#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2s s THR 2 N 0.00 4.81 -0.39 3.15 2.01 0.46 -4.98 115.64 120.71 2k2s s THR 2 Ca 0.00 -1.27 -0.23 0.00 0.31 0.00 0.00 61.69 60.50 2k2s s THR 2 Cb 0.00 -4.61 0.01 0.00 0.01 0.00 0.00 72.50 67.91 2k2s s THR 2 CO 0.00 -1.29 0.78 -1.61 -0.69 0.00 0.00 174.62 171.81 2k2s s GLU 3 N 2.58 3.66 -0.09 4.92 2.02 -1.26 0.18 118.70 130.70 2k2s s GLU 3 Ca 0.21 0.19 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 2k2s s GLU 3 Cb -0.15 -3.84 -0.00 0.00 0.10 0.00 0.00 34.13 30.23 2k2s s GLU 3 CO 0.00 -0.92 -0.02 0.82 0.02 0.00 0.00 175.26 175.16 2k2s h ILE 4 N 5.81 0.00 -5.89 -1.63 1.08 -0.85 -3.48 117.51 112.55 2k2s h ILE 4 Ca -0.25 -0.87 -0.36 0.00 -0.39 0.00 0.00 64.86 62.99 2k2s h ILE 4 Cb 1.09 0.00 0.13 0.00 -3.07 0.00 0.00 36.82 34.97 2k2s h ILE 4 CO 0.92 0.00 -0.88 1.41 -0.69 0.00 0.00 178.15 178.91 2k2s n HIS 5 N -4.41 -2.13 -1.96 1.37 8.25 0.79 -4.95 115.22 112.19 2k2s n HIS 5 Ca -0.01 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 2k2s n HIS 5 Cb 0.03 -3.94 0.00 0.00 1.12 0.00 0.00 29.99 27.20 2k2s n HIS 5 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k2s n GLY 6 N -1.47 3.78 0.01 -1.41 0.00 -1.26 -4.87 105.19 99.96 2k2s n GLY 6 Ca -0.13 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.11 2k2s n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2s n ASP 7 N 0.00 0.99 -3.45 1.61 9.92 -1.26 -3.59 116.55 120.76 2k2s n ASP 7 Ca 0.00 -0.20 -0.13 0.00 -0.53 0.00 0.00 54.79 53.93 2k2s n ASP 7 Cb 0.00 1.62 -0.03 0.00 -0.64 0.00 0.00 41.12 42.07 2k2s n ASP 7 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2k2s s SER 8 N -3.68 -0.57 0.19 -2.24 1.04 -1.26 -0.42 113.70 106.76 2k2s s SER 8 Ca -0.04 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.42 2k2s s SER 8 Cb 0.11 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.81 2k2s s SER 8 CO 0.71 -0.85 0.45 0.28 0.98 0.00 0.00 173.24 174.82 2k2s s THR 9 N -3.07 0.04 -0.01 2.02 -1.32 0.14 -4.99 115.64 108.44 2k2s s THR 9 Ca -0.01 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 2k2s s THR 9 Cb -0.01 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2k2s s THR 9 CO -0.07 -0.16 0.01 -0.54 -2.21 0.00 0.00 174.62 171.65 2k2s s LYS 10 N -3.91 -0.00 0.34 7.08 1.02 -1.26 0.55 119.74 123.56 2k2s s LYS 10 Ca 0.12 0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.28 2k2s s LYS 10 Cb 0.00 -0.15 -0.07 0.00 -0.52 0.00 0.00 37.83 37.09 2k2s s LYS 10 CO -0.01 -0.09 -0.03 0.00 -0.92 0.00 0.00 175.35 174.30 2k2s s ALA 11 N 0.58 2.78 -0.32 5.17 0.00 0.15 -4.96 121.76 125.16 2k2s s ALA 11 Ca -0.05 -2.10 -0.07 0.00 0.00 0.00 0.00 51.96 49.73 2k2s s ALA 11 Cb -0.07 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2k2s s ALA 11 CO -0.02 -0.08 0.11 0.99 0.00 0.00 0.00 175.76 176.77 2k2s s THR 12 N -2.84 4.00 0.44 0.00 2.01 -1.26 0.40 115.64 118.38 2k2s s THR 12 Ca 0.33 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2k2s s THR 12 Cb 0.06 -3.16 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 2k2s s THR 12 CO 0.16 -0.06 0.84 -0.22 -0.69 0.00 0.00 174.62 174.64 2k2s s LEU 13 N 1.47 3.77 -0.12 4.42 2.96 0.15 -4.93 118.68 126.40 2k2s s LEU 13 Ca 0.01 1.27 -0.13 0.00 -0.22 0.00 0.00 54.13 55.06 2k2s s LEU 13 Cb -0.18 -4.17 0.03 0.00 0.50 0.00 0.00 46.19 42.37 2k2s s LEU 13 CO 0.03 -0.45 0.36 -0.70 -1.32 0.00 0.00 176.35 174.27 2k2s s GLU 14 N -3.90 0.46 -0.21 1.98 2.12 -1.26 -1.78 118.70 116.11 2k2s s GLU 14 Ca 0.54 0.41 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 2k2s s GLU 14 Cb -0.10 0.22 -0.07 0.00 0.26 0.00 0.00 34.13 34.44 2k2s s GLU 14 CO 0.31 -0.07 2.18 -1.91 -0.54 0.00 0.00 175.26 175.23 2k2s n GLU 15 N 2.66 1.92 0.00 4.30 0.00 -1.26 0.33 120.64 128.59 2k2s n GLU 15 Ca -0.14 0.55 0.00 0.00 0.00 0.00 0.00 57.16 57.57 2k2s n GLU 15 Cb 0.57 -3.07 0.00 0.00 0.00 0.00 0.00 31.44 28.94 2k2s n GLU 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k2s n GLY 16 N 5.72 0.64 3.31 8.31 0.00 0.13 -4.91 105.19 118.39 2k2s n GLY 16 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.16 2k2s n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k2s s GLN 17 N -0.62 1.23 0.26 1.61 -0.21 0.15 -0.15 119.66 121.93 2k2s s GLN 17 Ca 0.00 -1.55 0.09 0.00 0.02 0.00 0.00 55.36 53.92 2k2s s GLN 17 Cb 0.00 -0.88 -0.05 0.00 1.00 0.00 0.00 33.01 33.08 2k2s s GLN 17 CO 0.00 0.11 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.49 2k2s s GLN 18 N -3.71 1.54 -0.17 2.91 -0.21 0.83 -3.07 119.66 117.78 2k2s s GLN 18 Ca 0.21 -1.73 -0.00 0.00 0.02 0.00 0.00 55.36 53.85 2k2s s GLN 18 Cb 0.01 -1.40 0.04 0.00 1.00 0.00 0.00 33.01 32.67 2k2s s GLN 18 CO 0.05 0.19 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.85 2k2s s LEU 19 N -3.44 1.71 -0.16 2.90 1.43 0.23 -0.19 118.68 121.16 2k2s s LEU 19 Ca 0.28 -0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 2k2s s LEU 19 Cb -0.01 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2k2s s LEU 19 CO 0.12 -0.19 0.10 -0.89 0.23 0.00 0.00 176.35 175.71 2k2s s THR 20 N 1.61 5.10 -0.20 5.49 2.01 0.19 0.05 115.64 129.90 2k2s s THR 20 Ca -0.00 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2k2s s THR 20 Cb -0.16 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.11 2k2s s THR 20 CO -0.08 0.50 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.01 2k2s s LEU 21 N -0.08 2.45 -0.61 4.42 2.96 0.21 0.84 118.68 128.88 2k2s s LEU 21 Ca 0.08 -0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 52.88 2k2s s LEU 21 Cb -0.12 -1.34 0.10 0.00 0.50 0.00 0.00 46.19 45.33 2k2s s LEU 21 CO 0.01 -0.12 0.74 -0.89 -1.32 0.00 0.00 176.35 174.77 2k2s s THR 22 N 1.32 4.77 0.35 3.68 2.01 0.23 0.27 115.64 128.27 2k2s s THR 22 Ca -0.01 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.09 2k2s s THR 22 Cb -0.16 -4.52 -0.07 0.00 0.01 0.00 0.00 72.50 67.76 2k2s s THR 22 CO -0.09 -1.17 0.01 0.72 -0.69 0.00 0.00 174.62 173.41 2k2s s PHE 23 N 2.81 2.22 -0.31 4.92 -0.71 0.57 0.50 117.98 127.98 2k2s s PHE 23 Ca 0.13 -0.78 0.02 0.00 -1.04 0.00 0.00 56.93 55.26 2k2s s PHE 23 Cb -0.23 -1.47 0.09 0.00 -1.21 0.00 0.00 43.02 40.20 2k2s s PHE 23 CO 0.06 0.26 0.04 0.42 -1.34 0.00 0.00 175.22 174.66 2k2s s ILE 24 N -2.98 1.71 0.26 -4.49 1.01 -1.11 -0.03 121.20 115.57 2k2s s ILE 24 Ca 0.35 -1.83 0.01 0.00 0.00 0.00 0.00 60.65 59.18 2k2s s ILE 24 Cb 0.08 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 2k2s s ILE 24 CO 0.16 -0.51 0.11 -0.55 0.00 0.00 0.00 174.94 174.14 2k2s s SER 25 N 1.22 1.18 0.00 3.58 0.15 -0.65 -3.41 113.70 115.77 2k2s s SER 25 Ca 0.07 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2k2s s SER 25 Cb -0.18 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2k2s s SER 25 CO -0.13 -0.76 0.21 0.35 1.20 0.00 0.00 173.24 174.11 2k2s n THR 26 N -0.47 0.00 -2.70 6.45 -2.24 -1.26 -4.04 114.28 110.02 2k2s n THR 26 Ca 0.00 -0.32 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 2k2s n THR 26 Cb 0.66 1.22 0.06 0.00 -2.10 0.00 0.00 70.33 70.18 2k2s n THR 26 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k2s n LYS 27 N -0.23 0.34 -3.24 -0.78 3.00 -1.21 -1.85 118.16 114.18 2k2s n LYS 27 Ca 0.00 -1.07 -0.39 0.00 -0.00 0.00 0.00 58.31 56.85 2k2s n LYS 27 Cb 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 35.03 34.40 2k2s n LYS 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2k2s s LEU 28 N -0.15 4.38 -0.12 3.14 2.96 -1.01 -4.83 118.68 123.06 2k2s s LEU 28 Ca 0.28 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.29 2k2s s LEU 28 Cb 0.20 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 44.03 2k2s s LEU 28 CO -0.13 0.08 -0.20 1.51 -1.32 0.00 0.00 176.35 176.29 2k2s s ASP 29 N -0.00 2.87 0.11 3.68 -4.77 -0.00 0.68 116.67 119.24 2k2s s ASP 29 Ca 0.30 -0.54 0.05 0.00 -3.30 0.00 0.00 52.55 49.06 2k2s s ASP 29 Cb -0.17 -1.32 -0.04 0.00 -1.09 0.00 0.00 42.92 40.30 2k2s s ASP 29 CO 0.15 0.07 -0.12 0.68 0.70 0.00 0.00 175.17 176.65 2k2s s VAL 30 N 0.78 1.18 -0.01 2.11 -7.23 -0.48 -2.24 120.40 114.52 2k2s s VAL 30 Ca -0.09 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 2k2s s VAL 30 Cb -0.16 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2k2s s VAL 30 CO 0.00 -0.48 0.05 0.00 -0.31 0.00 0.00 175.10 174.36 2k2s s ALA 31 N -2.29 -0.11 -0.14 1.32 0.00 -0.63 -0.65 121.76 119.27 2k2s s ALA 31 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 2k2s s ALA 31 Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2k2s s ALA 31 CO 0.02 -0.07 0.01 0.08 0.00 0.00 0.00 175.76 175.80 2k2s s VAL 32 N -0.37 4.31 -0.84 0.00 1.01 0.10 -0.06 120.40 124.56 2k2s s VAL 32 Ca -0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2k2s s VAL 32 Cb -0.03 -2.88 -0.11 0.00 0.00 0.00 0.00 36.38 33.37 2k2s s VAL 32 CO 0.00 0.53 2.00 0.61 0.00 0.00 0.00 175.10 178.24 2k2s n GLY 33 N 3.00 2.84 0.52 4.51 0.00 0.37 -3.36 105.19 113.07 2k2s n GLY 33 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2k2s n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k2s n SER 34 N 6.00 0.00 -3.15 1.61 2.88 -1.26 -3.90 113.62 115.80 2k2s n SER 34 Ca 0.47 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 58.05 2k2s n SER 34 Cb 0.28 0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 2k2s n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k2s s HIS 36 N 2.86 -0.22 -0.10 0.00 5.65 -1.23 -4.46 115.29 117.80 2k2s s HIS 36 Ca 0.16 0.50 -0.18 0.00 0.25 0.00 0.00 55.06 55.78 2k2s s HIS 36 Cb -0.13 0.35 0.04 0.00 -1.18 0.00 0.00 32.58 31.66 2k2s s HIS 36 CO -0.22 -0.11 0.45 -1.12 -0.65 0.00 0.00 174.74 173.10 2k2s s SER 37 N 0.45 -0.42 0.13 9.88 0.01 -0.74 0.03 113.70 123.04 2k2s s SER 37 Ca 0.01 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.74 2k2s s SER 37 Cb -0.04 0.66 0.02 0.00 0.21 0.00 0.00 66.02 66.87 2k2s s SER 37 CO -0.12 -0.34 0.36 -1.48 0.41 0.00 0.00 173.24 172.07 2k2s s LEU 38 N -0.55 0.62 -0.17 2.44 2.34 0.18 0.10 118.68 123.63 2k2s s LEU 38 Ca -0.07 -0.46 -0.02 0.00 0.06 0.00 0.00 54.13 53.64 2k2s s LEU 38 Cb -0.03 1.65 0.05 0.00 -0.56 0.00 0.00 46.19 47.30 2k2s s LEU 38 CO 0.04 -0.86 0.00 -0.69 -1.06 0.00 0.00 176.35 173.78 2k2s s VAL 39 N -3.84 0.71 -1.06 1.48 1.01 0.31 -1.38 120.40 117.64 2k2s s VAL 39 Ca 0.06 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2k2s s VAL 39 Cb 0.02 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.40 2k2s s VAL 39 CO -0.09 -0.06 1.44 0.00 0.00 0.00 0.00 175.10 176.39 2k2s s ALA 40 N 1.79 2.99 -1.45 5.51 0.00 0.21 -0.82 121.76 130.00 2k2s s ALA 40 Ca -0.00 -2.52 -0.13 0.00 0.00 0.00 0.00 51.96 49.32 2k2s s ALA 40 Cb -0.16 -4.44 -0.02 0.00 0.00 0.00 0.00 23.12 18.49 2k2s s ALA 40 CO -0.07 -3.41 2.47 0.09 0.00 0.00 0.00 175.76 174.83 2k2s n ASN 41 N 8.23 5.59 -0.18 0.00 4.13 -0.28 -2.40 115.26 130.35 2k2s n ASN 41 Ca 0.34 -2.71 -0.03 0.00 1.68 0.00 0.00 54.58 53.87 2k2s n ASN 41 Cb 0.49 -1.56 0.07 0.00 -1.54 0.00 0.00 39.78 37.25 2k2s n ASN 41 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 2k2s h PHE 42 N 5.79 0.47 0.17 3.10 0.04 -1.60 -0.00 116.94 124.91 2k2s h PHE 42 Ca 0.67 0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.47 2k2s h PHE 42 Cb 0.49 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2k2s h PHE 42 CO 1.62 0.20 -0.21 -0.07 -0.60 0.00 0.00 178.31 179.26 2k2s h LEU 43 N 0.49 -0.56 -1.66 1.54 3.38 -1.65 -0.87 115.31 115.98 2k2s h LEU 43 Ca 0.25 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2k2s h LEU 43 Cb 0.20 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2k2s h LEU 43 CO -0.20 -0.30 0.00 -0.78 0.09 0.00 0.00 178.44 177.25 2k2s h ASP 44 N -0.42 0.00 -1.15 -0.43 1.82 -1.81 -3.47 116.42 110.96 2k2s h ASP 44 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k2s h ASP 44 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2k2s h ASP 44 CO -0.07 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.17 2k2s n GLY 45 N -0.12 0.76 3.31 -0.78 0.00 -0.16 -4.96 105.19 103.24 2k2s n GLY 45 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2k2s n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k2s s PHE 46 N -2.74 -0.33 -0.27 1.61 -0.12 -0.35 0.09 117.98 115.86 2k2s s PHE 46 Ca 0.00 0.60 -0.02 0.00 -0.05 0.00 0.00 56.93 57.46 2k2s s PHE 46 Cb 0.00 0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.59 2k2s s PHE 46 CO 0.00 -0.41 -0.03 -1.17 -0.05 0.00 0.00 175.22 173.57 2k2s s LEU 47 N -1.03 3.47 -0.14 -1.99 2.96 0.23 -1.12 118.68 121.06 2k2s s LEU 47 Ca -0.11 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 52.80 2k2s s LEU 47 Cb -0.04 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2k2s s LEU 47 CO 0.05 -0.17 0.04 -0.75 -1.32 0.00 0.00 176.35 174.20 2k2s s LYS 48 N 1.33 3.53 -0.08 1.98 2.20 -0.00 0.30 119.74 129.00 2k2s s LYS 48 Ca -0.01 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.16 2k2s s LYS 48 Cb -0.18 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2k2s s LYS 48 CO -0.03 0.49 0.23 -0.59 -0.36 0.00 0.00 175.35 175.10 2k2s s PHE 49 N -0.25 -0.23 0.29 4.03 -0.71 -0.03 0.12 117.98 121.18 2k2s s PHE 49 Ca 0.07 0.56 0.10 0.00 -1.04 0.00 0.00 56.93 56.62 2k2s s PHE 49 Cb -0.12 0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 2k2s s PHE 49 CO 0.02 -0.15 -0.14 1.14 -1.34 0.00 0.00 175.22 174.75 2k2s s GLN 50 N -0.06 1.65 -0.29 1.99 -2.07 0.29 -0.32 119.66 120.84 2k2s s GLN 50 Ca -0.02 -1.79 -0.01 0.00 -1.82 0.00 0.00 55.36 51.72 2k2s s GLN 50 Cb -0.02 -1.56 0.09 0.00 -1.09 0.00 0.00 33.01 30.43 2k2s s GLN 50 CO 0.01 0.21 0.08 0.95 -1.32 0.00 0.00 175.29 175.21 2k2s s THR 51 N -2.69 0.92 -4.32 3.63 -4.23 -1.26 -1.79 115.64 105.90 2k2s s THR 51 Ca 0.29 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2k2s s THR 51 Cb -0.01 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.22 2k2s s THR 51 CO 0.14 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2k2s n GLY 52 N 4.85 0.92 0.00 3.99 0.00 -1.26 -4.90 105.19 108.78 2k2s n GLY 52 Ca -0.04 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2k2s n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k2s n SER 53 N 2.59 0.00 -4.35 1.61 7.64 -1.26 -4.51 113.62 115.34 2k2s n SER 53 Ca 0.00 0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.85 2k2s n SER 53 Cb 0.00 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 2k2s n SER 53 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k2s s ASN 54 N -1.93 5.71 0.10 6.43 3.84 -1.26 -5.05 114.94 122.77 2k2s s ASN 54 Ca 0.00 -1.10 -0.15 0.00 0.21 0.00 0.00 52.86 51.82 2k2s s ASN 54 Cb 0.00 -2.01 0.03 0.00 -0.55 0.00 0.00 41.25 38.71 2k2s s ASN 54 CO 0.00 -0.42 0.35 -0.44 -2.79 0.00 0.00 177.10 173.81 2k2s s SER 55 N 1.66 -0.16 0.21 -4.21 0.01 -1.26 -5.08 113.70 104.86 2k2s s SER 55 Ca 0.02 -0.32 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2k2s s SER 55 Cb -0.20 0.43 -0.08 0.00 0.21 0.00 0.00 66.02 66.38 2k2s s SER 55 CO 0.06 -0.78 0.92 0.00 0.41 0.00 0.00 173.24 173.85 2k2s s ALA 56 N -3.51 3.34 -0.13 1.44 0.00 -1.26 -4.88 121.76 116.77 2k2s s ALA 56 Ca 0.01 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 2k2s s ALA 56 Cb 0.02 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 2k2s s ALA 56 CO -0.10 0.18 0.54 -0.06 0.00 0.00 0.00 175.76 176.32 2k2s s PHE 57 N -0.96 3.49 0.54 0.00 0.40 -1.26 -4.47 117.98 115.73 2k2s s PHE 57 Ca 0.41 0.95 -0.16 0.00 -0.60 0.00 0.00 56.93 57.52 2k2s s PHE 57 Cb -0.25 -2.64 -0.06 0.00 0.51 0.00 0.00 43.02 40.58 2k2s s PHE 57 CO 0.31 0.08 1.01 0.34 0.70 0.00 0.00 175.22 177.67 2k2s s ASP 58 N 0.78 6.29 -0.11 1.36 -1.08 0.56 -4.56 116.67 119.91 2k2s s ASP 58 Ca 0.28 1.68 -0.00 0.00 -0.52 0.00 0.00 52.55 53.99 2k2s s ASP 58 Cb -0.16 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.76 2k2s s ASP 58 CO 0.12 -0.81 -0.10 -0.69 0.52 0.00 0.00 175.17 174.20 2k2s s VAL 59 N -2.52 3.34 -0.23 1.11 1.01 -1.24 -0.85 120.40 121.01 2k2s s VAL 59 Ca 0.61 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2k2s s VAL 59 Cb -0.13 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2k2s s VAL 59 CO 0.32 0.54 -0.05 0.54 0.00 0.00 0.00 175.10 176.45 2k2s s VAL 60 N -0.00 3.13 0.41 2.92 0.11 0.15 -4.87 120.40 122.24 2k2s s VAL 60 Ca -0.02 -0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 58.04 2k2s s VAL 60 Cb -0.14 -2.48 -0.10 0.00 -1.53 0.00 0.00 36.38 32.13 2k2s s VAL 60 CO 0.04 0.34 1.42 -0.62 -3.33 0.00 0.00 175.10 172.94 2k2s n GLU 61 N 4.74 2.37 -4.93 1.54 1.02 -1.26 0.76 120.64 124.88 2k2s n GLU 61 Ca -0.18 0.84 -0.33 0.00 -0.02 0.00 0.00 57.16 57.47 2k2s n GLU 61 Cb 0.49 -2.58 -0.13 0.00 -0.02 0.00 0.00 31.44 29.20 2k2s n GLU 61 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k2s s VAL 62 N -1.15 2.96 -0.34 2.62 1.01 0.11 -4.78 120.40 120.83 2k2s s VAL 62 Ca 0.57 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 2k2s s VAL 62 Cb -0.48 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2k2s s VAL 62 CO 0.61 0.59 3.06 1.21 0.00 0.00 0.00 175.10 180.56 2k2s n GLU 63 N 2.37 2.34 -2.85 2.72 4.07 -1.26 -4.54 120.64 123.48 2k2s n GLU 63 Ca -0.17 -1.92 -0.08 0.00 -0.06 0.00 0.00 57.16 54.93 2k2s n GLU 63 Cb 0.52 -2.12 0.01 0.00 -0.06 0.00 0.00 31.44 29.80 2k2s n GLU 63 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2k2s n GLU 64 N 1.48 -2.39 -1.23 5.31 -0.58 -1.26 -4.55 120.64 117.42 2k2s n GLU 64 Ca 0.48 2.12 -0.31 0.00 -0.42 0.00 0.00 57.16 59.03 2k2s n GLU 64 Cb 0.66 -5.66 0.10 0.00 -0.57 0.00 0.00 31.44 25.97 2k2s n GLU 64 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2k2s s PRO 65 N -2.61 2.10 0.00 3.49 0.02 -1.26 -0.55 135.00 136.19 2k2s s PRO 65 Ca 0.25 1.29 0.15 0.00 0.02 0.00 0.00 61.00 62.71 2k2s s PRO 65 Cb -0.07 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 2k2s s PRO 65 CO 0.77 -1.78 0.70 0.00 -0.33 0.00 0.00 177.00 176.37 2k2s n ALA 66 N -3.48 3.74 0.00 -1.55 0.00 0.33 -4.39 120.51 115.16 2k2s n ALA 66 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2k2s n ALA 66 Cb 0.53 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2k2s n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2s n GLY 67 N 1.29 2.40 3.71 0.00 0.00 -1.26 -5.00 105.19 106.33 2k2s n GLY 67 Ca 0.04 -0.52 -0.56 0.00 0.00 0.00 0.00 46.02 44.98 2k2s n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k2s n PRO 68 N 0.00 1.25 -3.78 1.61 -0.02 -1.26 -1.63 135.00 131.16 2k2s n PRO 68 Ca 0.00 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 2k2s n PRO 68 Cb 0.00 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 2k2s n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2s s ALA 69 N 3.48 -0.63 -0.28 3.55 0.00 0.96 0.02 121.76 128.86 2k2s s ALA 69 Ca 0.97 0.73 -0.05 0.00 0.00 0.00 0.00 51.96 53.61 2k2s s ALA 69 Cb -1.03 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 21.67 2k2s s ALA 69 CO 0.64 -0.12 0.04 0.08 0.00 0.00 0.00 175.76 176.39 2k2s s VAL 70 N 0.17 3.64 -0.23 0.00 1.01 0.28 -0.31 120.40 124.95 2k2s s VAL 70 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2k2s s VAL 70 Cb -0.02 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2k2s s VAL 70 CO 0.00 0.13 -0.00 -0.22 0.00 0.00 0.00 175.10 175.01 2k2s s LEU 71 N 1.45 3.10 -0.05 3.92 0.20 0.14 0.56 118.68 128.01 2k2s s LEU 71 Ca 0.02 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.54 2k2s s LEU 71 Cb -0.17 -1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 43.77 2k2s s LEU 71 CO 0.00 -0.03 -0.20 -0.89 -0.29 0.00 0.00 176.35 174.94 2k2s s THR 72 N 1.52 2.50 -0.11 3.68 2.01 0.33 0.63 115.64 126.20 2k2s s THR 72 Ca 0.06 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2k2s s THR 72 Cb -0.15 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.46 2k2s s THR 72 CO -0.01 0.58 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.83 2k2s s ILE 73 N -0.47 0.75 -0.02 1.82 1.01 0.11 0.07 121.20 124.46 2k2s s ILE 73 Ca 0.06 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.51 2k2s s ILE 73 Cb -0.12 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.47 2k2s s ILE 73 CO 0.01 0.24 -0.05 -0.83 0.00 0.00 0.00 174.94 174.31 2k2s s GLY 74 N 1.81 0.38 -0.08 6.18 0.00 -0.04 0.77 107.32 116.34 2k2s s GLY 74 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2k2s s GLY 74 CO -0.07 0.12 -0.07 -2.27 0.00 0.00 0.00 173.10 170.81 2k2s s LEU 75 N 0.40 3.16 -0.07 0.66 2.96 -1.17 0.40 118.68 125.02 2k2s s LEU 75 Ca -0.05 -0.05 0.12 0.00 -0.22 0.00 0.00 54.13 53.94 2k2s s LEU 75 Cb -0.09 -1.70 0.23 0.00 0.50 0.00 0.00 46.19 45.14 2k2s s LEU 75 CO -0.00 0.33 1.11 0.61 -1.32 0.00 0.00 176.35 177.08 2k2s n GLY 76 N 2.43 2.45 2.16 7.98 0.00 0.27 0.22 105.19 120.70 2k2s n GLY 76 Ca -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2k2s n GLY 76 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k2s n HIS 77 N -0.43 -4.05 0.00 1.61 8.25 -1.26 -4.90 115.22 114.45 2k2s n HIS 77 Ca 0.08 1.13 0.00 0.00 -0.26 0.00 0.00 57.72 58.67 2k2s n HIS 77 Cb 0.78 2.96 0.00 0.00 1.12 0.00 0.00 29.99 34.85 2k2s n HIS 77 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2k2s n LYS 78 N -3.17 0.00 -0.02 -0.41 -0.00 -1.26 -4.49 118.16 108.82 2k2s n LYS 78 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2k2s n LYS 78 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 2k2s n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k2s n GLY 79 N 0.00 -0.50 3.55 2.58 0.00 -1.21 -3.16 105.19 106.45 2k2s n GLY 79 Ca 0.00 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2k2s n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2s s ARG 80 N -2.62 2.90 0.13 1.61 3.00 -1.16 -0.34 118.95 122.47 2k2s s ARG 80 Ca -0.04 0.04 0.09 0.00 -1.00 0.00 0.00 55.73 54.82 2k2s s ARG 80 Cb 0.06 -4.49 -0.04 0.00 0.00 0.00 0.00 34.95 30.47 2k2s s ARG 80 CO 0.45 -2.57 -0.15 -0.48 0.00 0.00 0.00 175.30 172.55 2k2s s LEU 81 N 7.69 2.79 -0.06 -0.88 0.05 0.50 -0.57 118.68 128.20 2k2s s LEU 81 Ca 0.55 -0.56 0.04 0.00 0.05 0.00 0.00 54.13 54.21 2k2s s LEU 81 Cb -0.09 -1.59 0.00 0.00 -2.05 0.00 0.00 46.19 42.46 2k2s s LEU 81 CO 0.13 0.16 -0.18 0.00 -0.55 0.00 0.00 176.35 175.91 2k2s s ALA 82 N -1.31 1.62 -0.19 1.48 0.00 0.16 0.36 121.76 123.88 2k2s s ALA 82 Ca 0.20 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2k2s s ALA 82 Cb -0.10 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2k2s s ALA 82 CO 0.12 0.24 -0.17 0.08 0.00 0.00 0.00 175.76 176.02 2k2s s VAL 83 N 0.29 1.97 -0.22 0.00 1.01 0.70 -0.86 120.40 123.30 2k2s s VAL 83 Ca -0.11 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 2k2s s VAL 83 Cb -0.14 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2k2s s VAL 83 CO 0.04 0.40 0.12 -0.69 0.00 0.00 0.00 175.10 174.98 2k2s s VAL 84 N 1.30 5.15 -0.14 2.92 1.01 0.11 -1.33 120.40 129.42 2k2s s VAL 84 Ca 0.02 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2k2s s VAL 84 Cb -0.14 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.88 2k2s s VAL 84 CO -0.11 0.39 -0.18 -0.22 0.00 0.00 0.00 175.10 174.98 2k2s s LEU 85 N 0.81 1.90 -0.27 3.92 1.98 0.31 0.12 118.68 127.45 2k2s s LEU 85 Ca 0.06 -0.53 0.02 0.00 -2.89 0.00 0.00 54.13 50.79 2k2s s LEU 85 Cb -0.13 -1.28 0.05 0.00 0.66 0.00 0.00 46.19 45.49 2k2s s LEU 85 CO 0.02 0.02 -0.09 -1.81 -1.89 0.00 0.00 176.35 172.61 2k2s s ASP 86 N 1.07 4.49 -0.04 3.68 1.01 0.19 0.12 116.67 127.19 2k2s s ASP 86 Ca -0.03 -1.32 0.06 0.00 0.71 0.00 0.00 52.55 51.97 2k2s s ASP 86 Cb -0.14 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.18 2k2s s ASP 86 CO -0.05 -0.20 -0.23 -0.72 0.21 0.00 0.00 175.17 174.19 2k2s s TYR 87 N 1.15 2.46 0.11 4.23 1.13 0.81 0.99 117.35 128.23 2k2s s TYR 87 Ca -0.07 -0.46 -0.30 0.00 -1.41 0.00 0.00 57.07 54.82 2k2s s TYR 87 Cb -0.20 -1.57 -0.07 0.00 -1.10 0.00 0.00 41.96 39.03 2k2s s TYR 87 CO -0.04 -0.05 1.22 0.99 -2.51 0.00 0.00 175.55 175.16 2k2s s THR 88 N -0.48 3.80 0.07 -3.49 2.01 0.10 -0.47 115.64 117.18 2k2s s THR 88 Ca 0.06 1.35 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 2k2s s THR 88 Cb -0.11 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2k2s s THR 88 CO 0.01 0.14 0.36 -0.13 -0.69 0.00 0.00 174.62 174.31 2k2s s ARG 89 N 0.66 3.70 0.10 4.92 0.52 0.61 0.12 118.95 129.58 2k2s s ARG 89 Ca 0.58 0.08 0.20 0.00 -0.52 0.00 0.00 55.73 56.07 2k2s s ARG 89 Cb -0.31 -3.01 0.83 0.00 0.52 0.00 0.00 34.95 32.98 2k2s s ARG 89 CO 0.32 0.58 1.62 1.28 0.02 0.00 0.00 175.30 179.12 2k2s n LEU 90 N 0.89 0.28 -2.04 2.53 4.77 0.28 -3.51 117.00 120.20 2k2s n LEU 90 Ca -0.08 0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 2k2s n LEU 90 Cb 0.52 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2k2s n LEU 90 CO 0.43 -0.32 1.30 0.59 -1.33 0.00 0.00 177.39 178.06 2k2s n ASN 91 N -1.80 6.86 -2.05 -1.43 3.02 -1.26 -4.80 115.26 113.80 2k2s n ASN 91 Ca 0.04 -3.29 -0.19 0.00 -0.03 0.00 0.00 54.58 51.11 2k2s n ASN 91 Cb 0.23 -1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 38.34 2k2s n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2s n ALA 92 N -0.03 -0.52 -3.62 5.41 0.00 -1.23 -4.92 120.51 115.60 2k2s n ALA 92 Ca 0.40 0.18 -0.07 0.00 0.00 0.00 0.00 53.44 53.95 2k2s n ALA 92 Cb 0.60 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 2k2s n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2s n ALA 93 N -1.41 -0.35 -2.54 0.00 0.00 -1.23 -5.06 120.51 109.92 2k2s n ALA 93 Ca -0.22 -0.98 -0.24 0.00 0.00 0.00 0.00 53.44 52.00 2k2s n ALA 93 Cb 0.66 0.79 -0.09 0.00 0.00 0.00 0.00 19.45 20.81 2k2s n ALA 93 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k2s s LEU 94 N 0.00 2.84 -0.09 0.00 2.96 -1.26 -0.28 118.68 122.84 2k2s s LEU 94 Ca 0.17 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2k2s s LEU 94 Cb -0.01 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.32 2k2s s LEU 94 CO 0.12 0.05 0.22 -0.83 -1.32 0.00 0.00 176.35 174.59 2k2s s GLY 95 N -3.36 -0.12 0.07 7.98 0.00 0.38 -4.75 107.32 107.52 2k2s s GLY 95 Ca 0.29 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.98 2k2s s GLY 95 CO 0.16 1.12 -0.22 -0.56 0.00 0.00 0.00 173.10 173.60 2k2s s SER 96 N 1.11 2.71 0.08 1.64 0.01 -1.26 -0.13 113.70 117.85 2k2s s SER 96 Ca -0.08 -0.60 -0.09 0.00 1.31 0.00 0.00 55.95 56.48 2k2s s SER 96 Cb -0.10 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.93 2k2s s SER 96 CO -0.07 0.15 0.20 0.00 0.41 0.00 0.00 173.24 173.94 2k2s s ALA 97 N -0.92 -0.29 0.26 1.44 0.00 0.32 -4.98 121.76 117.58 2k2s s ALA 97 Ca 0.09 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 2k2s s ALA 97 Cb -0.09 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2k2s s ALA 97 CO 0.03 -0.49 0.57 0.00 0.00 0.00 0.00 175.76 175.87 2k2s s ALA 98 N -3.59 -0.59 0.08 0.00 0.00 -1.26 0.11 121.76 116.50 2k2s s ALA 98 Ca 0.03 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 2k2s s ALA 98 Cb 0.04 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.18 2k2s s ALA 98 CO -0.10 -0.92 0.39 1.52 0.00 0.00 0.00 175.76 176.65 2k2s s TYR 99 N -3.98 -0.22 0.02 0.00 -0.85 -0.44 -5.00 117.35 106.88 2k2s s TYR 99 Ca 0.18 0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.82 2k2s s TYR 99 Cb -0.03 0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 2k2s s TYR 99 CO 0.08 -0.61 -0.10 0.14 -1.52 0.00 0.00 175.55 173.54 2k2s s VAL 100 N -3.03 0.78 -0.28 -3.49 -7.23 -1.26 -0.21 120.40 105.67 2k2s s VAL 100 Ca -0.02 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2k2s s VAL 100 Cb 0.00 -0.71 0.07 0.00 0.56 0.00 0.00 36.38 36.31 2k2s s VAL 100 CO -0.06 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.00 2k2s s VAL 101 N -0.66 1.94 0.36 1.32 1.01 0.16 -4.97 120.40 119.56 2k2s s VAL 101 Ca -0.00 -1.71 0.05 0.00 0.00 0.00 0.00 61.98 60.32 2k2s s VAL 101 Cb -0.06 -2.22 0.20 0.00 0.00 0.00 0.00 36.38 34.29 2k2s s VAL 101 CO 0.00 -0.25 1.94 -0.33 0.00 0.00 0.00 175.10 176.46 2k2s h GLU 102 N 7.80 0.55 -2.23 2.72 4.39 -1.82 0.14 114.58 126.13 2k2s h GLU 102 Ca -0.14 -0.08 -0.43 0.00 0.34 0.00 0.00 59.36 59.04 2k2s h GLU 102 Cb 1.04 -0.10 -0.34 0.00 -0.10 0.00 0.00 28.75 29.25 2k2s h GLU 102 CO 0.46 0.49 -0.73 0.34 -1.16 0.00 0.00 179.01 178.42 2k2s s ASP 103 N -6.70 1.95 0.19 1.42 2.15 -1.26 -3.01 116.67 111.42 2k2s s ASP 103 Ca -0.08 -1.58 0.25 0.00 0.43 0.00 0.00 52.55 51.57 2k2s s ASP 103 Cb 0.16 0.21 0.90 0.00 -0.30 0.00 0.00 42.92 43.90 2k2s s ASP 103 CO 0.75 -0.31 1.75 -0.24 -0.17 0.00 0.00 175.17 176.95 2k2s n SER 104 N 4.46 0.63 0.00 -0.34 2.88 0.53 -4.92 113.62 116.87 2k2s n SER 104 Ca 0.08 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 2k2s n SER 104 Cb 0.43 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2k2s n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k2s n GLY 105 N 0.76 0.58 3.88 0.46 0.00 -1.26 -4.54 105.19 105.07 2k2s n GLY 105 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 2k2s n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2s s SER 107 N -4.21 3.84 0.28 0.00 1.04 -1.20 -3.31 113.70 110.15 2k2s s SER 107 Ca 0.40 -0.81 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 2k2s s SER 107 Cb -0.02 -0.47 -0.15 0.00 0.10 0.00 0.00 66.02 65.49 2k2s s SER 107 CO 0.24 0.08 0.81 -1.54 0.98 0.00 0.00 173.24 173.81 2k2s n SER 108 N -0.20 0.31 -2.53 7.02 3.41 -1.26 -4.31 113.62 116.06 2k2s n SER 108 Ca -0.09 1.13 -0.02 0.00 -0.26 0.00 0.00 58.87 59.62 2k2s n SER 108 Cb 0.57 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2k2s n SER 108 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2k2s n SER 109 N 1.44 -6.88 -4.45 4.04 3.41 -1.25 -4.84 113.62 105.08 2k2s n SER 109 Ca 0.12 0.89 -0.26 0.00 -0.26 0.00 0.00 58.87 59.36 2k2s n SER 109 Cb 0.31 -4.55 -0.11 0.00 -0.26 0.00 0.00 64.21 59.60 2k2s n SER 109 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2k2s s GLU 110 N -1.70 1.62 -0.33 4.33 1.03 -0.73 -4.91 118.70 118.00 2k2s s GLU 110 Ca 0.08 -1.57 -0.22 0.00 0.03 0.00 0.00 54.97 53.30 2k2s s GLU 110 Cb -0.02 -1.86 -0.00 0.00 -0.80 0.00 0.00 34.13 31.45 2k2s s GLU 110 CO 0.63 0.38 0.69 -2.00 -1.33 0.00 0.00 175.26 173.64 2k2s s GLU 111 N -2.91 3.83 -0.23 -4.83 2.12 -1.25 0.31 118.70 115.73 2k2s s GLU 111 Ca 0.24 0.30 -0.14 0.00 0.36 0.00 0.00 54.97 55.72 2k2s s GLU 111 Cb -0.07 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2k2s s GLU 111 CO 0.12 -0.69 0.33 0.08 -0.54 0.00 0.00 175.26 174.56 2k2s s VAL 112 N 2.80 5.23 -0.32 3.70 1.01 0.16 0.14 120.40 133.13 2k2s s VAL 112 Ca 0.28 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 2k2s s VAL 112 Cb -0.14 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2k2s s VAL 112 CO 0.14 0.25 0.16 -0.55 0.00 0.00 0.00 175.10 175.10 2k2s s SER 113 N 1.19 5.58 -0.34 3.32 0.15 0.92 0.32 113.70 124.85 2k2s s SER 113 Ca 0.15 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 56.12 2k2s s SER 113 Cb -0.15 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 2k2s s SER 113 CO 0.08 -0.21 0.24 -0.36 1.20 0.00 0.00 173.24 174.19 2k2s s PHE 114 N 1.61 3.23 0.02 3.44 0.40 0.19 -1.60 117.98 125.26 2k2s s PHE 114 Ca 0.04 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 2k2s s PHE 114 Cb -0.17 -2.48 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 2k2s s PHE 114 CO 0.06 -0.35 -0.13 -0.65 0.70 0.00 0.00 175.22 174.86 2k2s s GLN 115 N 1.74 0.91 0.00 0.44 -0.21 -0.95 0.25 119.66 121.84 2k2s s GLN 115 Ca 0.06 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.84 2k2s s GLN 115 Cb -0.17 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 32.94 2k2s s GLN 115 CO 0.11 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 2k2s n GLY 116 N 2.26 0.78 0.25 3.09 0.00 0.44 -0.82 105.19 111.19 2k2s n GLY 116 Ca -0.16 -0.39 0.17 0.00 0.00 0.00 0.00 46.02 45.64 2k2s n GLY 116 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2k2s h VAL 117 N 0.00 0.00 0.00 1.61 -1.51 -1.61 -3.40 116.25 111.35 2k2s h VAL 117 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 2k2s h VAL 117 Cb 0.00 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2k2s h VAL 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2k2s n GLY 118 N -0.55 2.26 3.47 5.19 0.00 -1.24 -2.77 105.19 111.54 2k2s n GLY 118 Ca -0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2k2s n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k2s s SER 119 N -4.00 -0.57 0.00 1.61 0.15 -1.22 -4.34 113.70 105.34 2k2s s SER 119 Ca 0.00 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2k2s s SER 119 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2k2s s SER 119 CO 0.00 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2k2s n GLY 120 N 0.07 0.52 3.74 9.45 0.00 -1.26 -2.75 105.19 114.95 2k2s n GLY 120 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2k2s n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2s s ALA 121 N -2.36 3.64 -0.11 4.61 0.00 -1.25 -4.54 121.76 121.74 2k2s s ALA 121 Ca 0.00 1.30 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 2k2s s ALA 121 Cb 0.00 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.60 2k2s s ALA 121 CO 0.00 -0.72 0.26 0.95 0.00 0.00 0.00 175.76 176.25 2k2s s THR 122 N 0.27 -0.03 0.06 0.00 -4.23 0.18 -0.10 115.64 111.80 2k2s s THR 122 Ca 0.61 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 61.25 2k2s s THR 122 Cb -0.41 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 2k2s s THR 122 CO 0.40 0.04 0.05 -0.22 -0.54 0.00 0.00 174.62 174.35 2k2s s LEU 123 N 0.96 3.70 -0.04 4.79 2.96 0.47 0.74 118.68 132.26 2k2s s LEU 123 Ca -0.07 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2k2s s LEU 123 Cb -0.08 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.31 2k2s s LEU 123 CO -0.06 0.20 0.06 -0.69 -1.32 0.00 0.00 176.35 174.54 2k2s s VAL 124 N -1.30 -0.09 -0.11 1.68 1.01 0.25 -0.40 120.40 121.43 2k2s s VAL 124 Ca 0.26 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 2k2s s VAL 124 Cb -0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2k2s s VAL 124 CO 0.18 0.12 0.41 0.54 0.00 0.00 0.00 175.10 176.36 2k2s s VAL 125 N 1.56 5.20 0.48 2.92 0.11 -1.26 0.56 120.40 129.97 2k2s s VAL 125 Ca -0.03 0.81 0.02 0.00 -2.93 0.00 0.00 61.98 59.84 2k2s s VAL 125 Cb -0.12 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2k2s s VAL 125 CO -0.03 0.39 0.06 0.42 -3.33 0.00 0.00 175.10 172.61 2k2s s THR 126 N 0.27 0.82 0.18 5.04 -4.23 0.73 -4.96 115.64 113.49 2k2s s THR 126 Ca 0.23 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2k2s s THR 126 Cb -0.15 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 2k2s s THR 126 CO 0.09 0.00 0.21 0.42 -0.54 0.00 0.00 174.62 174.80 2k2s s THR 127 N -3.01 4.79 0.91 3.99 -4.23 -1.26 -0.12 115.64 116.71 2k2s s THR 127 Ca 0.10 -1.02 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 2k2s s THR 127 Cb 0.01 -3.50 0.08 0.00 1.34 0.00 0.00 72.50 70.43 2k2s s THR 127 CO 0.07 -0.17 0.77 -0.11 -0.54 0.00 0.00 174.62 174.64 2k2s n LEU 128 N -0.66 1.63 0.00 4.79 7.94 0.79 -4.22 117.00 127.26 2k2s n LEU 128 Ca -0.08 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 2k2s n LEU 128 Cb 0.55 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2k2s n LEU 128 CO 0.45 -2.86 0.00 0.61 -1.11 0.00 0.00 177.39 174.47 2k2s n GLY 129 N 0.95 -0.08 3.62 -3.96 0.00 -1.26 -4.94 105.19 99.52 2k2s n GLY 129 Ca 0.10 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 2k2s n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k2s s GLU 130 N 0.00 0.71 0.00 1.61 2.12 -1.26 -5.12 118.70 116.76 2k2s s GLU 130 Ca 0.00 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.05 2k2s s GLU 130 Cb 0.00 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.73 2k2s s GLU 130 CO 0.00 -0.11 0.00 0.43 -0.54 0.00 0.00 175.26 175.04 2k2s n SER 131 N 2.22 -1.75 -4.77 -1.70 7.64 -1.26 -5.05 113.62 108.95 2k2s n SER 131 Ca -0.14 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.37 2k2s n SER 131 Cb 0.56 -0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 2k2s n SER 131 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k2s s PRO 132 N -0.67 4.19 -0.30 1.43 0.04 -1.26 -5.05 135.00 133.38 2k2s s PRO 132 Ca 0.00 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 2k2s s PRO 132 Cb 0.00 -2.69 0.18 0.00 0.04 0.00 0.00 34.50 32.03 2k2s s PRO 132 CO 0.00 -0.16 1.14 0.99 0.04 0.00 0.00 177.00 179.01 2k2s s THR 133 N -1.49 -0.24 0.04 1.26 2.01 -1.26 -5.19 115.64 110.78 2k2s s THR 133 Ca 0.56 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 2k2s s THR 133 Cb -0.27 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.34 2k2s s THR 133 CO 0.34 0.00 1.19 0.00 -0.69 0.00 0.00 174.62 175.46 2k2s s ALA 134 N 2.63 -2.08 -0.16 7.40 0.00 -1.26 -5.08 121.76 123.21 2k2s s ALA 134 Ca -0.03 0.40 0.18 0.00 0.00 0.00 0.00 51.96 52.52 2k2s s ALA 134 Cb -0.07 0.52 -0.26 0.00 0.00 0.00 0.00 23.12 23.31 2k2s s ALA 134 CO -0.13 -1.06 0.19 1.55 0.00 0.00 0.00 175.76 176.31 2k2s n VAL 135 N -0.55 1.17 -0.84 0.00 3.14 -1.26 -5.16 118.33 114.83 2k2s n VAL 135 Ca -0.06 -0.79 0.00 0.00 -2.96 0.00 0.00 64.34 60.52 2k2s n VAL 135 Cb 0.62 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 2k2s n VAL 135 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13