#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxh h GLY 16 N 0.00 0.14 0.94 0.00 0.00 -2.03 -3.33 103.07 98.79 1rxh h GLY 16 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 46.97 1rxh h GLY 16 CO 0.00 0.14 -0.77 -2.22 0.00 0.00 0.00 176.54 173.69 1rxh h ILE 17 N -0.37 1.37 -2.46 2.60 2.04 -1.98 -3.45 117.51 115.27 1rxh h ILE 17 Ca 0.00 -2.15 -0.53 0.00 1.00 0.00 0.00 64.86 63.19 1rxh h ILE 17 Cb 0.63 2.52 0.03 0.00 -0.74 0.00 0.00 36.82 39.27 1rxh h ILE 17 CO 0.02 0.64 1.17 -0.89 0.00 0.00 0.00 178.15 179.08 1rxh s THR 18 N -3.24 2.67 -1.59 -0.27 2.01 -1.25 -4.74 115.64 109.23 1rxh s THR 18 Ca -0.12 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1rxh s THR 18 Cb 0.05 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1rxh s THR 18 CO 0.86 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1rxh n GLY 19 N 4.37 -0.70 2.77 4.40 0.00 -0.45 -4.65 105.19 110.93 1rxh n GLY 19 Ca 0.19 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1rxh n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rxh s THR 20 N -4.00 0.20 0.51 2.61 2.01 -1.26 -2.32 115.64 113.39 1rxh s THR 20 Ca 0.00 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1rxh s THR 20 Cb 0.00 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1rxh s THR 20 CO 0.00 0.19 0.02 0.26 -0.69 0.00 0.00 174.62 174.40 1rxh s TRP 21 N 1.57 1.80 -0.14 4.92 0.52 0.31 -4.62 118.94 123.30 1rxh s TRP 21 Ca -0.02 -1.02 -0.10 0.00 0.02 0.00 0.00 56.10 54.98 1rxh s TRP 21 Cb -0.13 -1.55 0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1rxh s TRP 21 CO -0.03 0.15 0.35 0.71 0.02 0.00 0.00 176.95 178.15 1rxh s TYR 22 N -2.93 -0.46 0.55 -1.98 2.02 0.01 -1.12 117.35 113.45 1rxh s TYR 22 Ca 0.05 1.04 0.09 0.00 -0.37 0.00 0.00 57.07 57.88 1rxh s TYR 22 Cb 0.01 0.17 0.07 0.00 -0.40 0.00 0.00 41.96 41.80 1rxh s TYR 22 CO 0.03 -0.26 0.68 0.54 -1.57 0.00 0.00 175.55 174.97 1rxh s ASN 23 N 0.87 5.04 0.57 2.29 2.20 -1.15 -0.17 114.94 124.58 1rxh s ASN 23 Ca -0.06 -0.90 0.29 0.00 -0.94 0.00 0.00 52.86 51.25 1rxh s ASN 23 Cb -0.06 0.23 1.72 0.00 -2.00 0.00 0.00 41.25 41.14 1rxh s ASN 23 CO -0.06 -1.23 2.21 0.06 -2.94 0.00 0.00 177.10 175.14 1rxh h GLN 24 N 0.36 0.00 0.00 3.55 -0.00 -1.93 -1.54 115.11 115.55 1rxh h GLN 24 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1rxh h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1rxh h GLN 24 CO 0.45 0.03 -0.04 -0.07 -0.00 0.00 0.00 178.83 179.20 1rxh h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.95 -3.47 115.31 113.34 1rxh h LEU 25 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rxh h LEU 25 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rxh h LEU 25 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1rxh n GLY 26 N 1.29 0.92 3.77 0.83 0.00 -0.58 -4.76 105.19 106.65 1rxh n GLY 26 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1rxh n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rxh s SER 27 N -2.16 5.56 -0.24 1.61 0.01 -1.26 -4.65 113.70 112.58 1rxh s SER 27 Ca 0.00 2.17 -0.06 0.00 1.31 0.00 0.00 55.95 59.37 1rxh s SER 27 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1rxh s SER 27 CO 0.00 -1.33 0.04 -0.89 0.41 0.00 0.00 173.24 171.47 1rxh s THR 28 N -1.84 4.07 -0.36 1.44 2.01 -0.39 -2.95 115.64 117.62 1rxh s THR 28 Ca 0.72 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1rxh s THR 28 Cb -0.24 -2.89 0.10 0.00 0.01 0.00 0.00 72.50 69.48 1rxh s THR 28 CO 0.30 0.37 0.09 0.12 -0.69 0.00 0.00 174.62 174.81 1rxh s PHE 29 N 1.49 3.61 -0.37 4.92 5.36 -0.27 -1.68 117.98 131.04 1rxh s PHE 29 Ca 0.06 -2.60 -0.08 0.00 -0.96 0.00 0.00 56.93 53.34 1rxh s PHE 29 Cb -0.15 -2.88 0.05 0.00 -0.34 0.00 0.00 43.02 39.70 1rxh s PHE 29 CO 0.02 -0.94 0.18 0.42 -1.46 0.00 0.00 175.22 173.44 1rxh s ILE 30 N 1.05 4.12 0.08 3.12 1.01 -0.90 0.11 121.20 129.79 1rxh s ILE 30 Ca 0.07 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1rxh s ILE 30 Cb -0.21 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1rxh s ILE 30 CO -0.06 -0.29 -0.07 0.54 0.00 0.00 0.00 174.94 175.07 1rxh s VAL 31 N 1.45 0.62 -0.17 2.92 0.11 -0.98 -0.21 120.40 124.13 1rxh s VAL 31 Ca 0.01 -1.65 0.01 0.00 -2.93 0.00 0.00 61.98 57.42 1rxh s VAL 31 Cb -0.20 -1.32 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 1rxh s VAL 31 CO 0.04 -0.72 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.02 1rxh s THR 32 N -2.89 2.32 -0.67 5.04 2.01 0.16 -1.34 115.64 120.28 1rxh s THR 32 Ca 0.04 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 1rxh s THR 32 Cb 0.00 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.56 1rxh s THR 32 CO -0.03 0.52 1.24 0.00 -0.69 0.00 0.00 174.62 175.66 1rxh s ALA 33 N 1.15 2.86 0.99 7.40 0.00 -1.26 -2.39 121.76 130.51 1rxh s ALA 33 Ca 0.01 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1rxh s ALA 33 Cb -0.14 -4.16 0.19 0.00 0.00 0.00 0.00 23.12 19.01 1rxh s ALA 33 CO -0.08 -3.00 1.10 0.20 0.00 0.00 0.00 175.76 173.98 1rxh s GLY 34 N 3.39 1.63 0.10 0.00 0.00 0.43 -4.56 107.32 108.31 1rxh s GLY 34 Ca 0.39 0.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 1rxh s GLY 34 CO 0.20 0.80 1.22 0.00 0.00 0.00 0.00 173.10 175.32 1rxh h ALA 35 N -2.07 0.22 0.00 3.20 0.00 -1.95 -3.22 119.26 115.45 1rxh h ALA 35 Ca -0.50 -0.79 -0.10 0.00 0.00 0.00 0.00 54.91 53.52 1rxh h ALA 35 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1rxh h ALA 35 CO 0.46 0.88 -0.46 0.38 0.00 0.00 0.00 179.25 180.51 1rxh h ASP 36 N 0.16 0.00 0.00 0.00 3.04 -2.00 -3.46 116.42 114.15 1rxh h ASP 36 Ca -0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 1rxh h ASP 36 Cb 1.77 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.06 1rxh h ASP 36 CO 0.19 0.46 0.00 0.61 -2.04 0.00 0.00 179.24 178.45 1rxh n GLY 37 N 0.20 0.76 3.24 7.15 0.00 -1.22 -4.94 105.19 110.38 1rxh n GLY 37 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1rxh n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxh s ALA 38 N -1.11 1.80 -0.12 4.61 0.00 -1.26 -3.24 121.76 122.44 1rxh s ALA 38 Ca 0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1rxh s ALA 38 Cb 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1rxh s ALA 38 CO 0.00 0.44 -0.04 -0.51 0.00 0.00 0.00 175.76 175.65 1rxh s LEU 39 N -0.56 3.29 -0.02 0.00 1.43 0.13 0.16 118.68 123.12 1rxh s LEU 39 Ca 0.08 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1rxh s LEU 39 Cb -0.08 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1rxh s LEU 39 CO -0.01 0.26 0.10 -0.89 0.23 0.00 0.00 176.35 176.05 1rxh s THR 40 N -0.19 0.04 -4.08 5.49 2.01 -1.01 -2.27 115.64 115.64 1rxh s THR 40 Ca 0.03 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1rxh s THR 40 Cb -0.13 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1rxh s THR 40 CO 0.02 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 1rxh n GLY 41 N 2.27 -0.54 3.27 4.40 0.00 -1.15 0.39 105.19 113.83 1rxh n GLY 41 Ca -0.18 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1rxh n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxh s THR 42 N -3.78 0.94 -0.02 2.61 -4.23 0.70 -1.91 115.64 109.96 1rxh s THR 42 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1rxh s THR 42 Cb 0.00 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1rxh s THR 42 CO 0.00 -0.53 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.04 1rxh s TYR 43 N -3.48 0.55 -0.25 3.99 6.14 0.10 -2.11 117.35 122.29 1rxh s TYR 43 Ca 0.23 -0.11 0.01 0.00 0.64 0.00 0.00 57.07 57.84 1rxh s TYR 43 Cb 0.05 -0.41 0.07 0.00 0.42 0.00 0.00 41.96 42.08 1rxh s TYR 43 CO 0.04 -0.06 -0.03 -2.00 0.64 0.00 0.00 175.55 174.14 1rxh s GLU 44 N 0.20 1.54 0.33 4.97 2.12 -0.67 0.12 118.70 127.31 1rxh s GLU 44 Ca -0.02 -1.11 -0.17 0.00 0.36 0.00 0.00 54.97 54.03 1rxh s GLU 44 Cb -0.06 -2.61 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1rxh s GLU 44 CO -0.00 -0.67 0.78 0.45 -0.54 0.00 0.00 175.26 175.27 1rxh s SER 45 N 1.35 6.84 0.00 -1.70 0.15 -1.26 -1.27 113.70 117.81 1rxh s SER 45 Ca -0.03 1.38 0.23 0.00 0.70 0.00 0.00 55.95 58.23 1rxh s SER 45 Cb -0.19 -2.41 0.16 0.00 -1.71 0.00 0.00 66.02 61.88 1rxh s SER 45 CO -0.08 -0.21 1.19 0.00 1.20 0.00 0.00 173.24 175.33 1rxh n ALA 46 N -0.31 3.76 -3.11 5.45 0.00 -1.26 -4.80 120.51 120.24 1rxh n ALA 46 Ca 0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1rxh n ALA 46 Cb 0.53 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 1rxh n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rxh s VAL 47 N -2.68 0.07 0.00 0.00 -7.23 -1.26 -5.02 120.40 104.28 1rxh s VAL 47 Ca 0.16 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 1rxh s VAL 47 Cb 0.18 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.25 1rxh s VAL 47 CO 0.65 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 1rxh n GLY 48 N 0.74 -1.36 2.80 2.32 0.00 -1.26 -4.55 105.19 103.88 1rxh n GLY 48 Ca -0.19 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 1rxh n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rxh n ASN 49 N 0.00 6.57 -4.48 1.61 5.15 -1.26 -4.96 115.26 117.90 1rxh n ASN 49 Ca 0.00 -3.56 -0.33 0.00 -0.60 0.00 0.00 54.58 50.09 1rxh n ASN 49 Cb 0.00 -1.14 -0.13 0.00 -0.53 0.00 0.00 39.78 37.98 1rxh n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rxh s ALA 50 N -3.52 2.77 -0.16 5.20 0.00 -1.26 -4.58 121.76 120.20 1rxh s ALA 50 Ca 0.36 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1rxh s ALA 50 Cb 0.13 -1.16 0.05 0.00 0.00 0.00 0.00 23.12 22.14 1rxh s ALA 50 CO -0.02 0.44 0.00 -2.00 0.00 0.00 0.00 175.76 174.18 1rxh s GLU 51 N -0.34 0.90 1.69 0.00 2.12 -1.26 -4.88 118.70 116.93 1rxh s GLU 51 Ca 0.04 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1rxh s GLU 51 Cb -0.13 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.40 1rxh s GLU 51 CO 0.02 -0.51 0.00 0.45 -0.54 0.00 0.00 175.26 174.68 1rxh n SER 52 N 5.01 -4.12 -4.77 -1.70 2.88 -1.26 -4.77 113.62 104.88 1rxh n SER 52 Ca -0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.09 1rxh n SER 52 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 1rxh n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1rxh s ARG 53 N 0.00 3.58 0.13 -1.46 0.52 -1.26 -4.34 118.95 116.13 1rxh s ARG 53 Ca 0.00 1.66 0.07 0.00 -0.52 0.00 0.00 55.73 56.94 1rxh s ARG 53 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 1rxh s ARG 53 CO 0.00 -0.67 -0.16 0.71 0.02 0.00 0.00 175.30 175.19 1rxh s TYR 54 N -1.68 1.59 0.77 -0.53 1.51 0.31 -4.87 117.35 114.45 1rxh s TYR 54 Ca 0.68 -0.50 -0.11 0.00 -1.01 0.00 0.00 57.07 56.13 1rxh s TYR 54 Cb -0.25 -0.83 0.05 0.00 -0.11 0.00 0.00 41.96 40.82 1rxh s TYR 54 CO 0.30 0.21 1.09 0.08 -1.11 0.00 0.00 175.55 176.12 1rxh s VAL 55 N -1.92 3.40 -0.17 0.71 1.01 -1.26 0.03 120.40 122.19 1rxh s VAL 55 Ca 0.10 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 1rxh s VAL 55 Cb -0.06 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1rxh s VAL 55 CO 0.04 -0.59 0.46 -1.48 0.00 0.00 0.00 175.10 173.53 1rxh s LEU 56 N -5.88 0.25 -0.10 3.92 0.05 -0.80 -4.38 118.68 111.73 1rxh s LEU 56 Ca 0.61 0.92 -0.07 0.00 0.05 0.00 0.00 54.13 55.63 1rxh s LEU 56 Cb -0.17 1.57 0.03 0.00 -2.05 0.00 0.00 46.19 45.58 1rxh s LEU 56 CO 0.56 -0.16 0.25 0.28 -0.55 0.00 0.00 176.35 176.72 1rxh s THR 57 N 0.23 -0.01 0.06 5.48 -1.32 -1.18 -2.94 115.64 115.95 1rxh s THR 57 Ca -0.00 0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1rxh s THR 57 Cb -0.03 -0.36 0.01 0.00 -1.51 0.00 0.00 72.50 70.61 1rxh s THR 57 CO 0.01 0.02 0.11 0.61 -2.21 0.00 0.00 174.62 173.16 1rxh n GLY 58 N 3.40 1.89 3.22 6.08 0.00 -0.96 -1.45 105.19 117.36 1rxh n GLY 58 Ca -0.17 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1rxh n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rxh s ARG 59 N -2.02 0.95 0.12 1.61 1.81 -0.86 0.22 118.95 120.78 1rxh s ARG 59 Ca 0.02 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 1rxh s ARG 59 Cb -0.01 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 1rxh s ARG 59 CO 0.02 0.24 -0.00 1.52 -0.68 0.00 0.00 175.30 176.39 1rxh s TYR 60 N -1.21 0.90 -0.49 -0.53 1.13 -1.20 -2.48 117.35 113.48 1rxh s TYR 60 Ca 0.01 -1.07 -0.28 0.00 -1.41 0.00 0.00 57.07 54.33 1rxh s TYR 60 Cb -0.10 -0.53 0.01 0.00 -1.10 0.00 0.00 41.96 40.24 1rxh s TYR 60 CO 0.03 -0.32 1.40 0.34 -2.51 0.00 0.00 175.55 174.49 1rxh s ASP 61 N -3.06 6.25 0.42 -0.18 -1.08 -0.27 -4.77 116.67 113.99 1rxh s ASP 61 Ca 0.18 0.55 0.13 0.00 -0.52 0.00 0.00 52.55 52.89 1rxh s ASP 61 Cb 0.07 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.89 1rxh s ASP 61 CO -0.01 -1.55 1.94 0.28 0.52 0.00 0.00 175.17 176.34 1rxh h SER 62 N 10.80 0.02 -2.67 -0.34 0.02 -1.92 -3.33 113.55 116.13 1rxh h SER 62 Ca -0.27 -0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.07 1rxh h SER 62 Cb 1.10 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 63.23 1rxh h SER 62 CO 1.13 0.25 -0.81 0.00 -1.14 0.00 0.00 176.83 176.27 1rxh s ALA 63 N -4.53 2.43 1.00 3.77 0.00 -1.26 -5.11 121.76 118.06 1rxh s ALA 63 Ca -0.04 -3.05 -0.12 0.00 0.00 0.00 0.00 51.96 48.75 1rxh s ALA 63 Cb 0.15 -1.84 0.19 0.00 0.00 0.00 0.00 23.12 21.62 1rxh s ALA 63 CO 0.71 -2.03 1.09 -1.25 0.00 0.00 0.00 175.76 174.28 1rxh s PRO 64 N -0.59 0.44 0.77 0.00 0.04 -1.25 -4.96 135.00 129.45 1rxh s PRO 64 Ca 0.30 0.60 -0.15 0.00 0.04 0.00 0.00 61.00 61.78 1rxh s PRO 64 Cb 0.00 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.82 1rxh s PRO 64 CO -0.19 -2.75 0.78 0.00 0.04 0.00 0.00 177.00 174.89 1rxh n ALA 65 N -4.20 -0.99 0.66 8.56 0.00 -1.26 -4.88 120.51 118.40 1rxh n ALA 65 Ca 0.05 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1rxh n ALA 65 Cb 0.57 -2.00 0.16 0.00 0.00 0.00 0.00 19.45 18.17 1rxh n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxh n THR 66 N -2.77 0.24 0.00 0.00 -2.24 -1.26 -4.72 114.28 103.52 1rxh n THR 66 Ca 0.11 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1rxh n THR 66 Cb 0.50 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1rxh n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rxh n ASP 67 N -1.95 0.00 0.00 3.42 4.64 -1.26 -4.90 116.55 116.50 1rxh n ASP 67 Ca 0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 1rxh n ASP 67 Cb 0.42 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.50 1rxh n ASP 67 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1rxh n GLY 68 N 0.00 1.00 3.32 0.27 0.00 -1.26 -5.10 105.19 103.41 1rxh n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1rxh n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rxh n SER 69 N 0.00 -2.91 -4.60 1.61 7.64 -1.26 -4.98 113.62 109.13 1rxh n SER 69 Ca 0.00 0.40 -0.25 0.00 1.01 0.00 0.00 58.87 60.04 1rxh n SER 69 Cb 0.08 -1.07 0.12 0.00 -1.01 0.00 0.00 64.21 62.33 1rxh n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rxh s GLY 70 N -1.51 1.76 -0.26 0.23 0.00 -1.26 -4.79 107.32 101.48 1rxh s GLY 70 Ca 0.55 -1.60 -0.15 0.00 0.00 0.00 0.00 44.72 43.52 1rxh s GLY 70 CO 0.68 -1.01 0.37 -1.59 0.00 0.00 0.00 173.10 171.56 1rxh s THR 71 N -3.27 5.18 0.61 0.90 2.01 0.55 -4.67 115.64 116.95 1rxh s THR 71 Ca 0.67 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 63.09 1rxh s THR 71 Cb -0.05 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1rxh s THR 71 CO 0.46 0.17 1.08 0.00 -0.69 0.00 0.00 174.62 175.64 1rxh s ALA 72 N 1.98 2.64 0.00 7.40 0.00 -1.26 -0.71 121.76 131.81 1rxh s ALA 72 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1rxh s ALA 72 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1rxh s ALA 72 CO 0.10 -0.95 0.00 1.47 0.00 0.00 0.00 175.76 176.38 1rxh n LEU 73 N -2.03 0.00 0.00 0.00 -0.00 0.00 -1.11 117.00 113.86 1rxh n LEU 73 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1rxh n LEU 73 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1rxh n LEU 73 CO 0.46 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.46 1rxh n GLY 74 N 0.00 3.70 3.58 1.47 0.00 -1.03 -2.85 105.19 110.05 1rxh n GLY 74 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1rxh n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1rxh s TRP 75 N -0.49 1.89 -0.07 1.61 -2.14 -0.86 -2.02 118.94 116.85 1rxh s TRP 75 Ca 0.00 -1.10 -0.01 0.00 2.66 0.00 0.00 56.10 57.65 1rxh s TRP 75 Cb 0.00 -1.35 0.03 0.00 -3.10 0.00 0.00 33.47 29.05 1rxh s TRP 75 CO 0.00 -0.05 -0.01 0.99 -2.66 0.00 0.00 176.95 175.22 1rxh s THR 76 N -3.09 0.45 -0.22 0.66 2.01 -0.53 -1.75 115.64 113.16 1rxh s THR 76 Ca 0.21 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 1rxh s THR 76 Cb 0.04 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1rxh s THR 76 CO 0.12 0.27 0.03 -0.69 -0.69 0.00 0.00 174.62 173.66 1rxh s VAL 77 N 1.88 4.12 -0.34 3.82 1.01 0.10 -3.12 120.40 127.86 1rxh s VAL 77 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1rxh s VAL 77 Cb -0.12 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1rxh s VAL 77 CO -0.05 0.39 0.36 0.00 0.00 0.00 0.00 175.10 175.80 1rxh s ALA 78 N 1.30 3.49 -0.62 5.51 0.00 -1.26 -0.70 121.76 129.48 1rxh s ALA 78 Ca 0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1rxh s ALA 78 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1rxh s ALA 78 CO 0.02 -1.09 1.78 0.91 0.00 0.00 0.00 175.76 177.38 1rxh n TRP 79 N 5.39 0.93 -3.86 0.00 7.02 0.01 -4.76 117.44 122.17 1rxh n TRP 79 Ca -0.09 -1.50 -0.15 0.00 -1.02 0.00 0.00 57.50 54.74 1rxh n TRP 79 Cb 0.49 -1.34 -0.16 0.00 -2.42 0.00 0.00 31.31 27.89 1rxh n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1rxh s LYS 80 N 3.82 0.11 0.00 -0.99 2.20 -1.26 -0.90 119.74 122.72 1rxh s LYS 80 Ca 0.28 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1rxh s LYS 80 Cb 0.07 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1rxh s LYS 80 CO -0.02 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 1rxh n ASN 81 N 3.97 0.00 0.07 1.43 0.23 -0.89 -4.64 115.26 115.43 1rxh n ASN 81 Ca -0.25 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.92 1rxh n ASN 81 Cb 0.52 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.49 1rxh n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rxh n ASN 82 N 0.00 0.72 -0.10 0.53 3.02 -1.26 -4.26 115.26 113.90 1rxh n ASN 82 Ca 0.00 0.28 -0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1rxh n ASN 82 Cb 0.00 -0.20 -0.15 0.00 -0.61 0.00 0.00 39.78 38.82 1rxh n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rxh n TYR 83 N -2.13 0.10 -3.60 3.10 4.01 -1.26 -5.04 117.16 112.34 1rxh n TYR 83 Ca 0.04 0.03 -0.13 0.00 -0.16 0.00 0.00 57.90 57.69 1rxh n TYR 83 Cb 0.43 -1.02 -0.05 0.00 -0.31 0.00 0.00 39.34 38.39 1rxh n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1rxh s ARG 84 N -2.51 1.03 -0.34 -0.72 0.52 -1.26 -5.01 118.95 110.66 1rxh s ARG 84 Ca -0.17 -0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1rxh s ARG 84 Cb 0.07 0.46 0.12 0.00 0.52 0.00 0.00 34.95 36.12 1rxh s ARG 84 CO 0.77 -0.38 0.16 1.21 0.02 0.00 0.00 175.30 177.07 1rxh s ASN 85 N -2.22 3.57 0.00 0.23 3.84 -1.26 -2.10 114.94 117.00 1rxh s ASN 85 Ca -0.03 -1.87 0.10 0.00 0.21 0.00 0.00 52.86 51.27 1rxh s ASN 85 Cb -0.00 -0.65 0.58 0.00 -0.55 0.00 0.00 41.25 40.63 1rxh s ASN 85 CO -0.05 -0.37 1.18 0.00 -2.79 0.00 0.00 177.10 175.08 1rxh n ALA 86 N 4.51 2.32 -3.72 1.71 0.00 -0.08 -4.89 120.51 120.36 1rxh n ALA 86 Ca 0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1rxh n ALA 86 Cb 0.39 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.70 1rxh n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rxh n HIS 87 N -0.70 -2.00 0.00 0.00 8.25 -1.26 -4.90 115.22 114.62 1rxh n HIS 87 Ca 0.07 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1rxh n HIS 87 Cb 0.03 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.00 1rxh n HIS 87 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rxh n SER 88 N -2.42 0.00 -4.58 0.41 3.41 -1.26 -2.66 113.62 106.52 1rxh n SER 88 Ca -0.17 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.16 1rxh n SER 88 Cb 0.61 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.47 1rxh n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxh s ALA 89 N -1.33 2.96 -0.09 7.33 0.00 -0.92 -0.81 121.76 128.90 1rxh s ALA 89 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.61 1rxh s ALA 89 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1rxh s ALA 89 CO 0.00 0.53 -0.21 0.99 0.00 0.00 0.00 175.76 177.07 1rxh s THR 90 N -1.52 1.78 -0.15 0.00 2.01 0.12 -1.54 115.64 116.34 1rxh s THR 90 Ca 0.24 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1rxh s THR 90 Cb -0.10 -1.55 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 1rxh s THR 90 CO 0.15 0.50 -0.17 0.42 -0.69 0.00 0.00 174.62 174.83 1rxh s THR 91 N 0.39 2.57 -0.19 -0.82 -4.23 -0.98 -0.72 115.64 111.64 1rxh s THR 91 Ca -0.16 -0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1rxh s THR 91 Cb -0.17 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1rxh s THR 91 CO 0.07 0.52 0.07 0.26 -0.54 0.00 0.00 174.62 175.00 1rxh s TRP 92 N 0.74 3.23 -0.13 3.99 0.51 -0.72 -0.83 118.94 125.74 1rxh s TRP 92 Ca -0.07 0.02 0.03 0.00 -2.12 0.00 0.00 56.10 53.96 1rxh s TRP 92 Cb -0.16 -2.10 0.00 0.00 -0.81 0.00 0.00 33.47 30.41 1rxh s TRP 92 CO 0.01 0.09 -0.22 0.45 -0.51 0.00 0.00 176.95 176.77 1rxh s SER 93 N 0.54 3.19 0.02 2.95 0.15 0.53 -2.02 113.70 119.05 1rxh s SER 93 Ca 0.03 -0.57 -0.06 0.00 0.70 0.00 0.00 55.95 56.06 1rxh s SER 93 Cb -0.13 -1.45 0.02 0.00 -1.71 0.00 0.00 66.02 62.75 1rxh s SER 93 CO 0.01 0.11 0.28 0.61 1.20 0.00 0.00 173.24 175.45 1rxh n GLY 94 N 3.87 0.80 3.35 9.45 0.00 -1.13 -1.13 105.19 120.39 1rxh n GLY 94 Ca -0.20 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 1rxh n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rxh s GLN 95 N -2.01 1.33 -0.01 1.61 -2.07 -0.37 -0.81 119.66 117.32 1rxh s GLN 95 Ca 0.06 -1.45 -0.00 0.00 -1.82 0.00 0.00 55.36 52.15 1rxh s GLN 95 Cb -0.00 -1.40 -0.04 0.00 -1.09 0.00 0.00 33.01 30.48 1rxh s GLN 95 CO 0.00 0.28 0.06 -0.47 -1.32 0.00 0.00 175.29 173.85 1rxh s TYR 96 N -2.10 3.25 -0.08 9.60 5.04 0.11 -1.41 117.35 131.76 1rxh s TYR 96 Ca 0.18 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 54.99 1rxh s TYR 96 Cb -0.06 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.55 1rxh s TYR 96 CO 0.07 0.54 0.00 0.08 -1.34 0.00 0.00 175.55 174.90 1rxh s VAL 97 N -1.15 0.40 0.51 3.14 1.01 -0.92 -0.33 120.40 123.06 1rxh s VAL 97 Ca 0.21 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1rxh s VAL 97 Cb -0.12 -0.58 0.12 0.00 0.00 0.00 0.00 36.38 35.80 1rxh s VAL 97 CO 0.12 0.23 0.65 0.61 0.00 0.00 0.00 175.10 176.71 1rxh n GLY 98 N 5.14 -1.50 0.00 4.51 0.00 -1.26 -2.10 105.19 109.97 1rxh n GLY 98 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1rxh n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rxh n GLY 99 N 0.37 0.73 0.19 -0.02 0.00 -1.26 -4.50 105.19 100.71 1rxh n GLY 99 Ca 0.08 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1rxh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxh h ALA 100 N 0.00 0.88 -2.12 4.61 0.00 -2.05 -3.26 119.26 117.32 1rxh h ALA 100 Ca 0.00 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 1rxh h ALA 100 Cb 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 1rxh h ALA 100 CO 0.00 0.11 -0.83 0.39 0.00 0.00 0.00 179.25 178.91 1rxh n GLU 101 N -3.06 1.66 -1.88 0.00 4.71 -1.26 -5.06 120.64 115.75 1rxh n GLU 101 Ca 0.03 -3.99 -0.42 0.00 -0.01 0.00 0.00 57.16 52.77 1rxh n GLU 101 Cb 0.57 -1.77 -0.03 0.00 -1.01 0.00 0.00 31.44 29.20 1rxh n GLU 101 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rxh s ALA 102 N -1.84 3.61 0.26 0.62 0.00 -1.23 -4.87 121.76 118.30 1rxh s ALA 102 Ca 0.37 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1rxh s ALA 102 Cb 0.15 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1rxh s ALA 102 CO -0.06 -1.46 0.06 1.03 0.00 0.00 0.00 175.76 175.33 1rxh s ARG 103 N 4.18 1.42 -0.31 0.00 1.81 -0.89 -4.10 118.95 121.05 1rxh s ARG 103 Ca 0.79 -1.76 -0.02 0.00 -1.72 0.00 0.00 55.73 53.02 1rxh s ARG 103 Cb -0.37 -0.47 0.11 0.00 -0.45 0.00 0.00 34.95 33.77 1rxh s ARG 103 CO 0.34 -0.21 0.13 0.42 -0.68 0.00 0.00 175.30 175.29 1rxh s ILE 104 N -3.58 0.41 -0.09 1.52 1.01 -0.47 -2.17 121.20 117.84 1rxh s ILE 104 Ca 0.34 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 1rxh s ILE 104 Cb 0.07 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1rxh s ILE 104 CO 0.12 -0.74 0.61 0.20 0.00 0.00 0.00 174.94 175.13 1rxh s ASN 105 N 1.73 6.86 0.35 3.58 0.01 -0.50 -1.07 114.94 125.90 1rxh s ASN 105 Ca 0.11 1.03 0.01 0.00 -0.71 0.00 0.00 52.86 53.30 1rxh s ASN 105 Cb -0.18 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 1rxh s ASN 105 CO -0.27 -0.07 0.42 0.42 -1.51 0.00 0.00 177.10 176.09 1rxh s THR 106 N 0.73 0.00 0.04 1.60 -4.23 -0.30 -1.24 115.64 112.26 1rxh s THR 106 Ca 0.33 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1rxh s THR 106 Cb -0.17 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 1rxh s THR 106 CO 0.15 0.00 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.10 1rxh s GLN 107 N -3.12 0.56 0.10 3.99 -0.21 -0.28 -2.58 119.66 118.12 1rxh s GLN 107 Ca 0.34 -1.10 -0.08 0.00 0.02 0.00 0.00 55.36 54.54 1rxh s GLN 107 Cb 0.00 0.19 -0.01 0.00 1.00 0.00 0.00 33.01 34.20 1rxh s GLN 107 CO 0.23 -0.10 0.19 1.67 -2.12 0.00 0.00 175.29 175.16 1rxh s TRP 108 N -3.44 0.25 -0.15 0.91 1.48 -0.12 -0.35 118.94 117.53 1rxh s TRP 108 Ca 0.02 -0.67 -0.00 0.00 -1.06 0.00 0.00 56.10 54.39 1rxh s TRP 108 Cb 0.04 -0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.29 1rxh s TRP 108 CO -0.08 -0.57 -0.09 -0.51 -4.06 0.00 0.00 176.95 171.63 1rxh s LEU 109 N -2.89 1.60 -0.99 -4.66 1.43 -0.01 -2.66 118.68 110.50 1rxh s LEU 109 Ca 0.08 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1rxh s LEU 109 Cb 0.05 -1.02 0.20 0.00 0.03 0.00 0.00 46.19 45.45 1rxh s LEU 109 CO -0.08 -0.12 1.06 -0.22 0.23 0.00 0.00 176.35 177.22 1rxh s LEU 110 N 1.58 5.92 0.04 1.79 1.98 0.28 -2.33 118.68 127.93 1rxh s LEU 110 Ca 0.03 -2.80 -0.20 0.00 -2.89 0.00 0.00 54.13 48.28 1rxh s LEU 110 Cb -0.14 -2.29 -0.06 0.00 0.66 0.00 0.00 46.19 44.36 1rxh s LEU 110 CO -0.09 -0.66 0.57 -0.89 -1.89 0.00 0.00 176.35 173.39 1rxh s THR 111 N 0.73 4.83 -0.06 3.68 2.01 -0.59 -1.39 115.64 124.84 1rxh s THR 111 Ca 0.29 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.53 1rxh s THR 111 Cb -0.07 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1rxh s THR 111 CO -0.07 0.50 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.76 1rxh s SER 112 N -0.71 3.86 0.30 3.53 0.01 -1.06 -2.17 113.70 117.46 1rxh s SER 112 Ca 0.29 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.99 1rxh s SER 112 Cb -0.19 -0.97 -0.10 0.00 0.21 0.00 0.00 66.02 64.97 1rxh s SER 112 CO 0.18 0.30 1.43 -0.83 0.41 0.00 0.00 173.24 174.72 1rxh s GLY 113 N -0.44 2.62 0.34 3.44 0.00 -1.09 -4.89 107.32 107.31 1rxh s GLY 113 Ca 0.05 1.39 -0.12 0.00 0.00 0.00 0.00 44.72 46.04 1rxh s GLY 113 CO 0.02 2.20 0.65 -0.51 0.00 0.00 0.00 173.10 175.46 1rxh s THR 114 N -0.57 0.00 -0.01 0.90 -4.23 -1.26 -5.03 115.64 105.44 1rxh s THR 114 Ca 0.55 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 59.65 1rxh s THR 114 Cb -0.43 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 1rxh s THR 114 CO 0.51 0.00 0.51 0.42 -0.54 0.00 0.00 174.62 175.52 1rxh s THR 115 N -2.95 4.97 0.39 3.99 -4.23 -1.26 -4.88 115.64 111.68 1rxh s THR 115 Ca 0.20 1.06 0.33 0.00 -1.18 0.00 0.00 61.69 62.10 1rxh s THR 115 Cb -0.03 -3.84 0.49 0.00 1.34 0.00 0.00 72.50 70.46 1rxh s THR 115 CO 0.13 0.47 1.22 -0.62 -0.54 0.00 0.00 174.62 175.28 1rxh n GLU 116 N 2.51 -0.01 0.02 3.99 1.02 -1.26 0.17 120.64 127.08 1rxh n GLU 116 Ca -0.10 0.91 0.07 0.00 -0.02 0.00 0.00 57.16 58.02 1rxh n GLU 116 Cb 0.51 -1.94 0.29 0.00 -0.02 0.00 0.00 31.44 30.28 1rxh n GLU 116 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rxh n ALA 117 N -2.63 1.52 -0.07 0.62 0.00 -1.26 -1.93 120.51 116.75 1rxh n ALA 117 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1rxh n ALA 117 Cb 1.41 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1rxh n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rxh n ASN 118 N -1.63 0.64 -0.36 0.00 4.13 0.46 -4.67 115.26 113.83 1rxh n ASN 118 Ca 0.02 -0.84 0.31 0.00 1.68 0.00 0.00 54.58 55.76 1rxh n ASN 118 Cb 0.14 0.26 0.58 0.00 -1.54 0.00 0.00 39.78 39.22 1rxh n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rxh h ALA 119 N 0.00 2.26 -0.38 5.41 0.00 -0.77 0.58 119.26 126.36 1rxh h ALA 119 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1rxh h ALA 119 Cb 0.04 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1rxh h ALA 119 CO 0.00 -0.98 0.19 0.11 0.00 0.00 0.00 179.25 178.57 1rxh h TRP 120 N 0.09 0.35 -0.66 0.00 5.08 -1.83 -1.81 115.95 117.18 1rxh h TRP 120 Ca 0.82 0.02 -0.36 0.00 1.08 0.00 0.00 58.89 60.45 1rxh h TRP 120 Cb 2.21 -0.10 -0.20 0.00 -3.00 0.00 0.00 29.16 28.06 1rxh h TRP 120 CO -0.01 0.18 0.46 0.36 -1.28 0.00 0.00 178.44 178.15 1rxh n LYS 121 N -4.93 1.87 -0.04 0.12 2.85 0.20 -4.41 118.16 113.81 1rxh n LYS 121 Ca 0.01 -2.00 -0.15 0.00 -1.05 0.00 0.00 58.31 55.12 1rxh n LYS 121 Cb 0.09 -1.79 -0.03 0.00 -0.65 0.00 0.00 35.03 32.65 1rxh n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rxh h SER 122 N 0.82 0.90 -2.77 -5.58 4.64 -0.95 -3.46 113.55 107.15 1rxh h SER 122 Ca 0.42 -0.52 -0.66 0.00 -0.47 0.00 0.00 61.79 60.56 1rxh h SER 122 Cb 2.01 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 63.76 1rxh h SER 122 CO 0.78 1.31 -0.48 -0.89 -0.87 0.00 0.00 176.83 176.67 1rxh s THR 123 N -3.97 5.47 -0.08 2.95 2.01 -1.26 -2.57 115.64 118.18 1rxh s THR 123 Ca -0.10 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1rxh s THR 123 Cb 0.10 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1rxh s THR 123 CO 0.89 0.59 -0.17 -0.60 -0.69 0.00 0.00 174.62 174.63 1rxh s ARG 124 N -0.77 2.83 0.13 4.92 3.52 -0.49 -4.93 118.95 124.16 1rxh s ARG 124 Ca 0.14 -0.75 0.11 0.00 -0.13 0.00 0.00 55.73 55.09 1rxh s ARG 124 Cb -0.12 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1rxh s ARG 124 CO 0.03 0.41 -0.26 0.54 -0.81 0.00 0.00 175.30 175.21 1rxh s VAL 125 N -0.19 2.34 0.00 7.11 0.11 -1.26 0.10 120.40 128.60 1rxh s VAL 125 Ca -0.01 -1.71 0.00 0.00 -2.93 0.00 0.00 61.98 57.33 1rxh s VAL 125 Cb -0.13 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.68 1rxh s VAL 125 CO 0.03 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1rxh n GLY 126 N 0.92 1.23 3.05 6.54 0.00 -1.09 -5.00 105.19 110.84 1rxh n GLY 126 Ca -0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1rxh n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1rxh s HIS 127 N -4.08 -0.45 -0.03 1.61 -3.43 -1.26 -0.94 115.29 106.71 1rxh s HIS 127 Ca 0.00 1.00 -0.00 0.00 -0.80 0.00 0.00 55.06 55.26 1rxh s HIS 127 Cb 0.00 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.14 1rxh s HIS 127 CO 0.00 -0.34 0.04 -0.51 -2.00 0.00 0.00 174.74 171.93 1rxh s ASP 128 N 2.17 5.44 -0.19 7.38 1.11 -1.06 -4.93 116.67 126.60 1rxh s ASP 128 Ca -0.02 0.12 0.01 0.00 0.18 0.00 0.00 52.55 52.84 1rxh s ASP 128 Cb -0.12 -1.53 0.04 0.00 1.07 0.00 0.00 42.92 42.38 1rxh s ASP 128 CO -0.09 0.31 -0.12 -0.89 1.18 0.00 0.00 175.17 175.55 1rxh s THR 129 N -1.08 1.73 0.02 -1.27 2.01 -1.26 -1.15 115.64 114.64 1rxh s THR 129 Ca 0.19 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 1rxh s THR 129 Cb -0.12 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1rxh s THR 129 CO 0.10 0.26 0.26 -0.36 -0.69 0.00 0.00 174.62 174.18 1rxh s PHE 130 N 1.37 3.56 0.16 4.92 0.40 -0.23 -3.46 117.98 124.70 1rxh s PHE 130 Ca 0.00 0.52 0.09 0.00 -0.60 0.00 0.00 56.93 56.93 1rxh s PHE 130 Cb -0.15 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1rxh s PHE 130 CO -0.09 0.60 -0.19 0.99 0.70 0.00 0.00 175.22 177.24 1rxh s THR 131 N -1.34 1.85 -2.01 0.64 2.01 0.76 -1.36 115.64 116.19 1rxh s THR 131 Ca 0.29 -1.91 0.16 0.00 0.31 0.00 0.00 61.69 60.54 1rxh s THR 131 Cb -0.13 -1.85 0.13 0.00 0.01 0.00 0.00 72.50 70.66 1rxh s THR 131 CO 0.18 -0.29 1.01 1.17 -0.69 0.00 0.00 174.62 175.99