#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s s LEU 10 N 0.00 3.51 -0.66 4.31 2.96 -1.26 -4.55 118.68 122.99 3i1s s LEU 10 Ca 0.00 -1.50 -0.20 0.00 -0.22 0.00 0.00 54.13 52.21 3i1s s LEU 10 Cb 0.00 -2.57 0.10 0.00 0.50 0.00 0.00 46.19 44.22 3i1s s LEU 10 CO 0.00 -1.53 0.86 -1.10 -1.32 0.00 0.00 176.35 173.26 3i1s s GLN 11 N 5.00 3.14 -0.31 1.98 -1.52 -1.26 -5.01 119.66 121.68 3i1s s GLN 11 Ca 0.47 -1.20 0.01 0.00 -1.95 0.00 0.00 55.36 52.70 3i1s s GLN 11 Cb 0.00 -4.33 0.10 0.00 -0.22 0.00 0.00 33.01 28.56 3i1s s GLN 11 CO -0.08 -1.67 0.06 -2.00 -0.25 0.00 0.00 175.29 171.34 3i1s s GLU 12 N 3.18 1.13 -0.11 2.91 2.12 -1.26 -3.96 118.70 122.72 3i1s s GLU 12 Ca 0.18 -1.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.11 3i1s s GLU 12 Cb -0.19 -2.57 0.03 0.00 0.26 0.00 0.00 34.13 31.66 3i1s s GLU 12 CO 0.06 -0.92 -0.06 0.21 -0.54 0.00 0.00 175.26 174.00 3i1s s LYS 13 N 1.29 1.33 0.58 4.30 2.36 -0.86 -5.01 119.74 123.73 3i1s s LYS 13 Ca 0.09 -0.18 -0.15 0.00 -2.55 0.00 0.00 55.97 53.17 3i1s s LYS 13 Cb -0.18 -1.46 -0.04 0.00 -1.05 0.00 0.00 37.83 35.09 3i1s s LYS 13 CO -0.16 -0.28 1.04 -1.17 1.55 0.00 0.00 175.35 176.33 3i1s s LEU 14 N 1.77 3.48 0.00 5.43 2.96 -1.26 -0.38 118.68 130.67 3i1s s LEU 14 Ca 0.05 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 3i1s s LEU 14 Cb -0.13 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.05 3i1s s LEU 14 CO -0.08 -1.02 0.00 -0.38 -1.32 0.00 0.00 176.35 173.55 3i1s n ILE 15 N -2.05 0.00 -4.06 6.68 5.41 0.43 -4.89 119.36 120.87 3i1s n ILE 15 Ca 0.08 0.04 -0.09 0.00 1.00 0.00 0.00 62.75 63.78 3i1s n ILE 15 Cb 0.53 -0.89 -0.10 0.00 -0.71 0.00 0.00 39.64 38.47 3i1s n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1s s ALA 16 N -2.21 0.44 -0.28 -1.39 0.00 -1.23 -5.01 121.76 112.09 3i1s s ALA 16 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3i1s s ALA 16 Cb 0.00 0.20 0.16 0.00 0.00 0.00 0.00 23.12 23.48 3i1s s ALA 16 CO 0.00 -0.25 0.43 0.54 0.00 0.00 0.00 175.76 176.47 3i1s s VAL 17 N -2.85 -0.68 0.48 0.00 0.11 -1.26 -0.58 120.40 115.61 3i1s s VAL 17 Ca -0.02 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 3i1s s VAL 17 Cb 0.00 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3i1s s VAL 17 CO -0.06 -0.22 0.35 -0.46 -3.33 0.00 0.00 175.10 171.38 3i1s n ASN 18 N 5.37 2.58 -4.32 3.54 6.94 -0.99 -4.93 115.26 123.44 3i1s n ASN 18 Ca 0.00 -2.68 -0.32 0.00 -0.02 0.00 0.00 54.58 51.56 3i1s n ASN 18 Cb 0.50 -0.02 -0.15 0.00 -2.36 0.00 0.00 39.78 37.75 3i1s n ASN 18 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3i1s s ARG 19 N -3.97 3.00 0.23 -3.83 3.52 -1.26 -1.63 118.95 115.00 3i1s s ARG 19 Ca 0.26 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 55.18 3i1s s ARG 19 Cb -0.02 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 3i1s s ARG 19 CO 0.17 0.29 -0.13 0.14 -0.81 0.00 0.00 175.30 174.96 3i1s s VAL 20 N 0.10 2.93 0.40 7.11 -7.23 -1.16 -5.00 120.40 117.54 3i1s s VAL 20 Ca -0.09 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.20 3i1s s VAL 20 Cb -0.15 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 3i1s s VAL 20 CO 0.05 -0.24 0.16 -0.55 -0.31 0.00 0.00 175.10 174.22 3i1s s SER 21 N -3.15 4.45 -0.30 4.85 0.15 -1.26 -4.31 113.70 114.13 3i1s s SER 21 Ca 0.27 -1.02 -0.06 0.00 0.70 0.00 0.00 55.95 55.84 3i1s s SER 21 Cb -0.07 -0.52 0.18 0.00 -1.71 0.00 0.00 66.02 63.90 3i1s s SER 21 CO 0.15 -0.48 0.79 -0.75 1.20 0.00 0.00 173.24 174.15 3i1s s LYS 22 N -3.88 0.41 0.46 5.44 2.20 -1.25 -4.97 119.74 118.14 3i1s s LYS 22 Ca 0.40 0.71 -0.13 0.00 -0.36 0.00 0.00 55.97 56.60 3i1s s LYS 22 Cb 0.02 0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 36.67 3i1s s LYS 22 CO 0.22 -0.46 0.87 0.99 -0.36 0.00 0.00 175.35 176.61 3i1s s THR 23 N 2.90 4.68 0.00 3.43 2.01 -1.26 -1.58 115.64 125.83 3i1s s THR 23 Ca 0.12 0.86 0.00 0.00 0.31 0.00 0.00 61.69 62.98 3i1s s THR 23 Cb -0.13 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3i1s s THR 23 CO -0.17 -0.62 0.00 1.33 -0.69 0.00 0.00 174.62 174.47 3i1s n VAL 24 N -1.48 0.00 0.62 3.82 0.24 -1.03 -4.93 118.33 115.58 3i1s n VAL 24 Ca 0.04 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.47 3i1s n VAL 24 Cb 0.54 0.00 0.34 0.00 -1.47 0.00 0.00 33.84 33.25 3i1s n VAL 24 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3i1s n LYS 25 N 0.00 0.27 0.00 7.34 2.85 -1.26 -3.87 118.16 123.49 3i1s n LYS 25 Ca 0.00 0.17 -0.22 0.00 -1.05 0.00 0.00 58.31 57.22 3i1s n LYS 25 Cb 0.00 -1.76 -0.14 0.00 -0.65 0.00 0.00 35.03 32.48 3i1s n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i1s n GLY 26 N 1.32 -0.58 0.00 2.58 0.00 -1.26 -5.09 105.19 102.16 3i1s n GLY 26 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i1s n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1s n GLY 27 N 1.95 -1.26 3.45 -0.02 0.00 -1.25 -5.13 105.19 102.93 3i1s n GLY 27 Ca -0.32 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 3i1s n GLY 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1s n ARG 28 N 0.00 -0.21 -4.49 1.61 0.63 -1.26 -2.45 116.66 110.48 3i1s n ARG 28 Ca 0.00 -0.01 -0.24 0.00 -0.92 0.00 0.00 57.85 56.67 3i1s n ARG 28 Cb 0.00 -1.91 -0.10 0.00 0.45 0.00 0.00 32.46 30.89 3i1s n ARG 28 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3i1s s ILE 29 N -2.34 2.27 0.00 5.15 2.07 -0.61 -4.85 121.20 122.89 3i1s s ILE 29 Ca 0.59 -2.29 0.00 0.00 -1.41 0.00 0.00 60.65 57.55 3i1s s ILE 29 Cb -0.23 -2.45 0.00 0.00 0.13 0.00 0.00 42.46 39.90 3i1s s ILE 29 CO 0.65 -0.31 0.00 0.49 -1.91 0.00 0.00 174.94 173.86 3i1s n PHE 30 N -0.68 0.00 -0.70 3.50 3.01 -1.26 -3.87 117.46 117.46 3i1s n PHE 30 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 3i1s n PHE 30 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 3i1s n PHE 30 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i1s n SER 31 N 0.00 -4.49 -4.32 4.37 3.41 -1.26 -4.30 113.62 107.03 3i1s n SER 31 Ca 0.00 0.53 -0.27 0.00 -0.26 0.00 0.00 58.87 58.87 3i1s n SER 31 Cb 0.00 -1.44 -0.08 0.00 -0.26 0.00 0.00 64.21 62.42 3i1s n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i1s s PHE 32 N -2.19 1.84 -0.05 7.33 0.08 -0.28 -2.98 117.98 121.72 3i1s s PHE 32 Ca 0.00 -1.16 -0.22 0.00 0.12 0.00 0.00 56.93 55.67 3i1s s PHE 32 Cb 0.00 -1.30 0.05 0.00 -0.57 0.00 0.00 43.02 41.19 3i1s s PHE 32 CO 0.00 -0.12 0.49 -0.08 -0.10 0.00 0.00 175.22 175.41 3i1s s THR 33 N -3.11 0.03 0.35 0.64 -1.32 -0.65 -1.98 115.64 109.59 3i1s s THR 33 Ca 0.20 -0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.52 3i1s s THR 33 Cb 0.03 -0.79 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 3i1s s THR 33 CO 0.12 -0.12 0.23 0.00 -2.21 0.00 0.00 174.62 172.64 3i1s s ALA 34 N -1.06 2.14 -0.18 11.08 0.00 0.31 -2.35 121.76 131.71 3i1s s ALA 34 Ca -0.11 -1.81 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 3i1s s ALA 34 Cb -0.03 1.27 0.06 0.00 0.00 0.00 0.00 23.12 24.43 3i1s s ALA 34 CO 0.06 -0.57 0.44 -1.17 0.00 0.00 0.00 175.76 174.53 3i1s s LEU 35 N -3.43 -0.22 0.20 0.00 1.98 0.25 -2.30 118.68 115.16 3i1s s LEU 35 Ca 0.36 0.97 -0.03 0.00 -2.89 0.00 0.00 54.13 52.54 3i1s s LEU 35 Cb 0.03 1.47 -0.04 0.00 0.66 0.00 0.00 46.19 48.31 3i1s s LEU 35 CO 0.23 -0.20 0.17 0.42 -1.89 0.00 0.00 176.35 175.08 3i1s s THR 36 N 1.48 0.01 -0.00 3.68 -4.23 -0.93 -0.43 115.64 115.22 3i1s s THR 36 Ca -0.09 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3i1s s THR 36 Cb -0.08 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3i1s s THR 36 CO -0.14 -0.03 0.01 -0.69 -0.54 0.00 0.00 174.62 173.23 3i1s s VAL 37 N -4.13 -0.00 0.00 2.29 1.01 0.48 -2.08 120.40 117.97 3i1s s VAL 37 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3i1s s VAL 37 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 36.38 36.42 3i1s s VAL 37 CO 0.11 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.73 3i1s n VAL 38 N 3.11 0.00 0.00 2.92 0.31 0.57 -2.04 118.33 123.20 3i1s n VAL 38 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3i1s n VAL 38 Cb 0.60 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 3i1s n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1s n GLY 39 N 3.97 -0.14 0.00 2.92 0.00 -1.24 -4.32 105.19 106.37 3i1s n GLY 39 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3i1s n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1s n ASP 40 N -0.72 0.00 0.00 1.61 5.75 0.32 -4.22 116.55 119.30 3i1s n ASP 40 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3i1s n ASP 40 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3i1s n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1s n GLY 41 N -0.01 2.70 0.26 6.12 0.00 -0.91 -4.77 105.19 108.58 3i1s n GLY 41 Ca 0.00 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.41 3i1s n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i1s h ASN 42 N 0.00 0.00 0.00 1.61 2.35 -1.89 -3.27 115.58 114.38 3i1s h ASN 42 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i1s h ASN 42 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i1s h ASN 42 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 3i1s n GLY 43 N -1.23 0.21 3.52 2.83 0.00 -0.63 -4.81 105.19 105.09 3i1s n GLY 43 Ca -0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 3i1s n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1s s ARG 44 N 0.00 0.57 0.18 1.61 0.52 -1.23 0.33 118.95 120.93 3i1s s ARG 44 Ca 0.00 1.17 0.02 0.00 -0.52 0.00 0.00 55.73 56.40 3i1s s ARG 44 Cb 0.00 0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 3i1s s ARG 44 CO 0.00 -0.17 -0.01 0.54 0.02 0.00 0.00 175.30 175.68 3i1s s VAL 45 N 1.99 0.77 -0.29 3.52 0.11 -1.02 -0.52 120.40 124.96 3i1s s VAL 45 Ca -0.08 -1.99 -0.15 0.00 -2.93 0.00 0.00 61.98 56.83 3i1s s VAL 45 Cb -0.08 -2.13 0.13 0.00 -1.53 0.00 0.00 36.38 32.77 3i1s s VAL 45 CO -0.17 -0.48 0.86 -0.83 -3.33 0.00 0.00 175.10 171.14 3i1s s GLY 46 N -3.19 -0.31 0.53 6.54 0.00 -1.26 0.12 107.32 109.75 3i1s s GLY 46 Ca 0.24 2.82 0.06 0.00 0.00 0.00 0.00 44.72 47.84 3i1s s GLY 46 CO 0.04 2.76 0.73 1.97 0.00 0.00 0.00 173.10 178.60 3i1s n PHE 47 N 4.40 -2.55 -3.64 1.90 -1.74 -1.26 -0.32 117.46 114.25 3i1s n PHE 47 Ca -0.16 -1.74 -0.08 0.00 -0.56 0.00 0.00 57.45 54.91 3i1s n PHE 47 Cb 0.56 -0.51 -0.07 0.00 1.52 0.00 0.00 39.48 40.97 3i1s n PHE 47 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3i1s s GLY 48 N -4.38 -0.42 -0.31 4.97 0.00 -0.88 -4.28 107.32 102.01 3i1s s GLY 48 Ca 0.54 2.50 -0.11 0.00 0.00 0.00 0.00 44.72 47.64 3i1s s GLY 48 CO 0.34 2.20 0.19 -0.47 0.00 0.00 0.00 173.10 175.36 3i1s s TYR 49 N 1.07 3.20 -0.19 1.90 5.04 -1.26 -2.18 117.35 124.93 3i1s s TYR 49 Ca -0.05 -0.30 -0.00 0.00 -2.44 0.00 0.00 57.07 54.27 3i1s s TYR 49 Cb -0.05 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 39.87 3i1s s TYR 49 CO -0.12 -0.36 -0.15 0.20 -1.34 0.00 0.00 175.55 173.78 3i1s s GLY 50 N 1.68 1.46 0.05 8.97 0.00 -0.97 -4.63 107.32 113.88 3i1s s GLY 50 Ca 0.06 -1.19 0.09 0.00 0.00 0.00 0.00 44.72 43.68 3i1s s GLY 50 CO 0.09 0.29 -0.26 1.25 0.00 0.00 0.00 173.10 174.47 3i1s s LYS 51 N 1.29 1.75 -0.09 2.90 2.20 -1.26 0.11 119.74 126.65 3i1s s LYS 51 Ca 0.04 -1.14 -0.32 0.00 -0.36 0.00 0.00 55.97 54.20 3i1s s LYS 51 Cb -0.14 -1.97 0.12 0.00 -1.51 0.00 0.00 37.83 34.34 3i1s s LYS 51 CO -0.09 0.50 1.40 0.00 -0.36 0.00 0.00 175.35 176.80 3i1s s ALA 52 N -0.83 -2.62 -0.57 3.13 0.00 -0.84 -4.69 121.76 115.34 3i1s s ALA 52 Ca 0.12 0.57 0.23 0.00 0.00 0.00 0.00 51.96 52.88 3i1s s ALA 52 Cb -0.10 0.57 0.93 0.00 0.00 0.00 0.00 23.12 24.53 3i1s s ALA 52 CO 0.02 -1.12 1.71 0.54 0.00 0.00 0.00 175.76 176.92 3i1s n ARG 53 N -0.72 0.19 -4.39 0.00 1.74 -1.26 -1.13 116.66 111.09 3i1s n ARG 53 Ca -0.02 0.37 -0.19 0.00 -0.77 0.00 0.00 57.85 57.24 3i1s n ARG 53 Cb 0.61 -1.83 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 3i1s n ARG 53 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i1s s GLU 54 N -3.25 0.77 0.37 5.56 -1.05 -1.26 -4.61 118.70 115.23 3i1s s GLU 54 Ca 0.06 -0.33 0.13 0.00 -0.15 0.00 0.00 54.97 54.67 3i1s s GLU 54 Cb 0.10 -0.74 0.95 0.00 -0.44 0.00 0.00 34.13 33.99 3i1s s GLU 54 CO 0.42 0.20 1.82 0.28 0.95 0.00 0.00 175.26 178.92 3i1s h VAL 55 N 4.94 0.68 0.00 1.83 2.07 -1.96 -2.47 116.25 121.33 3i1s h VAL 55 Ca -0.31 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3i1s h VAL 55 Cb 1.18 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3i1s h VAL 55 CO 0.50 0.10 0.00 -0.81 0.02 0.00 0.00 177.57 177.38 3i1s n PRO 56 N -4.62 0.00 -0.15 1.57 -0.04 -1.26 -1.63 135.00 128.87 3i1s n PRO 56 Ca 0.21 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.83 3i1s n PRO 56 Cb 0.67 -0.37 0.28 0.00 -0.04 0.00 0.00 33.50 34.04 3i1s n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1s n ALA 57 N -3.00 0.49 -0.29 0.55 0.00 -1.22 0.21 120.51 117.25 3i1s n ALA 57 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i1s n ALA 57 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3i1s n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s n ALA 58 N -2.65 -0.24 -0.28 0.00 0.00 -0.93 0.13 120.51 116.54 3i1s n ALA 58 Ca 0.18 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.87 3i1s n ALA 58 Cb 0.62 0.14 0.58 0.00 0.00 0.00 0.00 19.45 20.79 3i1s n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3i1s h ILE 59 N 0.00 0.55 0.64 0.00 2.10 0.33 -0.63 117.51 120.51 3i1s h ILE 59 Ca 0.00 -0.10 -0.03 0.00 1.08 0.00 0.00 64.86 65.81 3i1s h ILE 59 Cb 0.00 0.25 0.01 0.00 -1.09 0.00 0.00 36.82 35.98 3i1s h ILE 59 CO 0.00 0.05 -0.31 -0.61 -1.08 0.00 0.00 178.15 176.20 3i1s h GLN 60 N 0.28 -0.83 -0.89 2.19 5.75 -0.27 -2.14 115.11 119.20 3i1s h GLN 60 Ca 0.53 0.06 0.18 0.00 -0.15 0.00 0.00 58.65 59.27 3i1s h GLN 60 Cb 1.56 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 30.23 3i1s h GLN 60 CO -0.18 -0.55 0.58 0.87 -2.65 0.00 0.00 178.83 176.90 3i1s h LYS 61 N -0.87 0.49 -0.35 1.69 1.57 0.25 0.42 116.57 119.78 3i1s h LYS 61 Ca -0.09 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3i1s h LYS 61 Cb 0.67 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 3i1s h LYS 61 CO 0.15 0.33 0.07 0.00 -0.57 0.00 0.00 179.45 179.42 3i1s h ALA 62 N 1.61 0.37 0.52 3.86 0.00 -0.92 -2.43 119.26 122.28 3i1s h ALA 62 Ca 0.46 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 3i1s h ALA 62 Cb 1.00 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i1s h ALA 62 CO -0.20 -0.34 -0.25 0.52 0.00 0.00 0.00 179.25 178.99 3i1s h MET 63 N 0.18 -0.67 -1.13 0.00 2.86 0.31 0.47 114.93 116.95 3i1s h MET 63 Ca 0.17 0.05 0.42 0.00 -2.06 0.00 0.00 59.70 58.27 3i1s h MET 63 Cb 0.19 0.15 -0.15 0.00 0.06 0.00 0.00 31.60 31.86 3i1s h MET 63 CO -0.22 -0.45 0.69 -1.91 1.06 0.00 0.00 176.91 176.08 3i1s n GLU 64 N -4.16 -0.04 -0.02 1.72 0.00 0.67 0.10 120.64 118.90 3i1s n GLU 64 Ca -0.09 1.21 -0.21 0.00 0.00 0.00 0.00 57.16 58.07 3i1s n GLU 64 Cb 0.27 -2.30 -0.13 0.00 0.00 0.00 0.00 31.44 29.29 3i1s n GLU 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3i1s n LYS 65 N -4.79 0.73 -0.32 5.31 3.00 -0.93 -4.14 118.16 117.02 3i1s n LYS 65 Ca 0.37 0.27 0.21 0.00 -0.00 0.00 0.00 58.31 59.15 3i1s n LYS 65 Cb 1.35 -1.68 0.41 0.00 0.00 0.00 0.00 35.03 35.11 3i1s n LYS 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1s h ALA 66 N 0.00 1.68 -0.13 3.14 0.00 0.57 0.61 119.26 125.13 3i1s h ALA 66 Ca -0.44 0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3i1s h ALA 66 Cb 1.96 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.99 3i1s h ALA 66 CO 0.04 -0.61 -0.42 -0.09 0.00 0.00 0.00 179.25 178.16 3i1s h ARG 67 N 0.18 -0.41 0.00 0.00 9.65 -0.65 -3.43 114.38 119.73 3i1s h ARG 67 Ca 0.68 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.59 3i1s h ARG 67 Cb 1.55 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 30.22 3i1s h ARG 67 CO -0.70 -0.27 0.00 0.54 2.80 0.00 0.00 179.97 182.34 3i1s n ARG 68 N -4.75 -0.38 -3.70 0.20 1.74 0.21 -4.19 116.66 105.78 3i1s n ARG 68 Ca -0.04 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 3i1s n ARG 68 Cb 0.29 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.69 3i1s n ARG 68 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i1s n ASN 69 N -1.58 -2.35 -4.76 0.55 6.94 -1.26 -4.87 115.26 107.92 3i1s n ASN 69 Ca 0.00 -0.58 -0.40 0.00 -0.02 0.00 0.00 54.58 53.59 3i1s n ASN 69 Cb 0.00 -2.02 0.02 0.00 -2.36 0.00 0.00 39.78 35.42 3i1s n ASN 69 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3i1s s MET 70 N -6.35 3.61 -0.28 -3.83 -1.94 -1.26 -4.57 119.30 104.69 3i1s s MET 70 Ca 0.51 2.36 -0.02 0.00 -1.71 0.00 0.00 55.69 56.83 3i1s s MET 70 Cb -0.29 -2.59 0.04 0.00 2.01 0.00 0.00 34.83 33.99 3i1s s MET 70 CO 0.63 -0.85 -0.02 -1.50 -0.01 0.00 0.00 175.02 173.27 3i1s s ILE 71 N -1.23 3.04 -0.00 2.53 1.10 0.32 -4.94 121.20 122.02 3i1s s ILE 71 Ca 0.62 -1.17 -0.32 0.00 -0.51 0.00 0.00 60.65 59.27 3i1s s ILE 71 Cb -0.43 -2.65 -0.11 0.00 0.15 0.00 0.00 42.46 39.43 3i1s s ILE 71 CO 0.54 0.04 1.90 -3.20 -2.11 0.00 0.00 174.94 172.10 3i1s n ASN 72 N 4.67 3.77 -3.98 4.50 2.85 -1.26 -2.43 115.26 123.38 3i1s n ASN 72 Ca -0.15 0.95 -0.31 0.00 -0.11 0.00 0.00 54.58 54.97 3i1s n ASN 72 Cb 0.45 -1.45 -0.15 0.00 1.24 0.00 0.00 39.78 39.87 3i1s n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3i1s s VAL 73 N 3.90 1.75 0.72 3.44 1.01 0.15 -4.97 120.40 126.40 3i1s s VAL 73 Ca 0.89 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3i1s s VAL 73 Cb -0.57 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 3i1s s VAL 73 CO 0.46 -0.14 0.31 0.00 0.00 0.00 0.00 175.10 175.73 3i1s n ALA 74 N 4.57 -2.12 0.00 5.51 0.00 -1.26 -4.51 120.51 122.70 3i1s n ALA 74 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3i1s n ALA 74 Cb 0.43 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3i1s n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1s n LEU 75 N 0.44 0.00 -4.27 0.00 -0.00 -1.26 -4.98 117.00 106.94 3i1s n LEU 75 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.91 3i1s n LEU 75 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.81 3i1s n LEU 75 CO 0.51 0.00 -0.46 0.20 -0.00 0.00 0.00 177.39 177.65 3i1s s ASN 76 N 0.00 2.17 -1.80 1.96 0.02 -1.24 -4.82 114.94 111.23 3i1s s ASN 76 Ca 0.00 -0.84 0.00 0.00 -1.02 0.00 0.00 52.86 51.00 3i1s s ASN 76 Cb 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 41.25 41.18 3i1s s ASN 76 CO 0.00 -0.13 0.00 -3.20 0.02 0.00 0.00 177.10 173.79 3i1s n ASN 77 N 0.42 -5.73 -4.32 -1.22 2.85 -1.26 -0.84 115.26 105.16 3i1s n ASN 77 Ca -0.14 0.06 -0.38 0.00 -0.11 0.00 0.00 54.58 54.01 3i1s n ASN 77 Cb 0.57 -4.79 -0.04 0.00 1.24 0.00 0.00 39.78 36.76 3i1s n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i1s n GLY 78 N -0.93 -0.43 3.26 8.20 0.00 -1.26 -4.91 105.19 109.11 3i1s n GLY 78 Ca -0.24 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3i1s n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1s s THR 79 N -3.29 0.04 -0.09 2.61 -1.32 -0.02 -4.78 115.64 108.79 3i1s s THR 79 Ca 0.76 -1.80 0.01 0.00 -1.21 0.00 0.00 61.69 59.44 3i1s s THR 79 Cb -0.42 -2.23 0.08 0.00 -1.51 0.00 0.00 72.50 68.42 3i1s s THR 79 CO 0.96 -0.18 1.10 -0.11 -2.21 0.00 0.00 174.62 174.17 3i1s n LEU 80 N -0.22 3.39 0.00 9.08 -0.00 -1.26 -3.62 117.00 124.36 3i1s n LEU 80 Ca -0.02 -1.72 0.00 0.00 -0.00 0.00 0.00 56.01 54.27 3i1s n LEU 80 Cb 0.64 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3i1s n LEU 80 CO 0.30 0.56 0.00 1.67 -0.00 0.00 0.00 177.39 179.91 3i1s n GLN 81 N 0.29 0.00 -4.37 1.96 -0.06 -1.26 -4.47 117.38 109.47 3i1s n GLN 81 Ca 0.07 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.88 3i1s n GLN 81 Cb 0.63 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.71 3i1s n GLN 81 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 3i1s s HIS 82 N 0.00 1.74 0.13 3.69 -3.43 -1.26 -4.85 115.29 111.31 3i1s s HIS 82 Ca 0.00 -0.72 -0.31 0.00 -0.80 0.00 0.00 55.06 53.23 3i1s s HIS 82 Cb 0.00 -0.94 -0.09 0.00 -1.43 0.00 0.00 32.58 30.12 3i1s s HIS 82 CO 0.00 0.21 1.45 -1.25 -2.00 0.00 0.00 174.74 173.15 3i1s s PRO 83 N -3.74 4.28 -0.03 -0.38 0.04 -1.26 -4.52 135.00 129.39 3i1s s PRO 83 Ca 0.26 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 3i1s s PRO 83 Cb 0.03 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.35 3i1s s PRO 83 CO 0.09 -0.50 0.09 0.54 0.04 0.00 0.00 177.00 177.26 3i1s s VAL 84 N 1.16 0.01 -0.05 -0.36 0.11 -0.46 -5.00 120.40 115.82 3i1s s VAL 84 Ca 0.66 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.65 3i1s s VAL 84 Cb -0.39 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 3i1s s VAL 84 CO 0.30 -0.04 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.23 3i1s s LYS 85 N -0.09 2.73 0.09 1.54 2.20 -1.26 -1.76 119.74 123.19 3i1s s LYS 85 Ca -0.01 -0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 54.98 3i1s s LYS 85 Cb -0.01 -2.60 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 3i1s s LYS 85 CO 0.00 0.65 0.07 0.20 -0.36 0.00 0.00 175.35 175.91 3i1s s GLY 86 N -1.02 0.49 0.17 5.54 0.00 0.01 -4.86 107.32 107.64 3i1s s GLY 86 Ca 0.14 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.70 3i1s s GLY 86 CO 0.04 -1.16 0.23 -1.34 0.00 0.00 0.00 173.10 170.86 3i1s s VAL 87 N -3.94 0.06 -0.30 1.40 -7.23 -1.25 0.34 120.40 109.48 3i1s s VAL 87 Ca 0.11 -1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 3i1s s VAL 87 Cb 0.07 -2.01 0.19 0.00 0.56 0.00 0.00 36.38 35.18 3i1s s VAL 87 CO -0.07 -0.27 0.85 -2.28 -0.31 0.00 0.00 175.10 173.03 3i1s s HIS 88 N -4.02 -1.03 0.00 2.82 2.46 -1.06 -4.75 115.29 109.70 3i1s s HIS 88 Ca 0.22 0.86 0.00 0.00 0.47 0.00 0.00 55.06 56.61 3i1s s HIS 88 Cb 0.04 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 3i1s s HIS 88 CO 0.03 -0.58 0.00 0.25 -2.47 0.00 0.00 174.74 171.97 3i1s n THR 89 N 5.37 0.00 0.00 0.89 -2.24 -1.26 -3.18 114.28 113.85 3i1s n THR 89 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3i1s n THR 89 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3i1s n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1s n GLY 90 N 0.00 -2.68 3.78 3.38 0.00 -1.26 -4.88 105.19 103.53 3i1s n GLY 90 Ca 0.00 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3i1s n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1s s SER 91 N -2.09 5.30 -0.16 1.61 0.15 -1.19 -4.11 113.70 113.21 3i1s s SER 91 Ca 0.00 1.94 -0.05 0.00 0.70 0.00 0.00 55.95 58.55 3i1s s SER 91 Cb 0.00 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.83 3i1s s SER 91 CO 0.00 -1.50 0.11 -0.13 1.20 0.00 0.00 173.24 172.92 3i1s s ARG 92 N -4.10 0.07 0.25 5.44 0.52 -0.78 -2.57 118.95 117.77 3i1s s ARG 92 Ca 0.66 0.02 0.10 0.00 -0.52 0.00 0.00 55.73 55.98 3i1s s ARG 92 Cb -0.19 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 3i1s s ARG 92 CO 0.40 -0.63 -0.07 0.14 0.02 0.00 0.00 175.30 175.17 3i1s s VAL 93 N 2.17 3.18 -0.17 3.52 -7.23 0.15 0.14 120.40 122.17 3i1s s VAL 93 Ca 0.03 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3i1s s VAL 93 Cb -0.16 -2.67 0.08 0.00 0.56 0.00 0.00 36.38 34.20 3i1s s VAL 93 CO -0.09 -0.31 0.21 0.12 -0.31 0.00 0.00 175.10 174.72 3i1s s PHE 94 N -2.21 -0.27 0.42 2.82 5.36 -0.34 -0.81 117.98 122.94 3i1s s PHE 94 Ca 0.29 0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.73 3i1s s PHE 94 Cb -0.07 -0.30 -0.06 0.00 -0.34 0.00 0.00 43.02 42.25 3i1s s PHE 94 CO 0.18 -0.51 0.11 0.00 -1.46 0.00 0.00 175.22 173.55 3i1s s MET 95 N 2.33 2.12 -0.25 10.12 0.00 -0.72 -1.06 119.30 131.84 3i1s s MET 95 Ca 0.05 -1.96 -0.11 0.00 0.00 0.00 0.00 55.69 53.67 3i1s s MET 95 Cb -0.15 -1.84 0.10 0.00 0.00 0.00 0.00 34.83 32.94 3i1s s MET 95 CO -0.10 -0.11 0.56 -1.14 0.00 0.00 0.00 175.02 174.23 3i1s s GLN 96 N -3.84 0.52 -0.52 3.16 -0.44 -0.80 -1.35 119.66 116.39 3i1s s GLN 96 Ca 0.38 1.18 -0.30 0.00 -2.50 0.00 0.00 55.36 54.12 3i1s s GLN 96 Cb 0.06 0.40 -0.11 0.00 -1.64 0.00 0.00 33.01 31.72 3i1s s GLN 96 CO 0.20 -0.19 2.39 -0.35 0.50 0.00 0.00 175.29 177.84 3i1s n PRO 97 N 4.94 0.94 -1.18 1.67 -0.04 -1.26 -0.86 135.00 139.21 3i1s n PRO 97 Ca -0.15 0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 3i1s n PRO 97 Cb 0.53 -2.78 0.13 0.00 -0.04 0.00 0.00 33.50 31.34 3i1s n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1s s ALA 98 N 9.88 1.60 -0.50 0.55 0.00 -1.13 -4.88 121.76 127.28 3i1s s ALA 98 Ca 1.09 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 3i1s s ALA 98 Cb -0.59 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 3i1s s ALA 98 CO 0.38 -2.31 1.69 0.45 0.00 0.00 0.00 175.76 175.96 3i1s s SER 99 N -3.37 5.76 -0.07 0.00 0.15 -1.26 -4.77 113.70 110.15 3i1s s SER 99 Ca 0.63 0.65 -0.12 0.00 0.70 0.00 0.00 55.95 57.81 3i1s s SER 99 Cb -0.18 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.54 3i1s s SER 99 CO 0.57 -1.93 0.37 -0.62 1.20 0.00 0.00 173.24 172.84 3i1s n GLU 100 N 8.73 0.00 -0.18 5.44 4.71 -1.26 -1.76 120.64 136.32 3i1s n GLU 100 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.34 3i1s n GLU 100 Cb 0.49 -0.43 0.00 0.00 -1.01 0.00 0.00 31.44 30.50 3i1s n GLU 100 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i1s n GLY 101 N 0.76 0.63 0.00 0.62 0.00 -1.26 -4.88 105.19 101.06 3i1s n GLY 101 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i1s n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1s n THR 102 N -2.00 0.00 0.00 2.61 -2.24 -0.72 -5.09 114.28 106.83 3i1s n THR 102 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3i1s n THR 102 Cb 0.00 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3i1s n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1s n GLY 103 N 0.78 -1.00 2.82 3.38 0.00 -1.25 -4.84 105.19 105.08 3i1s n GLY 103 Ca 0.00 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 3i1s n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1s n ILE 104 N -0.02 -5.09 -3.50 -0.61 0.13 -0.68 -4.76 119.36 104.84 3i1s n ILE 104 Ca 0.00 -0.52 -0.28 0.00 -1.10 0.00 0.00 62.75 60.85 3i1s n ILE 104 Cb 0.00 -4.66 -0.13 0.00 -0.84 0.00 0.00 39.64 34.01 3i1s n ILE 104 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3i1s s ILE 105 N -3.27 -0.02 0.00 9.51 1.01 -1.14 -5.00 121.20 122.28 3i1s s ILE 105 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.62 3i1s s ILE 105 Cb -0.01 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.44 3i1s s ILE 105 CO 0.55 -0.81 0.00 0.00 0.00 0.00 0.00 174.94 174.68 3i1s n ALA 106 N 4.78 0.00 -1.92 9.38 0.00 -1.26 -3.31 120.51 128.18 3i1s n ALA 106 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 3i1s n ALA 106 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.94 3i1s n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1s s GLY 107 N -0.19 1.65 -1.38 0.00 0.00 -1.26 -4.94 107.32 101.20 3i1s s GLY 107 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.78 3i1s s GLY 107 CO 0.00 -0.36 2.50 0.61 0.00 0.00 0.00 173.10 175.85 3i1s n GLY 108 N -3.12 3.95 0.76 0.20 0.00 -1.26 -3.22 105.19 102.51 3i1s n GLY 108 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3i1s n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1s n ALA 109 N 4.86 0.00 -0.36 4.61 0.00 -1.26 -4.89 120.51 123.46 3i1s n ALA 109 Ca 0.62 0.00 0.34 0.00 0.00 0.00 0.00 53.44 54.40 3i1s n ALA 109 Cb 0.28 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.33 3i1s n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1s n MET 110 N -1.57 -0.05 0.00 0.00 2.00 -1.26 -1.84 117.12 114.41 3i1s n MET 110 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 57.70 58.99 3i1s n MET 110 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 30.82 3i1s n MET 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3i1s n ARG 111 N -4.99 0.00 -0.32 0.03 3.00 -1.20 0.37 116.66 113.55 3i1s n ARG 111 Ca 0.38 0.25 0.22 0.00 -0.00 0.00 0.00 57.85 58.69 3i1s n ARG 111 Cb 1.35 -0.58 0.41 0.00 0.00 0.00 0.00 32.46 33.64 3i1s n ARG 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1s n ALA 112 N -1.16 0.72 1.06 5.13 0.00 -0.77 0.72 120.51 126.20 3i1s n ALA 112 Ca 0.00 1.02 0.09 0.00 0.00 0.00 0.00 53.44 54.55 3i1s n ALA 112 Cb 0.00 -0.86 0.52 0.00 0.00 0.00 0.00 19.45 19.11 3i1s n ALA 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1s n VAL 113 N -5.33 0.18 -0.10 0.00 0.31 0.16 -3.12 118.33 110.42 3i1s n VAL 113 Ca 0.29 0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.48 3i1s n VAL 113 Cb 0.97 -0.75 -0.08 0.00 -0.91 0.00 0.00 33.84 33.07 3i1s n VAL 113 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i1s n LEU 114 N -1.11 2.17 -2.47 7.52 4.77 0.22 -4.50 117.00 123.60 3i1s n LEU 114 Ca 0.12 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 3i1s n LEU 114 Cb 0.10 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 3i1s n LEU 114 CO 0.12 0.62 2.11 -1.84 -1.33 0.00 0.00 177.39 177.06 3i1s n GLU 115 N -3.56 2.37 0.17 3.23 0.28 -1.18 -1.30 120.64 120.64 3i1s n GLU 115 Ca -0.39 -1.31 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 3i1s n GLU 115 Cb 0.83 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.48 3i1s n GLU 115 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i1s n VAL 116 N 2.94 0.00 1.32 3.84 0.24 -1.26 -4.78 118.33 120.63 3i1s n VAL 116 Ca 0.51 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.86 3i1s n VAL 116 Cb 0.62 -0.38 0.34 0.00 -1.47 0.00 0.00 33.84 32.95 3i1s n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1s n ALA 117 N -3.47 2.23 -0.84 2.33 0.00 -1.25 -0.90 120.51 118.61 3i1s n ALA 117 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i1s n ALA 117 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3i1s n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1s n GLY 118 N 0.25 0.25 2.84 0.00 0.00 -1.23 -1.60 105.19 105.70 3i1s n GLY 118 Ca 0.09 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 3i1s n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1s s VAL 119 N -2.56 -0.29 -1.51 1.61 -7.23 -0.42 -4.78 120.40 105.21 3i1s s VAL 119 Ca 0.00 0.24 0.13 0.00 -1.81 0.00 0.00 61.98 60.54 3i1s s VAL 119 Cb 0.00 -0.40 0.09 0.00 0.56 0.00 0.00 36.38 36.63 3i1s s VAL 119 CO 0.00 0.07 0.87 1.41 -0.31 0.00 0.00 175.10 177.14 3i1s n HIS 120 N 5.33 0.00 -3.37 2.82 -0.00 -1.26 -3.53 115.22 115.20 3i1s n HIS 120 Ca -0.05 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.21 3i1s n HIS 120 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 3i1s n HIS 120 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3i1s s ASN 121 N -1.12 6.66 -0.02 0.41 4.22 -1.26 -1.68 114.94 122.14 3i1s s ASN 121 Ca 0.14 -2.78 -0.02 0.00 -2.14 0.00 0.00 52.86 48.06 3i1s s ASN 121 Cb 0.10 -2.17 0.00 0.00 1.28 0.00 0.00 41.25 40.46 3i1s s ASN 121 CO 0.18 -0.53 0.05 -0.69 -2.04 0.00 0.00 177.10 174.07 3i1s s VAL 122 N 0.02 0.01 -0.34 3.54 1.01 -1.26 -2.85 120.40 120.53 3i1s s VAL 122 Ca 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3i1s s VAL 122 Cb -0.11 -0.12 0.14 0.00 0.00 0.00 0.00 36.38 36.30 3i1s s VAL 122 CO -0.08 -0.06 0.31 -0.76 0.00 0.00 0.00 175.10 174.51 3i1s s LEU 123 N -0.17 0.13 0.30 3.92 1.43 -0.04 -2.62 118.68 121.63 3i1s s LEU 123 Ca -0.02 -1.49 -0.07 0.00 -1.03 0.00 0.00 54.13 51.52 3i1s s LEU 123 Cb -0.02 0.32 0.00 0.00 0.03 0.00 0.00 46.19 46.52 3i1s s LEU 123 CO 0.00 -0.31 0.47 0.00 0.23 0.00 0.00 176.35 176.74 3i1s s ALA 124 N 1.61 0.36 0.02 4.21 0.00 -1.21 -1.90 121.76 124.85 3i1s s ALA 124 Ca 0.15 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 3i1s s ALA 124 Cb -0.16 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.13 3i1s s ALA 124 CO -0.11 -0.81 0.58 0.21 0.00 0.00 0.00 175.76 175.63 3i1s s LYS 125 N -3.42 1.05 -0.04 0.00 2.20 -0.22 -4.50 119.74 114.80 3i1s s LYS 125 Ca 0.27 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3i1s s LYS 125 Cb -0.00 0.49 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 3i1s s LYS 125 CO 0.15 -0.37 -0.01 0.00 -0.36 0.00 0.00 175.35 174.77 3i1s s ALA 126 N -2.01 3.26 0.53 3.13 0.00 -1.26 -1.20 121.76 124.20 3i1s s ALA 126 Ca -0.07 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3i1s s ALA 126 Cb -0.01 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.75 3i1s s ALA 126 CO 0.02 0.62 0.24 0.71 0.00 0.00 0.00 175.76 177.35 3i1s s TYR 127 N -0.99 1.71 0.00 0.00 1.51 0.12 -4.99 117.35 114.71 3i1s s TYR 127 Ca 0.17 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 3i1s s TYR 127 Cb -0.11 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3i1s s TYR 127 CO 0.07 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.73 3i1s n GLY 128 N -1.56 -0.50 2.24 0.71 0.00 -1.26 -1.86 105.19 102.96 3i1s n GLY 128 Ca -0.09 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 3i1s n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1s n SER 129 N 0.15 -2.38 -0.50 1.61 3.41 -1.26 -4.91 113.62 109.74 3i1s n SER 129 Ca 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3i1s n SER 129 Cb 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 3i1s n SER 129 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i1s n THR 130 N -4.37 0.00 -1.51 6.66 -2.24 -1.26 -4.59 114.28 106.96 3i1s n THR 130 Ca 0.10 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.43 3i1s n THR 130 Cb 0.39 0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 3i1s n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i1s n ASN 131 N 0.00 2.36 -0.18 3.42 4.05 -1.26 -4.79 115.26 118.85 3i1s n ASN 131 Ca 0.00 0.16 -0.05 0.00 0.45 0.00 0.00 54.58 55.14 3i1s n ASN 131 Cb 0.66 -1.38 -0.04 0.00 1.23 0.00 0.00 39.78 40.24 3i1s n ASN 131 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3i1s n PRO 132 N 8.54 -0.19 -0.43 1.20 -0.04 -1.26 -0.06 135.00 142.76 3i1s n PRO 132 Ca 0.39 1.05 0.35 0.00 -0.04 0.00 0.00 63.50 65.25 3i1s n PRO 132 Cb 0.34 -1.56 0.63 0.00 -0.04 0.00 0.00 33.50 32.87 3i1s n PRO 132 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3i1s h ILE 133 N 0.00 0.19 0.06 0.52 3.07 -1.98 1.29 117.51 120.67 3i1s h ILE 133 Ca 0.07 -0.05 -0.00 0.00 1.55 0.00 0.00 64.86 66.43 3i1s h ILE 133 Cb 0.18 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 36.78 3i1s h ILE 133 CO -0.41 0.02 -0.03 -1.13 -1.05 0.00 0.00 178.15 175.55 3i1s h ASN 134 N 0.13 -0.07 -0.76 2.16 -0.73 -1.05 -3.37 115.58 111.90 3i1s h ASN 134 Ca 0.78 -0.22 0.07 0.00 1.87 0.00 0.00 56.30 58.80 3i1s h ASN 134 Cb 2.41 0.02 -0.10 0.00 0.27 0.00 0.00 38.32 40.92 3i1s h ASN 134 CO -0.38 0.52 -0.55 0.58 -0.37 0.00 0.00 177.43 177.23 3i1s h VAL 135 N -1.00 0.00 -0.63 2.57 2.07 0.52 -1.40 116.25 118.37 3i1s h VAL 135 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3i1s h VAL 135 Cb 0.29 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 3i1s h VAL 135 CO 0.01 0.00 -0.49 1.62 0.02 0.00 0.00 177.57 178.73 3i1s h VAL 136 N -0.13 0.04 0.00 2.57 3.04 -1.22 0.16 116.25 120.71 3i1s h VAL 136 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 3i1s h VAL 136 Cb 0.45 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 3i1s h VAL 136 CO -0.78 0.00 0.00 -2.11 -1.01 0.00 0.00 177.57 173.67 3i1s n ARG 137 N -5.38 0.34 -0.04 4.17 1.85 -0.54 -1.48 116.66 115.58 3i1s n ARG 137 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.66 3i1s n ARG 137 Cb 0.34 -1.46 -0.13 0.00 -1.05 0.00 0.00 32.46 30.15 3i1s n ARG 137 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1s n ALA 138 N -0.96 1.07 0.05 2.89 0.00 0.55 -3.44 120.51 120.67 3i1s n ALA 138 Ca 0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 3i1s n ALA 138 Cb 0.03 -0.49 0.17 0.00 0.00 0.00 0.00 19.45 19.16 3i1s n ALA 138 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3i1s h THR 139 N 0.05 1.30 -0.55 0.00 1.35 -1.06 -2.39 112.91 111.62 3i1s h THR 139 Ca -0.47 -1.53 -0.08 0.00 -0.55 0.00 0.00 66.41 63.78 3i1s h THR 139 Cb 1.99 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 70.00 3i1s h THR 139 CO 0.03 0.47 0.03 0.40 -0.25 0.00 0.00 175.52 176.20 3i1s h ILE 140 N 0.32 1.25 0.00 6.82 2.04 -1.64 -0.36 117.51 125.94 3i1s h ILE 140 Ca 0.03 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3i1s h ILE 140 Cb 0.84 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3i1s h ILE 140 CO 0.07 0.38 0.00 0.47 0.00 0.00 0.00 178.15 179.06 3i1s n ASP 141 N -4.21 0.00 -0.10 1.72 8.00 -0.94 -2.82 116.55 118.21 3i1s n ASP 141 Ca 0.03 -0.59 -0.24 0.00 0.71 0.00 0.00 54.79 54.70 3i1s n ASP 141 Cb 0.31 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.22 3i1s n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1s n GLY 142 N 0.59 -0.67 0.73 0.44 0.00 -0.42 -4.17 105.19 101.69 3i1s n GLY 142 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i1s n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1s n LEU 143 N -4.21 1.24 0.00 0.99 4.77 -0.28 -1.95 117.00 117.56 3i1s n LEU 143 Ca -0.40 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3i1s n LEU 143 Cb 0.80 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3i1s n LEU 143 CO 0.17 0.24 0.31 -0.62 -1.33 0.00 0.00 177.39 176.15 3i1s n GLU 144 N 0.40 0.74 -0.01 3.23 -0.58 -1.17 -4.73 120.64 118.52 3i1s n GLU 144 Ca 0.00 -0.79 -0.01 0.00 -0.42 0.00 0.00 57.16 55.94 3i1s n GLU 144 Cb 0.24 -0.85 -0.02 0.00 -0.57 0.00 0.00 31.44 30.23 3i1s n GLU 144 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3i1s n ASN 145 N -0.18 4.48 -4.65 1.62 3.02 -0.82 -5.01 115.26 113.71 3i1s n ASN 145 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 3i1s n ASN 145 Cb 0.20 0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3i1s n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1s s MET 146 N -2.07 4.06 0.47 3.52 0.23 -1.24 -4.94 119.30 119.33 3i1s s MET 146 Ca -0.01 2.44 -0.20 0.00 -1.03 0.00 0.00 55.69 56.89 3i1s s MET 146 Cb 0.01 -4.13 -0.09 0.00 -1.53 0.00 0.00 34.83 29.08 3i1s s MET 146 CO 0.09 -1.03 0.98 -0.80 -2.03 0.00 0.00 175.02 172.23 3i1s s ASN 147 N 4.47 6.69 -0.24 -1.18 0.01 -1.26 -4.75 114.94 118.69 3i1s s ASN 147 Ca 0.85 1.73 -0.08 0.00 -0.71 0.00 0.00 52.86 54.65 3i1s s ASN 147 Cb -0.39 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.70 3i1s s ASN 147 CO 0.38 -0.54 0.08 -0.55 -1.51 0.00 0.00 177.10 174.96 3i1s s SER 148 N -2.33 5.32 0.52 -1.22 0.15 -1.26 -4.83 113.70 110.05 3i1s s SER 148 Ca 0.63 -0.12 0.39 0.00 0.70 0.00 0.00 55.95 57.55 3i1s s SER 148 Cb -0.11 -1.95 1.57 0.00 -1.71 0.00 0.00 66.02 63.82 3i1s s SER 148 CO 0.19 0.01 1.68 -0.65 1.20 0.00 0.00 173.24 175.68 3i1s h PRO 149 N 7.88 0.04 0.00 5.44 0.11 -1.97 2.69 132.00 146.20 3i1s h PRO 149 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i1s h PRO 149 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i1s h PRO 149 CO 0.60 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 3i1s n GLU 150 N -4.22 0.05 0.00 1.05 -0.58 -1.26 -0.67 120.64 115.02 3i1s n GLU 150 Ca 0.35 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 3i1s n GLU 150 Cb 1.55 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 3i1s n GLU 150 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3i1s n MET 151 N -1.27 3.64 0.02 3.49 1.56 0.87 -4.62 117.12 120.81 3i1s n MET 151 Ca 0.02 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.39 3i1s n MET 151 Cb 0.03 -0.51 -0.04 0.00 2.15 0.00 0.00 33.22 34.84 3i1s n MET 151 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3i1s h VAL 152 N 0.00 0.39 -0.92 1.12 2.07 0.17 -2.86 116.25 116.22 3i1s h VAL 152 Ca 0.00 -1.12 0.13 0.00 0.82 0.00 0.00 66.70 66.52 3i1s h VAL 152 Cb 0.00 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3i1s h VAL 152 CO 0.00 0.12 0.59 0.00 0.02 0.00 0.00 177.57 178.30 3i1s h ALA 153 N -0.78 1.71 -0.17 1.67 0.00 -1.60 0.88 119.26 120.97 3i1s h ALA 153 Ca -0.02 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i1s h ALA 153 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i1s h ALA 153 CO 0.03 0.07 0.51 0.00 0.00 0.00 0.00 179.25 179.85 3i1s h ALA 154 N 1.58 1.72 -0.96 0.00 0.00 -1.73 -3.29 119.26 116.58 3i1s h ALA 154 Ca 0.45 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.80 3i1s h ALA 154 Cb 0.58 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3i1s h ALA 154 CO -0.21 -0.59 1.49 0.15 0.00 0.00 0.00 179.25 180.08 3i1s s LYS 155 N -4.23 3.44 0.02 0.00 1.02 0.30 -4.86 119.74 115.43 3i1s s LYS 155 Ca -0.03 -1.16 -0.28 0.00 0.02 0.00 0.00 55.97 54.52 3i1s s LYS 155 Cb 0.09 -5.34 0.10 0.00 -0.52 0.00 0.00 37.83 32.16 3i1s s LYS 155 CO 0.32 -2.51 0.84 1.03 -0.92 0.00 0.00 175.35 174.11 3i1s s ARG 156 N 5.25 0.89 0.00 1.68 1.81 -1.24 -5.04 118.95 122.30 3i1s s ARG 156 Ca 0.53 -0.31 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 3i1s s ARG 156 Cb -0.00 0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.91 3i1s s ARG 156 CO -0.04 -0.39 0.00 0.41 -0.68 0.00 0.00 175.30 174.60 3i1s n GLY 157 N -0.23 5.65 0.00 -3.53 0.00 -1.26 -5.20 105.19 100.62 3i1s n GLY 157 Ca -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3i1s n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60