#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y53 s SER 5 N 1.71 4.54 0.24 0.00 0.15 -1.26 -4.72 113.70 114.37 1y53 s SER 5 Ca 0.07 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 56.84 1y53 s SER 5 Cb -0.18 -1.42 0.92 0.00 -1.71 0.00 0.00 66.02 63.63 1y53 s SER 5 CO 0.11 0.26 1.74 0.18 1.20 0.00 0.00 173.24 176.73 1y53 n LEU 6 N 2.88 0.73 -4.60 3.45 4.32 -1.26 -4.81 117.00 117.70 1y53 n LEU 6 Ca -0.18 0.63 -0.50 0.00 -0.02 0.00 0.00 56.01 55.95 1y53 n LEU 6 Cb 0.53 -0.48 -0.05 0.00 -1.62 0.00 0.00 43.42 41.79 1y53 n LEU 6 CO 0.29 -0.42 0.90 0.41 -1.22 0.00 0.00 177.39 177.35 1y53 n THR 7 N -2.25 0.31 0.00 -5.08 -1.04 -1.26 -4.56 114.28 100.39 1y53 n THR 7 Ca 0.03 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1y53 n THR 7 Cb 0.30 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1y53 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y53 n GLY 8 N 2.47 0.58 3.68 3.41 0.00 -0.13 -4.94 105.19 110.27 1y53 n GLY 8 Ca 0.17 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1y53 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y53 s LYS 9 N -0.76 3.06 0.04 1.61 1.02 -1.26 -0.89 119.74 122.55 1y53 s LYS 9 Ca 0.00 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1y53 s LYS 9 Cb 0.00 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1y53 s LYS 9 CO 0.00 0.68 -0.09 -1.58 -0.92 0.00 0.00 175.35 173.44 1y53 s TRP 10 N -0.81 0.76 0.16 3.18 0.52 0.01 -1.18 118.94 121.58 1y53 s TRP 10 Ca 0.12 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.87 1y53 s TRP 10 Cb -0.11 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.71 1y53 s TRP 10 CO 0.02 -0.05 -0.19 0.95 0.02 0.00 0.00 176.95 177.70 1y53 s THR 11 N -1.27 1.90 0.54 2.01 -4.23 -0.26 -0.93 115.64 113.40 1y53 s THR 11 Ca -0.08 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1y53 s THR 11 Cb -0.09 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.90 1y53 s THR 11 CO 0.01 -0.26 0.29 0.54 -0.54 0.00 0.00 174.62 174.65 1y53 s ASN 12 N -2.61 4.49 0.39 3.99 2.20 -0.51 -1.30 114.94 121.59 1y53 s ASN 12 Ca 0.16 -1.38 0.28 0.00 -0.94 0.00 0.00 52.86 50.98 1y53 s ASN 12 Cb -0.06 0.48 1.33 0.00 -2.00 0.00 0.00 41.25 41.00 1y53 s ASN 12 CO 0.07 -1.05 1.85 -0.55 -2.94 0.00 0.00 177.10 174.48 1y53 h ASN 13 N 0.91 0.00 -0.09 3.54 -1.07 -1.76 -0.75 115.58 116.35 1y53 h ASN 13 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.98 1y53 h ASN 13 Cb 1.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.56 1y53 h ASN 13 CO 0.62 0.00 0.00 0.18 0.07 0.00 0.00 177.43 178.30 1y53 n LEU 14 N -2.53 2.78 0.00 6.14 4.77 -1.26 -4.97 117.00 121.93 1y53 n LEU 14 Ca -0.00 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1y53 n LEU 14 Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1y53 n LEU 14 CO 0.18 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1y53 n GLY 15 N 1.34 0.66 3.75 -0.72 0.00 -0.29 -4.76 105.19 105.16 1y53 n GLY 15 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1y53 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y53 s SER 16 N -3.00 4.81 -0.03 1.61 0.01 -1.26 -4.70 113.70 111.14 1y53 s SER 16 Ca 0.00 2.22 0.05 0.00 1.31 0.00 0.00 55.95 59.52 1y53 s SER 16 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1y53 s SER 16 CO 0.00 -1.84 -0.16 -0.63 0.41 0.00 0.00 173.24 171.02 1y53 s ILE 17 N -2.03 1.34 0.08 1.44 1.01 -0.54 -1.43 121.20 121.08 1y53 s ILE 17 Ca 0.72 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1y53 s ILE 17 Cb -0.26 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1y53 s ILE 17 CO 0.40 0.39 -0.11 0.00 0.00 0.00 0.00 174.94 175.61 1y53 s MET 18 N -0.12 0.80 -0.13 2.79 0.23 -0.11 -0.53 119.30 122.23 1y53 s MET 18 Ca 0.00 -1.02 0.01 0.00 -1.03 0.00 0.00 55.69 53.65 1y53 s MET 18 Cb -0.09 -0.63 0.02 0.00 -1.53 0.00 0.00 34.83 32.60 1y53 s MET 18 CO 0.01 0.12 -0.15 0.99 -2.03 0.00 0.00 175.02 173.96 1y53 s THR 19 N -1.83 1.56 -0.11 3.16 2.01 -0.18 -0.81 115.64 119.45 1y53 s THR 19 Ca 0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1y53 s THR 19 Cb -0.07 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1y53 s THR 19 CO 0.01 0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.64 1y53 s ILE 20 N 1.28 3.15 0.00 1.82 1.01 -0.07 -0.94 121.20 127.45 1y53 s ILE 20 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1y53 s ILE 20 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1y53 s ILE 20 CO -0.07 0.54 0.00 0.54 0.00 0.00 0.00 174.94 175.95 1y53 n ARG 21 N 3.13 0.96 -1.74 2.79 1.74 -0.19 -0.96 116.66 122.38 1y53 n ARG 21 Ca -0.18 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 1y53 n ARG 21 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.95 1y53 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y53 n ALA 22 N -3.00 2.22 -2.67 7.54 0.00 -1.26 -4.19 120.51 119.15 1y53 n ALA 22 Ca 0.00 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.41 1y53 n ALA 22 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 1y53 n ALA 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1y53 s VAL 23 N -0.42 5.07 0.78 0.00 1.01 -1.26 -4.56 120.40 121.02 1y53 s VAL 23 Ca 0.61 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 1y53 s VAL 23 Cb -0.51 -3.90 0.17 0.00 0.00 0.00 0.00 36.38 32.14 1y53 s VAL 23 CO 0.54 0.17 1.06 -0.46 0.00 0.00 0.00 175.10 176.41 1y53 n ASN 24 N 4.73 0.36 0.23 3.32 0.23 -0.49 -4.87 115.26 118.77 1y53 n ASN 24 Ca -0.03 -1.55 0.16 0.00 -0.53 0.00 0.00 54.58 52.62 1y53 n ASN 24 Cb 0.50 -0.79 0.62 0.00 -2.08 0.00 0.00 39.78 38.04 1y53 n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1y53 h SER 25 N -1.25 0.00 1.01 0.53 4.64 -1.98 -0.99 113.55 115.52 1y53 h SER 25 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1y53 h SER 25 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1y53 h SER 25 CO 0.27 0.00 -0.07 0.54 -0.87 0.00 0.00 176.83 176.70 1y53 n ARG 26 N -2.82 0.04 -0.53 4.77 5.12 -1.26 -4.93 116.66 117.06 1y53 n ARG 26 Ca 0.01 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1y53 n ARG 26 Cb 0.28 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1y53 n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y53 n GLY 27 N 1.47 0.75 3.79 -0.13 0.00 -0.37 -4.79 105.19 105.91 1y53 n GLY 27 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1y53 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y53 s GLU 28 N -0.47 4.33 0.01 1.61 2.02 -1.26 -0.45 118.70 124.49 1y53 s GLU 28 Ca 0.00 1.33 -0.13 0.00 0.02 0.00 0.00 54.97 56.19 1y53 s GLU 28 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.72 1y53 s GLU 28 CO 0.00 0.04 0.27 -0.59 0.02 0.00 0.00 175.26 174.99 1y53 s PHE 29 N -1.79 -0.09 0.41 1.61 -0.12 -0.36 -1.39 117.98 116.24 1y53 s PHE 29 Ca 0.56 0.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.54 1y53 s PHE 29 Cb -0.17 0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 42.20 1y53 s PHE 29 CO 0.22 -0.42 0.01 -0.08 -0.05 0.00 0.00 175.22 174.91 1y53 s THR 30 N -1.90 1.85 -0.68 -4.49 -1.32 -1.26 -1.06 115.64 106.78 1y53 s THR 30 Ca -0.10 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.38 1y53 s THR 30 Cb -0.04 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 1y53 s THR 30 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1y53 n GLY 31 N -0.97 -1.04 3.24 6.08 0.00 -0.89 -1.03 105.19 110.58 1y53 n GLY 31 Ca -0.06 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 1y53 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y53 s THR 32 N -3.00 1.21 -0.04 2.61 -4.23 -0.11 -1.52 115.64 110.56 1y53 s THR 32 Ca 0.00 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1y53 s THR 32 Cb 0.00 -1.65 0.03 0.00 1.34 0.00 0.00 72.50 72.22 1y53 s THR 32 CO 0.00 -0.59 0.03 -0.47 -0.54 0.00 0.00 174.62 173.05 1y53 s TYR 33 N -2.71 0.25 -0.39 3.99 6.14 0.58 -1.01 117.35 124.20 1y53 s TYR 33 Ca 0.12 0.09 -0.04 0.00 0.64 0.00 0.00 57.07 57.88 1y53 s TYR 33 Cb -0.01 -0.51 0.09 0.00 0.42 0.00 0.00 41.96 41.95 1y53 s TYR 33 CO 0.02 -0.19 0.17 -1.17 0.64 0.00 0.00 175.55 175.01 1y53 s LEU 34 N 1.73 4.92 0.27 6.97 2.96 0.31 -1.58 118.68 134.25 1y53 s LEU 34 Ca -0.00 -1.74 -0.29 0.00 -0.22 0.00 0.00 54.13 51.88 1y53 s LEU 34 Cb -0.13 -1.84 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 1y53 s LEU 34 CO -0.03 -0.48 0.95 0.28 -1.32 0.00 0.00 176.35 175.75 1y53 s THR 35 N 1.23 4.08 -0.49 3.68 -1.32 -1.26 -1.46 115.64 120.09 1y53 s THR 35 Ca 0.04 1.98 0.24 0.00 -1.21 0.00 0.00 61.69 62.74 1y53 s THR 35 Cb -0.22 -4.22 0.29 0.00 -1.51 0.00 0.00 72.50 66.84 1y53 s THR 35 CO -0.02 0.39 1.59 0.00 -2.21 0.00 0.00 174.62 174.37 1y53 h ALA 36 N 3.85 0.95 -2.98 11.08 0.00 -1.86 -3.47 119.26 126.84 1y53 h ALA 36 Ca -0.46 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 1y53 h ALA 36 Cb 1.20 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 1y53 h ALA 36 CO 0.67 0.00 -0.71 0.14 0.00 0.00 0.00 179.25 179.35 1y53 s VAL 37 N -3.20 0.35 0.12 0.00 -7.23 -1.26 -5.01 120.40 104.17 1y53 s VAL 37 Ca 0.07 -1.10 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 1y53 s VAL 37 Cb 0.07 -0.58 0.07 0.00 0.56 0.00 0.00 36.38 36.50 1y53 s VAL 37 CO 0.67 -0.50 0.84 0.00 -0.31 0.00 0.00 175.10 175.80 1y53 s ALA 38 N -1.69 -1.63 0.23 1.32 0.00 -1.26 -5.01 121.76 113.71 1y53 s ALA 38 Ca -0.10 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1y53 s ALA 38 Cb -0.08 0.64 0.38 0.00 0.00 0.00 0.00 23.12 24.06 1y53 s ALA 38 CO -0.01 -0.88 1.75 -0.44 0.00 0.00 0.00 175.76 176.18 1y53 h ASP 39 N 2.00 0.35 -3.28 0.00 3.32 -2.02 -3.32 116.42 113.48 1y53 h ASP 39 Ca -0.24 0.08 -0.61 0.00 0.02 0.00 0.00 57.03 56.28 1y53 h ASP 39 Cb 1.25 0.04 -0.40 0.00 0.22 0.00 0.00 39.33 40.44 1y53 h ASP 39 CO 0.29 0.18 -0.75 0.20 -1.72 0.00 0.00 179.24 177.44 1y53 s ASN 40 N -5.42 3.51 0.56 6.45 0.01 -1.26 -5.00 114.94 113.79 1y53 s ASN 40 Ca -0.13 -2.86 0.31 0.00 -0.71 0.00 0.00 52.86 49.48 1y53 s ASN 40 Cb 0.19 -1.03 1.68 0.00 0.41 0.00 0.00 41.25 42.49 1y53 s ASN 40 CO 0.76 -0.23 2.15 1.55 -1.51 0.00 0.00 177.10 179.82 1y53 h PRO 41 N 6.39 0.00 0.00 -0.60 0.13 -1.96 -1.25 132.00 134.71 1y53 h PRO 41 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1y53 h PRO 41 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1y53 h PRO 41 CO 0.50 0.07 0.00 0.78 -0.23 0.00 0.00 178.00 179.12 1y53 h GLY 42 N 0.67 0.00 -0.12 1.56 0.00 -1.94 -2.22 103.07 101.01 1y53 h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y53 h GLY 42 CO 0.01 0.00 -0.36 0.70 0.00 0.00 0.00 176.54 176.89 1y53 n ASN 43 N -2.99 1.32 -4.70 0.19 3.02 -0.47 -4.99 115.26 106.63 1y53 n ASN 43 Ca -0.01 -1.06 -0.44 0.00 -0.03 0.00 0.00 54.58 53.04 1y53 n ASN 43 Cb 0.17 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1y53 n ASN 43 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1y53 n ILE 44 N -0.51 0.01 -4.20 2.41 5.41 -0.84 -4.76 119.36 116.88 1y53 n ILE 44 Ca 0.11 -0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 1y53 n ILE 44 Cb 0.38 -1.83 -0.11 0.00 -0.71 0.00 0.00 39.64 37.38 1y53 n ILE 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1y53 s THR 45 N 1.12 1.02 0.20 1.39 -4.23 -1.26 -5.09 115.64 108.79 1y53 s THR 45 Ca 0.77 -1.79 -0.32 0.00 -1.18 0.00 0.00 61.69 59.16 1y53 s THR 45 Cb -0.57 -1.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.60 1y53 s THR 45 CO 0.34 -0.62 1.43 -0.11 -0.54 0.00 0.00 174.62 175.12 1y53 n LEU 46 N 0.29 2.89 -4.17 4.79 7.94 -1.26 -4.68 117.00 122.81 1y53 n LEU 46 Ca -0.14 1.12 -0.20 0.00 -1.11 0.00 0.00 56.01 55.68 1y53 n LEU 46 Cb 0.59 -1.40 -0.13 0.00 0.53 0.00 0.00 43.42 43.01 1y53 n LEU 46 CO 0.29 -0.53 -0.47 -0.44 -1.11 0.00 0.00 177.39 175.13 1y53 s SER 47 N 0.46 1.81 0.45 1.96 0.01 -0.61 -4.70 113.70 113.07 1y53 s SER 47 Ca 0.73 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 57.25 1y53 s SER 47 Cb -0.69 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 65.34 1y53 s SER 47 CO 0.46 0.01 0.97 -2.16 0.41 0.00 0.00 173.24 172.93 1y53 s PRO 48 N -1.40 4.14 0.13 12.44 0.04 -1.25 -0.30 135.00 148.79 1y53 s PRO 48 Ca 0.01 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.24 1y53 s PRO 48 Cb -0.09 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1y53 s PRO 48 CO 0.02 -0.11 -0.14 -0.48 0.04 0.00 0.00 177.00 176.32 1y53 s LEU 49 N -3.36 2.42 -0.12 -3.56 0.05 -0.57 -1.93 118.68 111.60 1y53 s LEU 49 Ca 0.62 -0.83 -0.06 0.00 0.05 0.00 0.00 54.13 53.91 1y53 s LEU 49 Cb -0.10 -0.57 0.05 0.00 -2.05 0.00 0.00 46.19 43.52 1y53 s LEU 49 CO 0.17 -0.14 0.28 -0.22 -0.55 0.00 0.00 176.35 175.88 1y53 s LEU 50 N -2.53 0.33 0.00 1.48 2.96 -0.55 -2.08 118.68 118.29 1y53 s LEU 50 Ca 0.10 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.55 1y53 s LEU 50 Cb -0.04 0.88 0.03 0.00 0.50 0.00 0.00 46.19 47.55 1y53 s LEU 50 CO 0.03 -0.17 0.46 0.61 -1.32 0.00 0.00 176.35 175.97 1y53 n GLY 51 N 4.17 1.72 2.85 7.98 0.00 -0.23 -1.07 105.19 120.62 1y53 n GLY 51 Ca -0.24 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.31 1y53 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y53 s ILE 52 N -2.51 0.12 0.26 -0.61 1.01 -0.39 -1.23 121.20 117.86 1y53 s ILE 52 Ca 0.14 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.93 1y53 s ILE 52 Cb -0.02 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 1y53 s ILE 52 CO 0.10 0.09 -0.04 0.00 0.00 0.00 0.00 174.94 175.09 1y53 s GLN 53 N 0.54 2.18 0.54 2.79 -2.07 0.40 -1.50 119.66 122.54 1y53 s GLN 53 Ca -0.05 -1.46 -0.18 0.00 -1.82 0.00 0.00 55.36 51.84 1y53 s GLN 53 Cb -0.08 -2.10 -0.06 0.00 -1.09 0.00 0.00 33.01 29.68 1y53 s GLN 53 CO -0.01 0.36 1.06 -1.01 -1.32 0.00 0.00 175.29 174.37 1y53 s HIS 54 N -2.32 2.94 -0.19 9.60 3.76 -0.63 -4.28 115.29 124.17 1y53 s HIS 54 Ca 0.31 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.73 1y53 s HIS 54 Cb -0.06 -3.08 -0.10 0.00 1.11 0.00 0.00 32.58 30.45 1y53 s HIS 54 CO 0.19 -1.05 -0.21 1.63 -0.85 0.00 0.00 174.74 174.45 1y53 n LYS 55 N -1.43 0.45 -0.01 1.40 4.76 -1.26 -4.68 118.16 117.38 1y53 n LYS 55 Ca 0.09 0.15 -0.18 0.00 -2.87 0.00 0.00 58.31 55.50 1y53 n LYS 55 Cb 0.52 -1.30 -0.08 0.00 -1.84 0.00 0.00 35.03 32.34 1y53 n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1y53 h ARG 56 N -0.34 0.77 -6.86 1.97 3.08 -1.98 -3.45 114.38 107.57 1y53 h ARG 56 Ca -0.46 -0.67 -0.53 0.00 0.07 0.00 0.00 59.98 58.39 1y53 h ARG 56 Cb 1.55 0.15 0.08 0.00 0.08 0.00 0.00 29.97 31.83 1y53 h ARG 56 CO -0.18 1.27 0.73 0.00 -1.07 0.00 0.00 179.97 180.72 1y53 s ALA 57 N -3.66 3.57 0.33 0.04 0.00 -1.26 -4.92 121.76 115.86 1y53 s ALA 57 Ca -0.10 1.40 0.14 0.00 0.00 0.00 0.00 51.96 53.40 1y53 s ALA 57 Cb 0.08 -3.55 0.69 0.00 0.00 0.00 0.00 23.12 20.33 1y53 s ALA 57 CO 0.91 -0.82 1.79 0.66 0.00 0.00 0.00 175.76 178.29 1y53 h SER 58 N 3.79 0.00 -2.47 0.00 4.64 -1.95 -3.33 113.55 114.23 1y53 h SER 58 Ca -0.49 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.23 1y53 h SER 58 Cb 1.23 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 1y53 h SER 58 CO 0.69 0.41 -0.67 0.00 -0.87 0.00 0.00 176.83 176.39 1y53 n GLN 59 N -3.93 1.94 -2.34 4.77 6.02 -1.26 -1.98 117.38 120.59 1y53 n GLN 59 Ca -0.02 -4.35 -0.36 0.00 -0.01 0.00 0.00 57.00 52.27 1y53 n GLN 59 Cb 0.45 -2.11 -0.01 0.00 1.02 0.00 0.00 30.24 29.59 1y53 n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1y53 s PRO 60 N -1.83 3.66 0.59 -1.09 0.04 -1.25 -4.61 135.00 130.51 1y53 s PRO 60 Ca 0.34 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 1y53 s PRO 60 Cb 0.08 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1y53 s PRO 60 CO -0.09 -0.60 0.95 0.99 0.04 0.00 0.00 177.00 178.30 1y53 s THR 61 N -1.71 4.35 0.24 1.26 2.01 -1.26 -1.56 115.64 118.97 1y53 s THR 61 Ca 0.67 0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.91 1y53 s THR 61 Cb -0.24 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.58 1y53 s THR 61 CO 0.29 -0.85 0.69 0.72 -0.69 0.00 0.00 174.62 174.78 1y53 s PHE 62 N -3.06 -0.30 0.06 4.92 -0.12 -0.51 -1.60 117.98 117.37 1y53 s PHE 62 Ca 0.53 -0.08 -0.07 0.00 -0.05 0.00 0.00 56.93 57.26 1y53 s PHE 62 Cb -0.11 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1y53 s PHE 62 CO 0.49 -1.11 0.14 0.20 -0.05 0.00 0.00 175.22 174.90 1y53 s GLY 63 N -2.87 0.13 0.09 1.99 0.00 -0.56 -2.02 107.32 104.08 1y53 s GLY 63 Ca 0.08 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 44.08 1y53 s GLY 63 CO 0.01 -0.71 0.41 -0.11 0.00 0.00 0.00 173.10 172.70 1y53 s PHE 64 N -3.11 -0.24 -0.10 1.90 -0.12 -0.23 -1.26 117.98 114.82 1y53 s PHE 64 Ca -0.01 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 1y53 s PHE 64 Cb 0.02 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.63 1y53 s PHE 64 CO -0.07 -0.65 -0.09 0.99 -0.05 0.00 0.00 175.22 175.35 1y53 s THR 65 N -3.24 3.44 -0.25 -4.49 2.01 -0.23 -0.96 115.64 111.93 1y53 s THR 65 Ca -0.01 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1y53 s THR 65 Cb 0.01 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1y53 s THR 65 CO -0.08 0.55 0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 1y53 s VAL 66 N -0.21 3.72 -0.56 3.82 1.01 0.54 -1.48 120.40 127.24 1y53 s VAL 66 Ca 0.02 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1y53 s VAL 66 Cb -0.13 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1y53 s VAL 66 CO 0.03 0.32 0.81 -2.28 0.00 0.00 0.00 175.10 173.97 1y53 s HIS 67 N 1.51 2.88 0.13 5.22 5.65 -0.82 -2.09 115.29 127.78 1y53 s HIS 67 Ca 0.05 -0.40 -0.31 0.00 0.25 0.00 0.00 55.06 54.64 1y53 s HIS 67 Cb -0.15 -3.92 -0.09 0.00 -1.18 0.00 0.00 32.58 27.24 1y53 s HIS 67 CO -0.00 -1.29 1.55 -1.58 -0.65 0.00 0.00 174.74 172.77 1y53 s TRP 68 N 3.37 2.96 -2.32 3.88 0.52 -1.23 -3.87 118.94 122.25 1y53 s TRP 68 Ca 0.21 0.62 0.28 0.00 0.02 0.00 0.00 56.10 57.23 1y53 s TRP 68 Cb -0.17 -3.89 1.24 0.00 -1.15 0.00 0.00 33.47 29.50 1y53 s TRP 68 CO 0.13 -3.33 1.84 0.09 0.02 0.00 0.00 176.95 175.71 1y53 n ASN 69 N 4.32 1.05 0.00 2.95 4.13 -1.26 -3.78 115.26 122.67 1y53 n ASN 69 Ca 0.14 -1.39 0.00 0.00 1.68 0.00 0.00 54.58 55.01 1y53 n ASN 69 Cb 0.40 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 1y53 n ASN 69 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1y53 n PHE 70 N -0.16 0.00 -4.02 3.10 -1.74 -1.26 -4.99 117.46 108.39 1y53 n PHE 70 Ca 0.20 -0.25 -0.13 0.00 -0.56 0.00 0.00 57.45 56.70 1y53 n PHE 70 Cb 0.27 -0.02 -0.02 0.00 1.52 0.00 0.00 39.48 41.22 1y53 n PHE 70 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1y53 s SER 71 N -0.50 0.73 0.00 5.98 1.04 -1.25 -4.97 113.70 114.73 1y53 s SER 71 Ca 0.00 -1.42 0.20 0.00 0.48 0.00 0.00 55.95 55.21 1y53 s SER 71 Cb 0.00 0.71 0.61 0.00 0.10 0.00 0.00 66.02 67.44 1y53 s SER 71 CO 0.00 -1.40 1.47 -0.62 0.98 0.00 0.00 173.24 173.67 1y53 n GLU 72 N -0.56 1.92 -2.54 4.02 -0.58 -1.26 -4.74 120.64 116.90 1y53 n GLU 72 Ca -0.01 -1.40 -0.26 0.00 -0.42 0.00 0.00 57.16 55.07 1y53 n GLU 72 Cb 0.61 -1.40 0.02 0.00 -0.57 0.00 0.00 31.44 30.10 1y53 n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1y53 s SER 73 N -1.44 5.69 0.00 1.62 0.01 -1.26 -4.34 113.70 113.98 1y53 s SER 73 Ca 0.33 0.63 0.01 0.00 1.31 0.00 0.00 55.95 58.22 1y53 s SER 73 Cb 0.18 -1.69 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 1y53 s SER 73 CO 0.26 -0.95 -0.03 -0.89 0.41 0.00 0.00 173.24 172.03 1y53 s THR 74 N -2.88 0.24 -0.01 1.44 2.01 -0.47 -3.53 115.64 112.45 1y53 s THR 74 Ca 0.52 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.31 1y53 s THR 74 Cb -0.10 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1y53 s THR 74 CO 0.43 -0.03 -0.26 -0.89 -0.69 0.00 0.00 174.62 173.18 1y53 s THR 75 N -0.33 2.04 -0.01 -0.82 2.01 -0.89 -0.37 115.64 117.28 1y53 s THR 75 Ca -0.02 -1.16 0.06 0.00 0.31 0.00 0.00 61.69 60.89 1y53 s THR 75 Cb -0.03 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1y53 s THR 75 CO -0.00 0.52 -0.19 0.68 -0.69 0.00 0.00 174.62 174.94 1y53 s VAL 76 N -0.65 2.65 -0.01 3.82 -7.23 -0.26 -0.34 120.40 118.39 1y53 s VAL 76 Ca 0.10 -1.02 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 1y53 s VAL 76 Cb -0.10 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1y53 s VAL 76 CO -0.00 0.49 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.67 1y53 s PHE 77 N -0.77 2.37 0.02 2.82 0.40 -0.13 -1.24 117.98 121.45 1y53 s PHE 77 Ca 0.12 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1y53 s PHE 77 Cb -0.10 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1y53 s PHE 77 CO 0.02 0.02 -0.03 -0.08 0.70 0.00 0.00 175.22 175.85 1y53 s THR 78 N -0.67 0.12 -0.23 0.64 -1.32 -0.33 -1.07 115.64 112.78 1y53 s THR 78 Ca 0.11 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1y53 s THR 78 Cb -0.10 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1y53 s THR 78 CO -0.00 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 1y53 n GLY 79 N 1.53 -0.59 2.91 6.08 0.00 -0.86 -1.16 105.19 113.10 1y53 n GLY 79 Ca -0.24 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1y53 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y53 s GLN 80 N -0.09 0.13 -0.25 1.61 0.74 -0.77 -1.42 119.66 119.61 1y53 s GLN 80 Ca 0.00 -0.22 -0.16 0.00 0.05 0.00 0.00 55.36 55.03 1y53 s GLN 80 Cb 0.00 0.01 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 1y53 s GLN 80 CO 0.00 -0.01 0.44 0.00 -0.55 0.00 0.00 175.29 175.18 1y53 s PHE 82 N 2.03 3.15 -0.21 0.00 0.08 -0.11 -3.87 117.98 119.05 1y53 s PHE 82 Ca 0.19 0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 1y53 s PHE 82 Cb -0.16 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1y53 s PHE 82 CO 0.09 0.49 -0.08 0.42 -0.10 0.00 0.00 175.22 176.04 1y53 s ILE 83 N -1.10 2.98 1.07 0.64 1.01 -1.26 -1.52 121.20 123.02 1y53 s ILE 83 Ca 0.20 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 1y53 s ILE 83 Cb -0.12 -2.36 0.14 0.00 0.01 0.00 0.00 42.46 40.13 1y53 s ILE 83 CO 0.10 0.42 0.50 0.47 0.00 0.00 0.00 174.94 176.44 1y53 n ASP 84 N 4.74 -1.79 0.32 3.58 10.43 -0.04 -4.87 116.55 128.91 1y53 n ASP 84 Ca -0.19 0.05 0.20 0.00 2.57 0.00 0.00 54.79 57.42 1y53 n ASP 84 Cb 0.50 -1.16 1.05 0.00 1.84 0.00 0.00 41.12 43.35 1y53 n ASP 84 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1y53 h ARG 85 N -2.08 0.00 -0.35 -1.24 0.11 -2.00 -1.77 114.38 107.05 1y53 h ARG 85 Ca -0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1y53 h ARG 85 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1y53 h ARG 85 CO 0.40 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.58 1y53 n ASN 86 N -3.26 3.03 0.00 0.08 5.03 -1.26 -4.96 115.26 113.92 1y53 n ASN 86 Ca -0.02 -1.93 0.00 0.00 0.87 0.00 0.00 54.58 53.49 1y53 n ASN 86 Cb 0.12 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1y53 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y53 n GLY 87 N 1.42 0.69 3.75 7.41 0.00 -0.67 -5.04 105.19 112.75 1y53 n GLY 87 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1y53 n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y53 s LYS 88 N -0.20 4.73 -0.13 1.61 2.20 -1.26 -4.73 119.74 121.96 1y53 s LYS 88 Ca 0.00 1.59 -0.05 0.00 -0.36 0.00 0.00 55.97 57.15 1y53 s LYS 88 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1y53 s LYS 88 CO 0.00 0.31 0.07 -1.21 -0.36 0.00 0.00 175.35 174.17 1y53 s GLU 89 N -0.85 3.45 -0.03 4.03 2.02 -1.26 -0.86 118.70 125.19 1y53 s GLU 89 Ca 0.44 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.18 1y53 s GLU 89 Cb -0.27 -3.07 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1y53 s GLU 89 CO 0.34 0.61 -0.09 0.08 0.02 0.00 0.00 175.26 176.22 1y53 s VAL 90 N -0.57 0.78 -0.28 2.63 1.01 -0.58 -4.43 120.40 118.96 1y53 s VAL 90 Ca 0.11 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1y53 s VAL 90 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1y53 s VAL 90 CO 0.02 0.25 0.32 -0.76 0.00 0.00 0.00 175.10 174.93 1y53 s LEU 91 N 0.30 4.06 -0.27 3.92 1.43 -0.13 -0.93 118.68 127.07 1y53 s LEU 91 Ca -0.05 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 1y53 s LEU 91 Cb -0.10 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1y53 s LEU 91 CO 0.01 -0.16 0.26 -0.54 0.23 0.00 0.00 176.35 176.14 1y53 s LYS 92 N 1.98 4.00 0.11 1.70 -0.14 -0.73 -0.77 119.74 125.89 1y53 s LYS 92 Ca 0.13 -0.17 0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1y53 s LYS 92 Cb -0.16 -3.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.32 1y53 s LYS 92 CO 0.10 -0.17 -0.11 0.95 -0.76 0.00 0.00 175.35 175.37 1y53 s THR 93 N 1.73 1.03 0.18 2.17 -4.23 -0.40 -1.84 115.64 114.29 1y53 s THR 93 Ca 0.10 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.01 1y53 s THR 93 Cb -0.16 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1y53 s THR 93 CO 0.10 -0.55 -0.18 -0.04 -0.54 0.00 0.00 174.62 173.41 1y53 s MET 94 N -2.84 1.31 0.05 3.99 -1.94 -0.31 -1.60 119.30 117.96 1y53 s MET 94 Ca 0.07 -1.47 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 1y53 s MET 94 Cb -0.03 -1.32 -0.03 0.00 2.01 0.00 0.00 34.83 35.46 1y53 s MET 94 CO 0.01 0.26 -0.04 1.67 -0.01 0.00 0.00 175.02 176.90 1y53 s TRP 95 N -2.27 0.52 -0.09 -0.03 1.48 -0.33 -1.18 118.94 117.04 1y53 s TRP 95 Ca 0.18 -0.83 0.03 0.00 -1.06 0.00 0.00 56.10 54.42 1y53 s TRP 95 Cb -0.05 -0.35 0.00 0.00 -1.16 0.00 0.00 33.47 31.91 1y53 s TRP 95 CO 0.07 -0.26 -0.20 -0.51 -4.06 0.00 0.00 176.95 171.99 1y53 s LEU 96 N -2.38 1.95 -0.29 -4.66 1.43 -0.37 -1.99 118.68 112.37 1y53 s LEU 96 Ca -0.01 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1y53 s LEU 96 Cb 0.01 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 45.02 1y53 s LEU 96 CO -0.05 0.12 0.04 -0.22 0.23 0.00 0.00 176.35 176.47 1y53 s LEU 97 N 0.45 3.81 -0.27 1.79 2.96 0.12 -1.10 118.68 126.43 1y53 s LEU 97 Ca -0.17 -0.93 -0.13 0.00 -0.22 0.00 0.00 54.13 52.68 1y53 s LEU 97 Cb -0.17 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1y53 s LEU 97 CO 0.07 -0.22 0.27 -0.60 -1.32 0.00 0.00 176.35 174.55 1y53 s ARG 98 N 1.40 3.98 0.31 1.98 6.06 0.50 -1.04 118.95 132.14 1y53 s ARG 98 Ca -0.00 -0.17 -0.06 0.00 -2.50 0.00 0.00 55.73 53.00 1y53 s ARG 98 Cb -0.18 -3.66 -0.05 0.00 0.06 0.00 0.00 34.95 31.12 1y53 s ARG 98 CO 0.00 -0.21 0.60 -1.12 -2.50 0.00 0.00 175.30 172.07 1y53 s SER 99 N 1.69 6.46 -0.12 -2.12 0.01 0.14 -1.37 113.70 118.40 1y53 s SER 99 Ca 0.10 0.81 -0.27 0.00 1.31 0.00 0.00 55.95 57.90 1y53 s SER 99 Cb -0.16 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1y53 s SER 99 CO 0.10 -0.24 0.89 -0.55 0.41 0.00 0.00 173.24 173.85 1y53 s SER 100 N -3.16 7.10 0.34 2.44 0.15 -1.26 -4.86 113.70 114.45 1y53 s SER 100 Ca 0.46 1.34 0.09 0.00 0.70 0.00 0.00 55.95 58.54 1y53 s SER 100 Cb -0.11 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1y53 s SER 100 CO 0.30 -0.37 0.03 0.68 1.20 0.00 0.00 173.24 175.08 1y53 s VAL 101 N 1.82 2.66 0.19 4.45 -7.23 -1.26 -5.06 120.40 115.97 1y53 s VAL 101 Ca 0.43 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1y53 s VAL 101 Cb -0.18 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1y53 s VAL 101 CO 0.16 -0.20 1.57 0.78 -0.31 0.00 0.00 175.10 177.11 1y53 h ASN 102 N 1.78 0.83 -5.05 4.85 2.35 -1.97 -3.47 115.58 114.90 1y53 h ASN 102 Ca -0.43 -0.34 0.03 0.00 -0.55 0.00 0.00 56.30 55.01 1y53 h ASN 102 Cb 1.25 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 1y53 h ASN 102 CO 0.67 1.07 0.29 1.51 -1.65 0.00 0.00 177.43 179.32 1y53 s ASP 103 N -6.80 -0.09 0.59 5.81 1.47 -1.26 -5.05 116.67 111.34 1y53 s ASP 103 Ca -0.10 -0.91 0.35 0.00 1.18 0.00 0.00 52.55 53.07 1y53 s ASP 103 Cb 0.12 0.77 1.82 0.00 -0.34 0.00 0.00 42.92 45.29 1y53 s ASP 103 CO 0.85 -1.50 2.18 -0.29 0.68 0.00 0.00 175.17 177.09 1y53 h ILE 104 N 2.00 0.26 0.00 2.11 2.10 -2.02 -1.82 117.51 120.14 1y53 h ILE 104 Ca -0.27 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.38 1y53 h ILE 104 Cb 1.25 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 1y53 h ILE 104 CO 0.34 0.04 0.00 0.77 -1.08 0.00 0.00 178.15 178.22 1y53 h SER 105 N 0.00 0.00 -0.12 2.19 4.64 -2.00 -2.07 113.55 116.19 1y53 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y53 h SER 105 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1y53 h SER 105 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1y53 n TYR 106 N -3.06 0.13 -0.08 4.77 4.01 -0.69 -4.61 117.16 117.63 1y53 n TYR 106 Ca -0.01 -0.06 0.06 0.00 -0.16 0.00 0.00 57.90 57.73 1y53 n TYR 106 Cb 0.20 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.65 1y53 n TYR 106 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1y53 h ASP 107 N 4.39 0.52 -0.83 7.72 3.58 -1.45 -2.52 116.42 127.82 1y53 h ASP 107 Ca 0.00 -0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.66 1y53 h ASP 107 Cb 0.94 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.83 1y53 h ASP 107 CO 0.00 0.35 0.57 4.11 -2.88 0.00 0.00 179.24 181.39 1y53 h TRP 108 N 0.60 0.26 -0.59 0.28 5.08 -1.81 -1.99 115.95 117.78 1y53 h TRP 108 Ca 0.23 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.21 1y53 h TRP 108 Cb 0.18 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 1y53 h TRP 108 CO -0.00 0.07 0.00 0.36 -1.28 0.00 0.00 178.44 177.59 1y53 n LYS 109 N -4.40 2.59 0.00 0.12 2.85 -0.95 -4.60 118.16 113.76 1y53 n LYS 109 Ca 0.17 -2.44 0.13 0.00 -1.05 0.00 0.00 58.31 55.12 1y53 n LYS 109 Cb 0.76 -1.54 0.45 0.00 -0.65 0.00 0.00 35.03 34.06 1y53 n LYS 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1y53 n ALA 110 N 1.54 2.87 -3.98 0.58 0.00 -0.75 -4.84 120.51 115.93 1y53 n ALA 110 Ca 0.22 -0.41 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1y53 n ALA 110 Cb 0.60 -1.16 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 1y53 n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1y53 s THR 111 N -2.32 1.47 0.13 0.00 2.01 -1.26 -0.69 115.64 114.99 1y53 s THR 111 Ca 0.30 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1y53 s THR 111 Cb 0.20 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1y53 s THR 111 CO 0.45 0.29 0.28 -0.13 -0.69 0.00 0.00 174.62 174.82 1y53 s ARG 112 N 1.50 3.45 0.09 4.92 0.52 -0.21 -4.94 118.95 124.29 1y53 s ARG 112 Ca 0.02 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1y53 s ARG 112 Cb -0.14 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1y53 s ARG 112 CO -0.09 0.53 -0.16 0.54 0.02 0.00 0.00 175.30 176.14 1y53 s VAL 113 N -1.70 1.31 0.02 3.52 0.11 -1.26 -0.70 120.40 121.69 1y53 s VAL 113 Ca 0.35 -1.47 -0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1y53 s VAL 113 Cb -0.12 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 1y53 s VAL 113 CO 0.28 -0.24 0.10 0.61 -3.33 0.00 0.00 175.10 172.53 1y53 n GLY 114 N 1.03 1.17 3.18 6.54 0.00 -0.84 -5.00 105.19 111.26 1y53 n GLY 114 Ca -0.19 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1y53 n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y53 s TYR 115 N -5.36 0.92 -0.18 1.61 -0.85 -1.26 -1.18 117.35 111.04 1y53 s TYR 115 Ca 0.02 -0.97 -0.21 0.00 -0.52 0.00 0.00 57.07 55.39 1y53 s TYR 115 Cb -0.00 -0.54 0.06 0.00 0.38 0.00 0.00 41.96 41.86 1y53 s TYR 115 CO 0.00 -0.20 0.58 -0.80 -1.52 0.00 0.00 175.55 173.61 1y53 s ASN 116 N -3.06 -0.59 -0.12 -0.18 0.02 -0.63 -4.94 114.94 105.45 1y53 s ASN 116 Ca 0.15 1.04 -0.03 0.00 -1.02 0.00 0.00 52.86 53.00 1y53 s ASN 116 Cb 0.06 1.05 -0.03 0.00 0.02 0.00 0.00 41.25 42.34 1y53 s ASN 116 CO -0.03 -0.28 -0.01 0.20 0.02 0.00 0.00 177.10 177.00 1y53 s ASN 117 N -0.02 5.07 0.03 -1.22 0.01 -1.26 -1.27 114.94 116.28 1y53 s ASN 117 Ca -0.03 0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.23 1y53 s ASN 117 Cb -0.04 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.99 1y53 s ASN 117 CO 0.02 0.28 -0.24 -0.36 -1.51 0.00 0.00 177.10 175.30 1y53 s PHE 118 N -0.31 2.41 0.19 2.20 0.08 0.05 -2.04 117.98 120.56 1y53 s PHE 118 Ca 0.06 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.79 1y53 s PHE 118 Cb -0.12 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 1y53 s PHE 118 CO 0.02 0.14 -0.06 0.95 -0.10 0.00 0.00 175.22 176.17 1y53 s THR 119 N -0.80 1.15 0.42 0.64 -4.23 -0.42 -0.95 115.64 111.44 1y53 s THR 119 Ca 0.12 -2.06 -0.25 0.00 -1.18 0.00 0.00 61.69 58.33 1y53 s THR 119 Cb -0.10 -2.08 -0.08 0.00 1.34 0.00 0.00 72.50 71.57 1y53 s THR 119 CO 0.02 -0.55 1.20 -0.13 -0.54 0.00 0.00 174.62 174.63 1y53 s ARG 120 N -3.79 3.94 0.08 3.99 0.52 -1.26 -1.11 118.95 121.31 1y53 s ARG 120 Ca 0.22 1.90 -0.25 0.00 -0.52 0.00 0.00 55.73 57.08 1y53 s ARG 120 Cb 0.04 -2.62 -0.16 0.00 0.52 0.00 0.00 34.95 32.73 1y53 s ARG 120 CO 0.05 -0.44 1.67 1.25 0.02 0.00 0.00 175.30 177.85 1y53 h LEU 121 N 2.47 -0.12 -0.97 2.53 5.85 -1.46 -3.44 115.31 120.17 1y53 h LEU 121 Ca -0.49 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1y53 h LEU 121 Cb 1.24 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1y53 h LEU 121 CO 0.62 -0.04 0.00 -0.24 -0.34 0.00 0.00 178.44 178.44