO 59 Ca -0.03 1.49 0.26 0.00 0.04 0.00 0.00 61.00 62.76 1npb s PRO 59 Cb -0.20 -1.94 1.04 0.00 0.04 0.00 0.00 34.50 33.45 1npb s PRO 59 CO 0.00 -1.29 1.77 -1.00 0.04 0.00 0.00 177.00 176.52 1npb h PRO 60 N 0.15 0.00 0.00 0.56 0.13 -1.92 -0.13 132.00 130.79 1npb h PRO 60 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1npb h PRO 60 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1npb h PRO 60 CO 0.54 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.27 1npb h GLN 61 N 0.00 0.00 0.00 0.86 7.50 -1.97 -3.24 115.11 118.26 1npb h GLN 61 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1npb h GLN 61 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 1npb h GLN 61 CO 0.00 0.00 -2.00 -1.91 -1.50 0.00 0.00 178.83 173.42 1npb n GLU 62 N -3.09 0.66 -3.96 1.46 4.07 -0.08 -4.95 120.64 114.75 1npb n GLU 62 Ca 0.01 -0.18 -0.25 0.00 -0.06 0.00 0.00 57.16 56.68 1npb n GLU 62 Cb 0.34 -1.53 -0.03 0.00 -0.06 0.00 0.00 31.44 30.17 1npb n GLU 62 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1npb s SER 63 N -4.59 6.25 0.77 4.31 1.04 -1.13 -5.00 113.70 115.35 1npb s SER 63 Ca -0.08 0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.47 1npb s SER 63 Cb 0.13 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1npb s SER 63 CO 0.90 0.03 0.02 -0.90 0.98 0.00 0.00 173.24 174.28 1npb n ASP 64 N -0.66 0.01 0.00 7.02 5.68 -1.26 -4.93 116.55 122.40 1npb n ASP 64 Ca -0.07 -1.01 0.10 0.00 -0.50 0.00 0.00 54.79 53.31 1npb n ASP 64 Cb 0.55 -0.01 0.48 0.00 -1.14 0.00 0.00 41.12 41.00 1npb n ASP 64 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1npb n TYR 65 N -1.80 0.00 -1.62 2.11 9.36 -1.26 -4.82 117.16 119.13 1npb n TYR 65 Ca 0.00 0.00 -0.57 0.00 3.32 0.00 0.00 57.90 60.66 1npb n TYR 65 Cb 0.01 -0.42 -0.07 0.00 -0.63 0.00 0.00 39.34 38.22 1npb n TYR 65 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1npb n THR 66 N -1.42 0.08 -3.94 2.97 -1.04 -1.26 -4.93 114.28 104.74 1npb n THR 66 Ca 0.07 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 1npb n THR 66 Cb 0.22 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 1npb n THR 66 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1npb s HIS 67 N 1.43 0.22 -0.12 -1.42 -3.43 -1.26 -4.61 115.29 106.10 1npb s HIS 67 Ca 0.91 -0.64 -0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1npb s HIS 67 Cb -1.10 0.41 0.02 0.00 -1.43 0.00 0.00 32.58 30.48 1npb s HIS 67 CO 0.57 -1.16 -0.09 0.71 -2.00 0.00 0.00 174.74 172.78 1npb s TYR 68 N -3.69 1.58 -0.02 0.38 1.51 -0.54 -5.02 117.35 111.56 1npb s TYR 68 Ca 0.19 -0.80 0.05 0.00 -1.01 0.00 0.00 57.07 55.50 1npb s TYR 68 Cb -0.03 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1npb s TYR 68 CO 0.10 -0.52 -0.14 0.00 -1.11 0.00 0.00 175.55 173.87 1npb s ALA 69 N 1.63 2.70 -0.09 3.71 0.00 -1.26 -1.20 121.76 127.24 1npb s ALA 69 Ca 0.04 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1npb s ALA 69 Cb -0.13 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1npb s ALA 69 CO -0.08 0.57 -0.18 -0.06 0.00 0.00 0.00 175.76 176.02 1npb s PHE 70 N -0.83 2.00 0.30 0.00 0.40 0.43 -4.94 117.98 115.34 1npb s PHE 70 Ca 0.13 -0.82 -0.29 0.00 -0.60 0.00 0.00 56.93 55.35 1npb s PHE 70 Cb -0.11 -1.40 -0.10 0.00 0.51 0.00 0.00 43.02 41.93 1npb s PHE 70 CO 0.03 -0.37 1.29 0.99 0.70 0.00 0.00 175.22 177.86 1npb s THR 71 N 0.59 2.86 0.01 0.64 2.01 -1.25 -1.70 115.64 118.80 1npb s THR 71 Ca -0.15 0.84 0.02 0.00 0.31 0.00 0.00 61.69 62.71 1npb s THR 71 Cb -0.17 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1npb s THR 71 CO 0.05 0.19 -0.06 0.68 -0.69 0.00 0.00 174.62 174.78 1npb s VAL 72 N -0.90 0.47 0.38 3.82 -7.23 -0.80 -4.90 120.40 111.24 1npb s VAL 72 Ca 0.50 -0.47 -0.25 0.00 -1.81 0.00 0.00 61.98 59.95 1npb s VAL 72 Cb -0.39 -0.44 -0.12 0.00 0.56 0.00 0.00 36.38 35.99 1npb s VAL 72 CO 0.49 -0.01 0.90 0.00 -0.31 0.00 0.00 175.10 176.17 1npb n ALA 73 N 2.53 -0.34 -0.30 1.32 0.00 -1.26 -4.34 120.51 118.12 1npb n ALA 73 Ca -0.16 0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1npb n ALA 73 Cb 0.57 -1.99 0.19 0.00 0.00 0.00 0.00 19.45 18.22 1npb n ALA 73 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1npb h GLU 74 N 1.49 0.73 -0.69 0.00 4.81 -1.99 -2.10 114.58 116.83 1npb h GLU 74 Ca -0.42 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1npb h GLU 74 Cb 1.35 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1npb h GLU 74 CO 0.57 0.48 0.38 0.93 -0.73 0.00 0.00 179.01 180.64 1npb h GLU 75 N 0.75 0.95 0.00 1.92 3.07 -2.05 -2.34 114.58 116.88 1npb h GLU 75 Ca 0.42 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1npb h GLU 75 Cb 0.46 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1npb h GLU 75 CO -0.28 0.70 -0.35 -0.25 -1.40 0.00 0.00 179.01 177.42 1npb n ASP 76 N -4.37 0.74 -0.03 1.42 8.00 -0.82 -4.29 116.55 117.21 1npb n ASP 76 Ca 0.07 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.76 1npb n ASP 76 Cb 0.10 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1npb n ASP 76 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1npb h PHE 77 N 0.00 -1.32 0.15 1.24 3.57 -1.07 -1.05 116.94 118.46 1npb h PHE 77 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1npb h PHE 77 Cb 0.74 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1npb h PHE 77 CO 0.00 -0.43 -0.17 1.49 -2.23 0.00 0.00 178.31 176.97 1npb h GLU 78 N -0.44 -0.34 -0.54 1.11 4.22 -1.77 -0.96 114.58 115.84 1npb h GLU 78 Ca 0.03 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.58 1npb h GLU 78 Cb 0.54 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1npb h GLU 78 CO -0.37 -0.23 0.16 -1.35 -2.18 0.00 0.00 179.01 175.04 1npb h PRO 79 N -0.36 0.31 -0.05 0.92 0.11 -1.75 -1.05 132.00 130.14 1npb h PRO 79 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1npb h PRO 79 Cb 0.35 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1npb h PRO 79 CO -0.06 0.20 0.02 -0.07 -0.21 0.00 0.00 178.00 177.88 1npb h LEU 80 N 0.32 0.02 -0.35 2.35 -0.00 -1.07 0.29 115.31 116.88 1npb h LEU 80 Ca 0.27 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.23 1npb h LEU 80 Cb 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.92 1npb h LEU 80 CO -0.31 0.02 -0.24 0.28 -0.00 0.00 0.00 178.44 178.19 1npb h SER 81 N 0.04 -0.78 -0.90 -0.43 0.02 -0.82 -1.44 113.55 109.23 1npb h SER 81 Ca 0.02 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1npb h SER 81 Cb 0.01 0.39 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1npb h SER 81 CO -0.02 -0.26 0.60 -0.61 -1.14 0.00 0.00 176.83 175.39 1npb h GLN 82 N -0.19 1.18 -0.38 3.45 4.15 -0.82 0.12 115.11 122.61 1npb h GLN 82 Ca 0.17 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1npb h GLN 82 Cb 0.46 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1npb h GLN 82 CO -0.46 0.78 0.10 -0.09 -1.93 0.00 0.00 178.83 177.23 1npb h ARG 83 N 1.22 0.60 -0.46 1.69 2.43 0.34 0.05 114.38 120.25 1npb h ARG 83 Ca 0.33 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1npb h ARG 83 Cb -0.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1npb h ARG 83 CO -0.08 0.63 0.14 -0.07 -1.51 0.00 0.00 179.97 179.08 1npb h LEU 84 N 0.46 0.67 -1.29 3.80 4.07 -1.00 -2.48 115.31 119.53 1npb h LEU 84 Ca 0.12 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1npb h LEU 84 Cb 0.29 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1npb h LEU 84 CO -0.00 0.69 0.18 -0.33 -1.08 0.00 0.00 178.44 177.91 1npb h GLU 85 N 0.60 0.67 0.00 1.13 5.08 -0.65 -2.07 114.58 119.35 1npb h GLU 85 Ca 0.15 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1npb h GLU 85 Cb 0.27 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1npb h GLU 85 CO -0.00 0.56 -0.06 1.96 -1.00 0.00 0.00 179.01 180.46 1npb h GLN 86 N 0.67 0.00 -0.29 2.33 4.20 -0.63 -2.12 115.11 119.27 1npb h GLN 86 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1npb h GLN 86 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1npb h GLN 86 CO -0.02 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 1npb n ALA 87 N -2.16 2.46 -2.13 3.87 0.00 -0.79 -4.95 120.51 116.81 1npb n ALA 87 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 53.44 52.57 1npb n ALA 87 Cb 0.26 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1npb n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1npb n GLY 88 N 1.36 0.15 3.75 0.00 0.00 -0.80 -5.01 105.19 104.65 1npb n GLY 88 Ca 0.18 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1npb n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1npb s VAL 89 N -2.31 2.77 0.05 1.61 0.11 -1.14 -4.99 120.40 116.50 1npb s VAL 89 Ca 0.01 0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 59.23 1npb s VAL 89 Cb -0.00 -3.05 -0.06 0.00 -1.53 0.00 0.00 36.38 31.74 1npb s VAL 89 CO 0.01 -0.16 0.75 -0.89 -3.33 0.00 0.00 175.10 171.48 1npb s THR 90 N -1.89 4.72 -0.26 5.04 2.01 -1.26 -4.92 115.64 119.07 1npb s THR 90 Ca 0.74 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 64.19 1npb s THR 90 Cb -0.27 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1npb s THR 90 CO 0.37 0.39 0.32 -0.63 -0.69 0.00 0.00 174.62 174.38 1npb s ILE 91 N -0.17 5.22 -1.55 1.82 -1.09 -1.26 -1.14 121.20 123.02 1npb s ILE 91 Ca 0.37 0.48 0.18 0.00 -2.23 0.00 0.00 60.65 59.45 1npb s ILE 91 Cb -0.20 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1npb s ILE 91 CO 0.23 0.20 0.91 -2.67 -1.23 0.00 0.00 174.94 172.37 1npb n TRP 92 N 5.12 0.00 -3.70 3.97 4.27 -1.00 -4.92 117.44 121.18 1npb n TRP 92 Ca -0.10 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.38 1npb n TRP 92 Cb 0.51 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.37 1npb n TRP 92 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1npb s LYS 93 N -2.19 0.58 -0.22 -2.67 2.20 -1.26 -5.06 119.74 111.11 1npb s LYS 93 Ca 0.14 0.71 -0.14 0.00 -0.36 0.00 0.00 55.97 56.32 1npb s LYS 93 Cb 0.15 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1npb s LYS 93 CO 0.50 -0.08 0.33 -0.65 -0.36 0.00 0.00 175.35 175.09 1npb s GLN 94 N 0.37 4.13 -0.25 4.03 -1.52 -1.26 -4.36 119.66 120.79 1npb s GLN 94 Ca -0.01 0.05 -0.29 0.00 -1.95 0.00 0.00 55.36 53.16 1npb s GLN 94 Cb -0.04 -3.55 -0.02 0.00 -0.22 0.00 0.00 33.01 29.18 1npb s GLN 94 CO -0.01 -0.04 1.57 1.21 -0.25 0.00 0.00 175.29 177.78 1npb s ASN 95 N 1.11 6.38 -0.02 5.90 2.47 -1.26 -4.94 114.94 124.59 1npb s ASN 95 Ca 0.15 1.50 -0.06 0.00 0.42 0.00 0.00 52.86 54.87 1npb s ASN 95 Cb -0.14 -2.53 -0.29 0.00 -1.45 0.00 0.00 41.25 36.83 1npb s ASN 95 CO 0.07 -1.27 0.76 0.07 -3.72 0.00 0.00 177.10 173.01 1npb h LYS 96 N 10.67 0.31 -3.85 0.43 2.10 -1.96 -3.39 116.57 120.87 1npb h LYS 96 Ca -0.32 -0.52 -0.75 0.00 -2.00 0.00 0.00 60.65 57.05 1npb h LYS 96 Cb 1.14 0.20 -0.29 0.00 -0.90 0.00 0.00 32.23 32.38 1npb h LYS 96 CO 1.01 1.19 -0.13 -1.12 -2.00 0.00 0.00 179.45 178.40 1npb s SER 97 N -7.09 6.13 -0.02 7.07 0.01 -1.26 -4.95 113.70 113.59 1npb s SER 97 Ca -0.12 -2.56 -0.01 0.00 1.31 0.00 0.00 55.95 54.58 1npb s SER 97 Cb 0.06 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1npb s SER 97 CO 0.85 -0.55 0.90 -0.62 0.41 0.00 0.00 173.24 174.23 1npb n GLU 98 N 4.07 0.00 -3.77 12.44 1.02 -1.26 -4.87 120.64 128.26 1npb n GLU 98 Ca 0.07 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 1npb n GLU 98 Cb 0.43 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.77 1npb n GLU 98 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1npb s GLY 99 N 0.88 1.55 -1.32 0.62 0.00 -1.26 -5.04 107.32 102.76 1npb s GLY 99 Ca 0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 1npb s GLY 99 CO 0.00 -1.43 1.90 0.00 0.00 0.00 0.00 173.10 173.57 1npb n ALA 100 N -1.44 5.12 -3.71 3.20 0.00 -1.26 -4.83 120.51 117.59 1npb n ALA 100 Ca -0.04 -4.18 -0.14 0.00 0.00 0.00 0.00 53.44 49.09 1npb n ALA 100 Cb 0.58 -3.16 -0.15 0.00 0.00 0.00 0.00 19.45 16.73 1npb n ALA 100 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1npb s SER 101 N 1.84 -0.06 -0.14 0.00 0.01 -1.25 -2.22 113.70 111.87 1npb s SER 101 Ca 0.42 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.92 1npb s SER 101 Cb 0.09 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.46 1npb s SER 101 CO -0.01 -0.14 -0.15 0.12 0.41 0.00 0.00 173.24 173.47 1npb s PHE 102 N 1.09 2.13 -0.27 2.43 5.36 -0.05 -4.59 117.98 124.08 1npb s PHE 102 Ca -0.09 -1.14 -0.06 0.00 -0.96 0.00 0.00 56.93 54.68 1npb s PHE 102 Cb -0.11 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 1npb s PHE 102 CO -0.05 -0.62 0.04 0.71 -1.46 0.00 0.00 175.22 173.84 1npb s TYR 103 N 1.33 3.09 0.05 10.12 1.51 -1.26 -0.36 117.35 131.83 1npb s TYR 103 Ca 0.01 -0.96 -0.04 0.00 -1.01 0.00 0.00 57.07 55.08 1npb s TYR 103 Cb -0.13 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1npb s TYR 103 CO -0.08 -0.56 0.06 -0.59 -1.11 0.00 0.00 175.55 173.27 1npb s PHE 104 N 1.49 0.33 0.06 2.71 -0.12 -0.11 -2.38 117.98 119.96 1npb s PHE 104 Ca 0.03 -0.76 -0.03 0.00 -0.05 0.00 0.00 56.93 56.12 1npb s PHE 104 Cb -0.16 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 1npb s PHE 104 CO 0.01 -0.40 0.25 -0.51 -0.05 0.00 0.00 175.22 174.52 1npb s LEU 105 N -2.59 4.34 0.69 -1.99 1.43 -0.29 -0.49 118.68 119.78 1npb s LEU 105 Ca 0.02 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1npb s LEU 105 Cb 0.04 -2.93 0.08 0.00 0.03 0.00 0.00 46.19 43.40 1npb s LEU 105 CO -0.08 0.17 0.98 1.51 0.23 0.00 0.00 176.35 179.16 1npb s ASP 106 N -2.25 4.70 0.32 2.29 -4.77 -0.71 -4.56 116.67 111.70 1npb s ASP 106 Ca 0.34 0.20 0.20 0.00 -3.30 0.00 0.00 52.55 49.98 1npb s ASP 106 Cb -0.13 -0.81 1.07 0.00 -1.09 0.00 0.00 42.92 41.97 1npb s ASP 106 CO 0.23 -1.63 1.58 -2.65 0.70 0.00 0.00 175.17 173.40 1npb n PRO 107 N -2.84 0.13 -0.12 2.11 -0.02 -1.26 -0.67 135.00 132.33 1npb n PRO 107 Ca 0.10 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 1npb n PRO 107 Cb 0.60 -2.00 0.12 0.00 -0.02 0.00 0.00 33.50 32.21 1npb n PRO 107 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1npb n ASP 108 N -2.21 2.65 0.00 2.55 8.00 -1.26 -4.88 116.55 121.39 1npb n ASP 108 Ca -0.01 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1npb n ASP 108 Cb 0.10 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1npb n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1npb n GLY 109 N 0.66 0.77 3.70 0.44 0.00 0.15 -1.77 105.19 109.15 1npb n GLY 109 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1npb n GLY 109 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1npb n HIS 110 N -2.34 2.46 -2.86 1.61 8.25 -1.26 -4.72 115.22 116.36 1npb n HIS 110 Ca 0.00 0.31 -0.43 0.00 -0.26 0.00 0.00 57.72 57.34 1npb n HIS 110 Cb 0.00 -2.54 -0.04 0.00 1.12 0.00 0.00 29.99 28.53 1npb n HIS 110 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1npb s LYS 111 N -0.05 3.68 0.27 -0.41 1.02 -1.26 -1.73 119.74 121.26 1npb s LYS 111 Ca 0.69 0.32 0.10 0.00 0.02 0.00 0.00 55.97 57.10 1npb s LYS 111 Cb -0.59 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 32.82 1npb s LYS 111 CO 0.45 -1.02 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.34 1npb s LEU 112 N 3.45 3.16 -0.08 3.17 1.43 0.35 -1.47 118.68 128.69 1npb s LEU 112 Ca 0.35 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1npb s LEU 112 Cb -0.12 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.47 1npb s LEU 112 CO 0.21 -0.02 0.20 -0.70 0.23 0.00 0.00 176.35 176.27 1npb s GLU 113 N -3.68 0.19 -0.22 1.70 2.12 -0.34 -0.94 118.70 117.54 1npb s GLU 113 Ca 0.32 0.36 -0.13 0.00 0.36 0.00 0.00 54.97 55.88 1npb s GLU 113 Cb -0.06 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 1npb s GLU 113 CO 0.20 -0.09 0.28 -0.51 -0.54 0.00 0.00 175.26 174.60 1npb s LEU 114 N 0.65 4.14 -0.03 2.70 1.43 0.51 -0.43 118.68 127.65 1npb s LEU 114 Ca -0.04 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1npb s LEU 114 Cb -0.06 -2.32 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 1npb s LEU 114 CO -0.04 -0.00 -0.12 -2.28 0.23 0.00 0.00 176.35 174.14 1npb s HIS 115 N 1.16 1.21 -0.22 0.29 2.46 -0.69 -0.87 115.29 118.63 1npb s HIS 115 Ca 0.14 -0.31 -0.08 0.00 0.47 0.00 0.00 55.06 55.27 1npb s HIS 115 Cb -0.14 -0.83 -0.04 0.00 -0.13 0.00 0.00 32.58 31.43 1npb s HIS 115 CO 0.06 -0.11 0.10 0.08 -2.47 0.00 0.00 174.74 172.40 1npb s VAL 116 N 0.09 4.82 0.00 0.89 1.01 -0.94 -1.91 120.40 124.35 1npb s VAL 116 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1npb s VAL 116 Cb -0.09 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1npb s VAL 116 CO 0.01 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1npb n GLY 117 N 4.24 3.66 3.87 4.51 0.00 -1.26 -4.83 105.19 115.39 1npb n GLY 117 Ca -0.16 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1npb n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1npb s SER 118 N 0.00 3.61 0.46 1.61 1.04 -1.26 -4.91 113.70 114.25 1npb s SER 118 Ca 0.00 0.61 0.16 0.00 0.48 0.00 0.00 55.95 57.20 1npb s SER 118 Cb 0.00 -0.94 1.05 0.00 0.10 0.00 0.00 66.02 66.23 1npb s SER 118 CO 0.00 -2.45 2.00 0.25 0.98 0.00 0.00 173.24 174.02 1npb h LEU 119 N -1.44 0.00 -0.22 2.42 5.85 -2.00 -1.53 115.31 118.39 1npb h LEU 119 Ca -0.46 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 1npb h LEU 119 Cb 1.29 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1npb h LEU 119 CO 0.53 0.18 -0.01 0.00 -0.34 0.00 0.00 178.44 178.80 1npb h ALA 120 N 1.82 0.29 -0.92 1.25 0.00 -1.99 -0.88 119.26 118.84 1npb h ALA 120 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1npb h ALA 120 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1npb h ALA 120 CO 0.02 0.03 0.58 0.00 0.00 0.00 0.00 179.25 179.88 1npb h ALA 121 N 0.78 1.17 -0.68 0.00 0.00 -1.84 0.34 119.26 119.03 1npb h ALA 121 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1npb h ALA 121 Cb 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1npb h ALA 121 CO 0.01 0.61 0.32 -0.09 0.00 0.00 0.00 179.25 180.10 1npb h ARG 122 N 1.26 0.97 -0.25 0.00 9.65 -1.07 0.19 114.38 125.13 1npb h ARG 122 Ca 0.33 -0.14 -0.15 0.00 -1.10 0.00 0.00 59.98 58.93 1npb h ARG 122 Cb -0.09 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.31 1npb h ARG 122 CO -0.07 0.76 -0.43 -0.07 2.80 0.00 0.00 179.97 182.96 1npb h LEU 123 N 0.97 0.81 -0.90 3.80 3.38 -0.34 -1.03 115.31 121.99 1npb h LEU 123 Ca 0.24 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1npb h LEU 123 Cb 0.12 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1npb h LEU 123 CO -0.03 1.19 0.59 0.00 0.09 0.00 0.00 178.44 180.28 1npb h ALA 124 N 0.65 1.17 -0.19 1.53 0.00 -0.68 0.45 119.26 122.19 1npb h ALA 124 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1npb h ALA 124 Cb 1.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1npb h ALA 124 CO 0.10 0.49 0.10 0.00 0.00 0.00 0.00 179.25 179.94 1npb h ALA 125 N 1.36 0.25 -0.33 0.00 0.00 -0.22 -1.43 119.26 118.88 1npb h ALA 125 Ca 0.35 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1npb h ALA 125 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1npb h ALA 125 CO -0.10 -0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.15 1npb h ARG 127 N 0.36 0.74 -0.32 0.00 2.47 0.11 -1.30 114.38 116.44 1npb h ARG 127 Ca 0.13 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1npb h ARG 127 Cb 0.09 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1npb h ARG 127 CO -0.03 0.73 -0.02 0.93 0.56 0.00 0.00 179.97 182.15 1npb h GLU 128 N 0.70 0.57 -2.12 0.04 4.39 -0.82 -3.41 114.58 113.93 1npb h GLU 128 Ca 0.14 -0.19 -0.45 0.00 0.34 0.00 0.00 59.36 59.20 1npb h GLU 128 Cb 0.40 -0.05 -0.33 0.00 -0.10 0.00 0.00 28.75 28.67 1npb h GLU 128 CO 0.01 0.72 -0.77 0.21 -1.16 0.00 0.00 179.01 178.03 1npb s LYS 129 N -4.93 0.69 0.41 2.33 2.47 -0.49 -5.12 119.74 115.10 1npb s LYS 129 Ca -0.13 -1.23 -0.26 0.00 -1.56 0.00 0.00 55.97 52.79 1npb s LYS 129 Cb 0.09 -0.95 -0.08 0.00 -1.46 0.00 0.00 37.83 35.42 1npb s LYS 129 CO 0.77 -1.24 1.26 -2.14 0.16 0.00 0.00 175.35 174.16 1npb s PRO 130 N 1.05 3.97 0.92 4.03 0.02 -0.52 -4.52 135.00 139.95 1npb s PRO 130 Ca 0.21 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 1npb s PRO 130 Cb -0.13 -2.72 0.15 0.00 0.02 0.00 0.00 34.50 31.82 1npb s PRO 130 CO -0.05 -0.45 1.09 0.71 -0.33 0.00 0.00 177.00 177.97 1npb s TYR 131 N -1.31 2.08 0.21 6.54 4.12 -1.26 -4.97 117.35 122.76 1npb s TYR 131 Ca 0.57 1.38 -0.32 0.00 0.02 0.00 0.00 57.07 58.73 1npb s TYR 131 Cb -0.36 -3.17 -0.12 0.00 -1.52 0.00 0.00 41.96 36.79 1npb s TYR 131 CO 0.45 -2.62 1.72 0.00 0.02 0.00 0.00 175.55 175.12 1npb n ALA 132 N -4.06 2.80 -1.00 3.71 0.00 -1.26 -2.71 120.51 117.99 1npb n ALA 132 Ca 0.08 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.92 1npb n ALA 132 Cb 0.54 -2.52 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 1npb n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1npb n GLY 133 N 3.86 0.48 3.76 0.00 0.00 -1.26 -4.97 105.19 107.07 1npb n GLY 133 Ca 0.16 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1npb n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1npb s MET 134 N -0.31 4.24 -0.08 1.61 1.75 -1.10 -5.01 119.30 120.40 1npb s MET 134 Ca 0.00 2.36 -0.03 0.00 -1.25 0.00 0.00 55.69 56.77 1npb s MET 134 Cb 0.00 -3.06 0.04 0.00 2.84 0.00 0.00 34.83 34.66 1npb s MET 134 CO 0.00 -0.40 0.14 0.08 -0.65 0.00 0.00 175.02 174.20 1npb s VAL 135 N -0.59 -0.22 0.02 10.11 1.01 -1.26 -5.04 120.40 124.43 1npb s VAL 135 Ca 0.55 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 1npb s VAL 135 Cb -0.43 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1npb s VAL 135 CO 0.51 0.15 0.30 -0.36 0.00 0.00 0.00 175.10 175.70 1npb s PHE 136 N 2.17 3.59 -2.00 5.22 0.40 -1.26 -4.98 117.98 121.11 1npb s PHE 136 Ca 0.02 0.64 0.03 0.00 -0.60 0.00 0.00 56.93 57.02 1npb s PHE 136 Cb -0.12 -2.04 0.17 0.00 0.51 0.00 0.00 43.02 41.54 1npb s PHE 136 CO -0.05 0.60 0.50 2.41 0.70 0.00 0.00 175.22 179.37 1npb n THR 137 N 1.13 0.00 0.55 0.64 -1.04 -1.26 -5.29 114.28 109.01 1npb n THR 137 Ca -0.11 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.97 1npb n THR 137 Cb 0.53 -0.54 0.05 0.00 -1.82 0.00 0.00 70.33 68.55 1npb n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89