#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yux s SER 2 N 0.00 0.02 0.72 1.61 1.04 -1.26 -5.17 113.70 110.66 2yux s SER 2 Ca 0.00 -1.07 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 2yux s SER 2 Cb 0.00 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.71 2yux s SER 2 CO 0.00 -1.08 1.07 -0.44 0.98 0.00 0.00 173.24 173.77 2yux s SER 3 N -3.06 4.97 0.20 7.02 0.01 -1.26 -5.10 113.70 116.48 2yux s SER 3 Ca 0.27 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2yux s SER 3 Cb 0.01 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.80 2yux s SER 3 CO 0.10 -1.56 0.00 0.61 0.41 0.00 0.00 173.24 172.80 2yux n GLY 4 N -3.02 1.19 3.88 3.44 0.00 -1.26 -5.13 105.19 104.29 2yux n GLY 4 Ca 0.07 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 2yux n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yux s SER 5 N -1.00 5.14 0.60 1.61 0.15 -1.26 -5.10 113.70 113.85 2yux s SER 5 Ca 0.00 -0.67 -0.18 0.00 0.70 0.00 0.00 55.95 55.80 2yux s SER 5 Cb 0.00 -0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 63.62 2yux s SER 5 CO 0.00 -0.60 1.17 -0.94 1.20 0.00 0.00 173.24 174.07 2yux s SER 6 N -4.12 5.24 -0.30 5.45 1.04 -1.26 -5.03 113.70 114.72 2yux s SER 6 Ca 0.47 2.28 -0.14 0.00 0.48 0.00 0.00 55.95 59.04 2yux s SER 6 Cb -0.04 -2.59 0.18 0.00 0.10 0.00 0.00 66.02 63.67 2yux s SER 6 CO 0.28 -1.55 1.09 -0.83 0.98 0.00 0.00 173.24 173.21 2yux s GLY 7 N -1.81 -0.42 -0.36 7.32 0.00 -1.26 -5.12 107.32 105.67 2yux s GLY 7 Ca 0.74 2.71 0.01 0.00 0.00 0.00 0.00 44.72 48.18 2yux s GLY 7 CO 0.33 3.92 0.09 0.00 0.00 0.00 0.00 173.10 177.45 2yux s ALA 8 N 2.96 2.96 -0.30 3.20 0.00 -1.26 -5.04 121.76 124.29 2yux s ALA 8 Ca 0.04 -2.44 -0.23 0.00 0.00 0.00 0.00 51.96 49.33 2yux s ALA 8 Cb -0.08 -2.10 0.19 0.00 0.00 0.00 0.00 23.12 21.13 2yux s ALA 8 CO -0.13 -1.67 1.36 0.45 0.00 0.00 0.00 175.76 175.77 2yux s SER 9 N 1.26 -0.10 -0.66 0.00 0.15 -1.26 -5.11 113.70 107.99 2yux s SER 9 Ca 0.08 0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.70 2yux s SER 9 Cb -0.20 0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.60 2yux s SER 9 CO -0.06 -0.03 0.92 0.27 1.20 0.00 0.00 173.24 175.54 2yux s ILE 10 N 0.32 4.47 0.16 6.45 -4.36 -1.26 -4.98 121.20 122.00 2yux s ILE 10 Ca 0.03 -0.60 -0.04 0.00 -0.26 0.00 0.00 60.65 59.77 2yux s ILE 10 Cb -0.04 -4.65 -0.03 0.00 1.25 0.00 0.00 42.46 38.99 2yux s ILE 10 CO -0.14 -1.39 0.17 -1.81 0.24 0.00 0.00 174.94 172.02 2yux s ASP 11 N 3.67 0.17 -0.23 4.36 1.01 -1.26 -4.99 116.67 119.40 2yux s ASP 11 Ca 0.20 -1.10 -0.21 0.00 0.71 0.00 0.00 52.55 52.16 2yux s ASP 11 Cb -0.18 0.37 0.03 0.00 1.01 0.00 0.00 42.92 44.16 2yux s ASP 11 CO 0.08 -0.82 0.35 -0.38 0.21 0.00 0.00 175.17 174.60 2yux n ILE 12 N -0.18 -2.78 -3.56 0.77 5.41 -1.26 -4.89 119.36 112.87 2yux n ILE 12 Ca -0.05 0.24 -0.37 0.00 1.00 0.00 0.00 62.75 63.57 2yux n ILE 12 Cb 0.64 -3.01 -0.07 0.00 -0.71 0.00 0.00 39.64 36.49 2yux n ILE 12 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2yux s GLN 13 N -1.67 4.15 -0.64 0.38 -0.21 -1.26 -5.04 119.66 115.37 2yux s GLN 13 Ca 0.20 0.11 -0.07 0.00 0.02 0.00 0.00 55.36 55.62 2yux s GLN 13 Cb -0.02 -3.39 0.17 0.00 1.00 0.00 0.00 33.01 30.77 2yux s GLN 13 CO 0.46 0.33 0.50 0.42 -2.12 0.00 0.00 175.29 174.88 2yux s ILE 14 N 0.19 4.29 1.05 1.08 1.01 -1.26 -5.07 121.20 122.48 2yux s ILE 14 Ca 0.17 -2.60 -0.14 0.00 0.00 0.00 0.00 60.65 58.08 2yux s ILE 14 Cb -0.13 -3.76 0.20 0.00 0.01 0.00 0.00 42.46 38.78 2yux s ILE 14 CO 0.05 -0.89 0.42 2.30 0.00 0.00 0.00 174.94 176.81 2yux n ILE 15 N 3.90 0.00 0.00 2.92 -0.00 -1.26 -4.83 119.36 120.09 2yux n ILE 15 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 2yux n ILE 15 Cb 0.41 -0.55 0.00 0.00 -0.00 0.00 0.00 39.64 39.50 2yux n ILE 15 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2yux n ASP 16 N -1.79 0.00 -4.48 7.28 -0.08 -1.26 -4.91 116.55 111.30 2yux n ASP 16 Ca 0.07 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.99 2yux n ASP 16 Cb 0.36 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.89 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yux n ARG 17 N -1.56 0.35 -1.54 -0.67 3.00 -1.26 -4.76 116.66 110.21 2yux n ARG 17 Ca 0.00 0.16 -0.29 0.00 -0.01 0.00 0.00 57.85 57.70 2yux n ARG 17 Cb 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 32.46 30.71 2yux n ARG 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yux s PRO 18 N -2.75 1.65 0.31 5.56 0.04 -1.26 -5.08 135.00 133.47 2yux s PRO 18 Ca 0.67 0.48 0.03 0.00 0.04 0.00 0.00 61.00 62.21 2yux s PRO 18 Cb -0.36 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.36 2yux s PRO 18 CO 0.57 -1.89 0.42 0.41 0.04 0.00 0.00 177.00 176.55 2yux n GLY 19 N -2.15 1.47 3.78 0.56 0.00 -1.26 -4.76 105.19 102.83 2yux n GLY 19 Ca 0.07 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 2yux n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yux s PRO 20 N -3.43 0.43 0.32 1.61 0.04 -1.26 -4.28 135.00 128.43 2yux s PRO 20 Ca 0.30 0.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.09 2yux s PRO 20 Cb -0.02 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2yux s PRO 20 CO 0.20 -2.62 1.07 -1.25 0.04 0.00 0.00 177.00 174.43 2yux s PRO 21 N -5.47 4.48 0.23 0.56 0.04 -1.26 -4.83 135.00 128.75 2yux s PRO 21 Ca 0.68 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 2yux s PRO 21 Cb -0.11 -2.97 0.23 0.00 0.04 0.00 0.00 34.50 31.70 2yux s PRO 21 CO 0.54 0.11 1.54 1.04 0.04 0.00 0.00 177.00 180.26 2yux n GLN 22 N 0.76 -0.24 -3.65 4.56 6.02 -1.24 -4.69 117.38 118.90 2yux n GLN 22 Ca 0.01 1.53 -0.10 0.00 -0.01 0.00 0.00 57.00 58.42 2yux n GLN 22 Cb 0.47 -2.26 -0.04 0.00 1.02 0.00 0.00 30.24 29.42 2yux n GLN 22 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2yux s ILE 23 N -5.92 0.05 -0.11 5.09 -1.16 -1.26 -4.97 121.20 112.91 2yux s ILE 23 Ca -0.14 -0.59 -0.03 0.00 -0.51 0.00 0.00 60.65 59.38 2yux s ILE 23 Cb 0.20 -1.28 0.04 0.00 0.61 0.00 0.00 42.46 42.03 2yux s ILE 23 CO 0.71 -0.23 0.04 -0.69 -2.81 0.00 0.00 174.94 171.96 2yux s VAL 24 N -3.82 0.21 0.43 4.00 1.01 -1.26 -0.55 120.40 120.41 2yux s VAL 24 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2yux s VAL 24 Cb 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2yux s VAL 24 CO -0.09 0.02 0.04 -0.54 0.00 0.00 0.00 175.10 174.52 2yux s LYS 25 N 2.02 1.97 -0.35 2.72 1.02 0.54 -4.29 119.74 123.38 2yux s LYS 25 Ca 0.03 -2.18 0.02 0.00 0.02 0.00 0.00 55.97 53.86 2yux s LYS 25 Cb -0.14 -1.26 0.10 0.00 -0.52 0.00 0.00 37.83 36.00 2yux s LYS 25 CO -0.06 -0.26 0.07 0.42 -0.92 0.00 0.00 175.35 174.60 2yux s ILE 26 N -2.97 2.54 0.32 2.17 1.01 -1.26 0.19 121.20 123.20 2yux s ILE 26 Ca 0.23 -2.18 0.11 0.00 0.00 0.00 0.00 60.65 58.82 2yux s ILE 26 Cb 0.06 -2.79 0.36 0.00 0.01 0.00 0.00 42.46 40.10 2yux s ILE 26 CO 0.12 -0.55 1.48 -0.62 0.00 0.00 0.00 174.94 175.36 2yux n GLU 27 N 4.36 -0.07 0.00 2.79 -0.58 0.17 -4.77 120.64 122.55 2yux n GLU 27 Ca 0.00 1.35 0.00 0.00 -0.42 0.00 0.00 57.16 58.09 2yux n GLU 27 Cb 0.42 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 2yux n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2yux n ASP 28 N -5.25 0.00 -3.73 1.62 -0.08 -1.13 -4.98 116.55 103.00 2yux n ASP 28 Ca 0.29 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.38 2yux n ASP 28 Cb 0.98 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 44.26 2yux n ASP 28 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yux s VAL 29 N -2.00 0.04 0.04 5.18 0.11 -1.26 0.16 120.40 122.68 2yux s VAL 29 Ca 0.00 0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2yux s VAL 29 Cb 0.00 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 2yux s VAL 29 CO 0.00 0.18 -0.11 -1.66 -3.33 0.00 0.00 175.10 170.18 2yux s TRP 30 N 1.82 0.91 0.00 1.54 -2.14 0.14 -4.81 118.94 116.40 2yux s TRP 30 Ca 0.01 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.36 2yux s TRP 30 Cb -0.12 -0.54 0.00 0.00 -3.10 0.00 0.00 33.47 29.71 2yux s TRP 30 CO -0.03 -0.01 0.00 0.41 -2.66 0.00 0.00 176.95 174.66 2yux n GLY 31 N 1.69 1.99 1.91 3.67 0.00 -0.88 0.58 105.19 114.15 2yux n GLY 31 Ca -0.20 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2yux n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yux n GLU 32 N 12.53 2.55 -3.87 1.61 1.02 -1.26 -4.14 120.64 129.08 2yux n GLU 32 Ca 0.00 -3.39 -0.20 0.00 -0.02 0.00 0.00 57.16 53.54 2yux n GLU 32 Cb 0.00 -2.13 -0.17 0.00 -0.02 0.00 0.00 31.44 29.12 2yux n GLU 32 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2yux s ASN 33 N -2.30 1.08 0.02 1.62 0.01 0.20 -3.85 114.94 111.70 2yux s ASN 33 Ca 0.55 -0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.67 2yux s ASN 33 Cb 0.45 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.74 2yux s ASN 33 CO 0.02 -0.15 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.75 2yux s VAL 34 N 1.54 3.97 -0.22 1.60 1.01 -1.03 -0.68 120.40 126.59 2yux s VAL 34 Ca -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2yux s VAL 34 Cb -0.13 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2yux s VAL 34 CO -0.03 0.33 -0.03 0.00 0.00 0.00 0.00 175.10 175.37 2yux s ALA 35 N -1.10 2.85 0.11 5.51 0.00 0.43 -0.42 121.76 129.14 2yux s ALA 35 Ca 0.20 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2yux s ALA 35 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2yux s ALA 35 CO 0.11 -0.40 0.13 -0.51 0.00 0.00 0.00 175.76 175.09 2yux s LEU 36 N 1.43 3.90 -0.24 0.00 1.43 -1.19 0.45 118.68 124.47 2yux s LEU 36 Ca 0.05 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2yux s LEU 36 Cb -0.14 -2.54 0.13 0.00 0.03 0.00 0.00 46.19 43.66 2yux s LEU 36 CO -0.02 0.13 0.33 0.42 0.23 0.00 0.00 176.35 177.43 2yux s THR 37 N -1.55 -0.50 0.15 5.49 -4.23 0.50 -3.87 115.64 111.63 2yux s THR 37 Ca 0.31 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.74 2yux s THR 37 Cb -0.11 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2yux s THR 37 CO 0.24 -0.21 -0.16 -1.66 -0.54 0.00 0.00 174.62 172.28 2yux s TRP 38 N 2.46 2.53 0.43 3.99 -2.14 -1.12 0.20 118.94 125.29 2yux s TRP 38 Ca 0.10 -0.27 -0.02 0.00 2.66 0.00 0.00 56.10 58.58 2yux s TRP 38 Cb -0.15 -1.29 -0.02 0.00 -3.10 0.00 0.00 33.47 28.90 2yux s TRP 38 CO -0.19 0.44 0.68 0.95 -2.66 0.00 0.00 176.95 176.17 2yux s THR 39 N -1.40 4.70 0.75 0.66 -4.23 0.29 -4.84 115.64 111.56 2yux s THR 39 Ca 0.21 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 2yux s THR 39 Cb -0.10 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 70.03 2yux s THR 39 CO 0.12 -0.60 1.08 -2.16 -0.54 0.00 0.00 174.62 172.52 2yux s PRO 40 N -4.55 2.51 0.41 3.99 0.04 -1.26 -3.66 135.00 132.48 2yux s PRO 40 Ca 0.45 0.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.05 2yux s PRO 40 Cb -0.10 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2yux s PRO 40 CO 0.40 -1.36 1.05 -1.25 0.04 0.00 0.00 177.00 175.88 2yux s PRO 41 N -5.10 4.12 0.00 0.56 0.04 -1.26 -3.83 135.00 129.52 2yux s PRO 41 Ca 0.59 1.50 0.23 0.00 0.04 0.00 0.00 61.00 63.37 2yux s PRO 41 Cb -0.14 -2.49 1.11 0.00 0.04 0.00 0.00 34.50 33.02 2yux s PRO 41 CO 0.55 -0.18 1.75 1.63 0.04 0.00 0.00 177.00 180.79 2yux n LYS 42 N -0.17 0.23 -3.60 4.56 5.02 -1.26 -4.51 118.16 118.43 2yux n LYS 42 Ca 0.05 0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.25 2yux n LYS 42 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 2yux n LYS 42 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2yux s ASP 43 N -2.71 1.06 -0.35 4.39 2.15 -1.26 -5.09 116.67 114.87 2yux s ASP 43 Ca 0.19 0.08 0.01 0.00 0.43 0.00 0.00 52.55 53.26 2yux s ASP 43 Cb 0.15 0.33 0.14 0.00 -0.30 0.00 0.00 42.92 43.25 2yux s ASP 43 CO 0.37 -0.28 0.28 1.51 -0.17 0.00 0.00 175.17 176.88 2yux s ASP 44 N 2.31 2.16 0.00 -0.34 -4.77 -1.26 -4.88 116.67 109.89 2yux s ASP 44 Ca 0.04 -1.73 0.00 0.00 -3.30 0.00 0.00 52.55 47.56 2yux s ASP 44 Cb -0.14 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.78 2yux s ASP 44 CO -0.09 -0.31 0.00 0.61 0.70 0.00 0.00 175.17 176.08 2yux n GLY 45 N 4.35 0.14 0.22 2.12 0.00 -1.26 -4.97 105.19 105.80 2yux n GLY 45 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2yux n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yux h ASN 46 N 0.00 -0.57 -3.39 1.61 4.21 -1.90 -3.36 115.58 112.17 2yux h ASN 46 Ca 0.00 0.15 -0.56 0.00 1.21 0.00 0.00 56.30 57.10 2yux h ASN 46 Cb 0.00 0.33 -0.39 0.00 -1.12 0.00 0.00 38.32 37.14 2yux h ASN 46 CO 0.00 -0.20 -0.77 0.00 -1.29 0.00 0.00 177.43 175.17 2yux s ALA 47 N -6.18 1.39 -0.49 -0.83 0.00 -1.26 -4.97 121.76 109.42 2yux s ALA 47 Ca -0.14 -1.02 -0.45 0.00 0.00 0.00 0.00 51.96 50.35 2yux s ALA 47 Cb 0.15 -1.31 -0.19 0.00 0.00 0.00 0.00 23.12 21.77 2yux s ALA 47 CO 0.71 -1.23 1.98 0.00 0.00 0.00 0.00 175.76 177.22 2yux n ALA 48 N 4.90 -0.23 -2.15 0.00 0.00 -1.26 -4.63 120.51 117.13 2yux n ALA 48 Ca -0.09 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 2yux n ALA 48 Cb 0.46 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 2yux n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yux s ILE 49 N 5.11 3.51 0.09 0.00 1.01 -1.26 -3.53 121.20 126.13 2yux s ILE 49 Ca 1.15 -0.22 -0.34 0.00 0.00 0.00 0.00 60.65 61.23 2yux s ILE 49 Cb -1.48 -4.20 -0.15 0.00 0.01 0.00 0.00 42.46 36.64 2yux s ILE 49 CO 0.70 -1.14 1.58 0.71 0.00 0.00 0.00 174.94 176.79 2yux h THR 50 N 7.02 0.08 -1.17 2.92 1.35 -1.85 -3.48 112.91 117.78 2yux h THR 50 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2yux h THR 50 Cb 1.05 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 2yux h THR 50 CO 1.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.13 2yux n GLY 51 N -1.53 3.06 2.84 5.82 0.00 -1.25 -4.83 105.19 109.30 2yux n GLY 51 Ca -0.11 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 2yux n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yux s TYR 52 N -3.72 0.24 -0.15 1.61 2.02 -0.67 -2.90 117.35 113.78 2yux s TYR 52 Ca 0.00 0.01 -0.08 0.00 -0.37 0.00 0.00 57.07 56.63 2yux s TYR 52 Cb 0.00 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.21 2yux s TYR 52 CO 0.00 -0.09 0.12 0.99 -1.57 0.00 0.00 175.55 175.00 2yux s THR 53 N 0.71 5.33 0.03 -0.71 2.01 -1.03 -3.00 115.64 118.98 2yux s THR 53 Ca -0.07 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.16 2yux s THR 53 Cb -0.10 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2yux s THR 53 CO -0.01 0.54 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2yux s ILE 54 N -0.40 2.49 -0.03 1.82 1.09 -1.05 0.08 121.20 125.20 2yux s ILE 54 Ca 0.11 -1.21 -0.05 0.00 -1.10 0.00 0.00 60.65 58.40 2yux s ILE 54 Cb -0.12 -1.99 0.01 0.00 -1.06 0.00 0.00 42.46 39.30 2yux s ILE 54 CO 0.01 0.40 0.12 -1.10 -0.10 0.00 0.00 174.94 174.27 2yux s GLN 55 N -1.20 0.28 0.34 2.79 -0.21 -0.83 -1.87 119.66 118.96 2yux s GLN 55 Ca 0.13 -0.08 0.06 0.00 0.02 0.00 0.00 55.36 55.49 2yux s GLN 55 Cb -0.10 0.12 -0.07 0.00 1.00 0.00 0.00 33.01 33.96 2yux s GLN 55 CO 0.03 -0.05 0.00 -1.59 -2.12 0.00 0.00 175.29 171.56 2yux s LYS 56 N -0.55 1.74 -0.25 2.91 -2.85 -1.26 -1.30 119.74 118.18 2yux s LYS 56 Ca -0.06 -1.95 -0.12 0.00 -1.00 0.00 0.00 55.97 52.84 2yux s LYS 56 Cb -0.04 -1.25 0.09 0.00 -2.06 0.00 0.00 37.83 34.56 2yux s LYS 56 CO 0.01 -0.06 0.59 0.00 0.10 0.00 0.00 175.35 175.98 2yux s ALA 57 N -2.98 -1.65 0.93 0.59 0.00 -1.18 -3.65 121.76 113.81 2yux s ALA 57 Ca 0.34 2.10 -0.11 0.00 0.00 0.00 0.00 51.96 54.30 2yux s ALA 57 Cb 0.07 -1.39 0.15 0.00 0.00 0.00 0.00 23.12 21.95 2yux s ALA 57 CO 0.16 -0.53 1.11 -0.51 0.00 0.00 0.00 175.76 175.99 2yux s ASP 58 N 2.00 2.94 -0.24 0.00 1.01 -1.24 -1.99 116.67 119.14 2yux s ASP 58 Ca -0.08 1.95 0.05 0.00 0.71 0.00 0.00 52.55 55.18 2yux s ASP 58 Cb -0.08 -2.48 0.46 0.00 1.01 0.00 0.00 42.92 41.83 2yux s ASP 58 CO -0.17 -3.05 1.49 0.29 0.21 0.00 0.00 175.17 173.93 2yux n LYS 59 N -4.19 2.38 -0.12 8.23 4.76 -1.24 -1.75 118.16 126.23 2yux n LYS 59 Ca 0.09 -1.95 -0.22 0.00 -2.87 0.00 0.00 58.31 53.37 2yux n LYS 59 Cb 0.53 -1.83 -0.12 0.00 -1.84 0.00 0.00 35.03 31.77 2yux n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2yux n LYS 60 N -0.22 0.64 -0.25 1.97 4.76 -1.26 -4.72 118.16 119.07 2yux n LYS 60 Ca 0.31 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 2yux n LYS 60 Cb 1.12 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.78 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2yux n SER 61 N -3.60 0.00 -4.41 4.39 7.64 -1.25 -5.01 113.62 111.38 2yux n SER 61 Ca -0.47 -1.46 -0.37 0.00 1.01 0.00 0.00 58.87 57.57 2yux n SER 61 Cb 0.96 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.99 2yux n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2yux n MET 62 N 0.00 -1.22 -3.50 1.43 2.81 -0.72 -4.88 117.12 111.04 2yux n MET 62 Ca 0.00 0.17 -0.37 0.00 -1.81 0.00 0.00 57.70 55.69 2yux n MET 62 Cb 0.59 -4.40 -0.07 0.00 -0.71 0.00 0.00 33.22 28.64 2yux n MET 62 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2yux s GLU 63 N -7.22 4.16 0.13 0.03 2.02 -1.26 -4.92 118.70 111.65 2yux s GLU 63 Ca 0.52 0.22 0.07 0.00 0.02 0.00 0.00 54.97 55.80 2yux s GLU 63 Cb -0.30 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 2yux s GLU 63 CO 1.00 0.34 -0.05 -1.58 0.02 0.00 0.00 175.26 174.99 2yux s TRP 64 N 0.11 2.81 0.00 1.61 0.52 -1.26 -3.72 118.94 119.01 2yux s TRP 64 Ca 0.20 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.19 2yux s TRP 64 Cb -0.14 -1.42 0.00 0.00 -1.15 0.00 0.00 33.47 30.76 2yux s TRP 64 CO 0.07 0.47 0.00 1.19 0.02 0.00 0.00 176.95 178.71 2yux n PHE 65 N 0.35 0.00 -3.61 -1.98 3.01 -1.24 -5.05 117.46 108.94 2yux n PHE 65 Ca -0.11 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.25 2yux n PHE 65 Cb 0.53 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.94 2yux n PHE 65 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2yux s THR 66 N 0.00 0.00 0.00 4.37 2.01 -1.26 -4.96 115.64 115.80 2yux s THR 66 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2yux s THR 66 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2yux s THR 66 CO 0.00 0.00 0.00 0.52 -0.69 0.00 0.00 174.62 174.45 2yux n VAL 67 N 1.37 0.00 -3.57 3.82 0.31 -0.78 -4.79 118.33 114.69 2yux n VAL 67 Ca -0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.05 2yux n VAL 67 Cb 0.57 -0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 32.73 2yux n VAL 67 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2yux s ILE 68 N -1.82 0.01 0.00 2.52 1.10 -1.07 -4.99 121.20 116.96 2yux s ILE 68 Ca 0.00 -0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.05 2yux s ILE 68 Cb 0.00 -0.92 -0.00 0.00 0.15 0.00 0.00 42.46 41.68 2yux s ILE 68 CO 0.00 -0.05 -0.01 -1.61 -2.11 0.00 0.00 174.94 171.15 2yux s GLU 69 N -1.20 0.12 -0.87 3.50 2.02 -1.26 -2.53 118.70 118.49 2yux s GLU 69 Ca -0.11 -0.15 -0.04 0.00 0.02 0.00 0.00 54.97 54.69 2yux s GLU 69 Cb -0.01 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 2yux s GLU 69 CO 0.09 0.01 0.75 0.72 0.02 0.00 0.00 175.26 176.85 2yux n HIS 70 N 2.75 -1.93 -3.12 1.61 8.25 -1.26 -5.02 115.22 116.50 2yux n HIS 70 Ca -0.15 0.70 -0.18 0.00 -0.26 0.00 0.00 57.72 57.84 2yux n HIS 70 Cb 0.59 -3.97 0.01 0.00 1.12 0.00 0.00 29.99 27.74 2yux n HIS 70 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2yux s TYR 71 N -3.31 2.89 0.12 4.41 5.04 -1.16 -4.85 117.35 120.48 2yux s TYR 71 Ca 0.28 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 2yux s TYR 71 Cb -0.04 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 39.99 2yux s TYR 71 CO 0.59 -0.32 0.00 1.58 -1.34 0.00 0.00 175.55 176.06 2yux n HIS 72 N -1.80 -0.61 -0.84 4.97 -0.00 -1.26 -1.67 115.22 114.01 2yux n HIS 72 Ca 0.06 0.11 -0.35 0.00 0.46 0.00 0.00 57.72 58.00 2yux n HIS 72 Cb 0.59 0.18 0.10 0.00 -0.12 0.00 0.00 29.99 30.74 2yux n HIS 72 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2yux n ARG 73 N -3.21 -0.77 0.00 1.57 5.12 -1.26 -4.83 116.66 113.29 2yux n ARG 73 Ca 0.00 -0.22 0.10 0.00 -1.93 0.00 0.00 57.85 55.80 2yux n ARG 73 Cb 0.00 -1.31 0.08 0.00 -1.16 0.00 0.00 32.46 30.07 2yux n ARG 73 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2yux n THR 74 N -3.93 0.00 -4.09 0.55 -2.24 -1.26 -4.90 114.28 98.41 2yux n THR 74 Ca -0.01 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2yux n THR 74 Cb 0.68 1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 70.17 2yux n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yux s SER 75 N -1.60 0.65 -0.10 3.42 1.04 -1.26 -2.81 113.70 113.03 2yux s SER 75 Ca 0.22 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 2yux s SER 75 Cb 0.16 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.30 2yux s SER 75 CO 0.24 -0.06 0.26 0.00 0.98 0.00 0.00 173.24 174.66 2yux s ALA 76 N -0.67 -0.62 -0.35 5.32 0.00 -1.25 -5.01 121.76 119.18 2yux s ALA 76 Ca -0.04 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.57 2yux s ALA 76 Cb -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2yux s ALA 76 CO 0.00 -0.16 0.79 0.99 0.00 0.00 0.00 175.76 177.38 2yux s THR 77 N 0.69 4.75 0.57 0.00 2.01 -1.26 -3.14 115.64 119.26 2yux s THR 77 Ca -0.05 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 62.76 2yux s THR 77 Cb -0.06 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 2yux s THR 77 CO -0.04 -0.39 1.06 -0.63 -0.69 0.00 0.00 174.62 173.93 2yux s ILE 78 N 3.07 3.78 0.33 1.82 -1.09 0.44 -4.85 121.20 124.69 2yux s ILE 78 Ca 0.32 0.90 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 2yux s ILE 78 Cb -0.13 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2yux s ILE 78 CO 0.16 -0.44 0.19 0.42 -1.23 0.00 0.00 174.94 174.04 2yux s THR 79 N -2.33 0.24 -1.03 2.92 -4.23 -1.26 -2.47 115.64 107.48 2yux s THR 79 Ca 0.65 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 2yux s THR 79 Cb -0.16 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 2yux s THR 79 CO 0.33 0.00 0.89 -0.62 -0.54 0.00 0.00 174.62 174.68 2yux n GLU 80 N -0.64 -2.11 -4.94 3.99 1.02 -1.25 -5.01 120.64 111.70 2yux n GLU 80 Ca 0.02 0.90 -0.28 0.00 -0.02 0.00 0.00 57.16 57.77 2yux n GLU 80 Cb 0.64 -5.72 -0.15 0.00 -0.02 0.00 0.00 31.44 26.19 2yux n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2yux s LEU 81 N -5.34 2.11 -0.10 -4.62 1.43 -1.26 -5.12 118.68 105.78 2yux s LEU 81 Ca 0.42 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 2yux s LEU 81 Cb -0.06 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 2yux s LEU 81 CO 0.75 0.24 0.36 -0.69 0.23 0.00 0.00 176.35 177.24 2yux s VAL 82 N -0.68 5.21 -0.14 -1.59 1.01 -1.26 -4.68 120.40 118.27 2yux s VAL 82 Ca 0.09 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 2yux s VAL 82 Cb -0.09 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2yux s VAL 82 CO 0.01 0.45 1.01 -0.63 0.00 0.00 0.00 175.10 175.94 2yux s ILE 83 N -0.11 4.76 0.00 2.22 1.01 -1.26 -3.87 121.20 123.95 2yux s ILE 83 Ca 0.21 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.88 2yux s ILE 83 Cb -0.15 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.02 2yux s ILE 83 CO 0.08 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2yux n GLY 84 N 3.16 1.43 3.83 6.18 0.00 -1.25 -4.98 105.19 113.56 2yux n GLY 84 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2yux n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yux s ASN 85 N -2.00 -0.07 0.30 1.61 0.01 -1.25 -5.03 114.94 108.52 2yux s ASN 85 Ca 0.00 -0.77 0.07 0.00 -0.71 0.00 0.00 52.86 51.46 2yux s ASN 85 Cb 0.00 0.65 -0.06 0.00 0.41 0.00 0.00 41.25 42.25 2yux s ASN 85 CO 0.00 -1.25 -0.06 -1.83 -1.51 0.00 0.00 177.10 172.44 2yux s GLU 86 N -2.68 1.65 0.12 -0.60 -1.05 -1.26 -0.80 118.70 114.08 2yux s GLU 86 Ca 0.16 -1.85 -0.17 0.00 -0.15 0.00 0.00 54.97 52.97 2yux s GLU 86 Cb -0.04 -1.33 0.04 0.00 -0.44 0.00 0.00 34.13 32.36 2yux s GLU 86 CO 0.07 0.06 0.41 0.71 0.95 0.00 0.00 175.26 177.46 2yux s TYR 87 N -2.89 -0.23 0.46 4.83 1.51 -0.96 -3.67 117.35 116.40 2yux s TYR 87 Ca 0.31 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 2yux s TYR 87 Cb 0.04 0.28 -0.01 0.00 -0.11 0.00 0.00 41.96 42.16 2yux s TYR 87 CO 0.14 -0.71 0.35 0.71 -1.11 0.00 0.00 175.55 174.93 2yux s TYR 88 N -3.74 2.32 -0.09 2.71 2.02 -0.84 -1.65 117.35 118.08 2yux s TYR 88 Ca 0.02 -0.63 -0.27 0.00 -0.37 0.00 0.00 57.07 55.82 2yux s TYR 88 Cb 0.02 -2.04 0.06 0.00 -0.40 0.00 0.00 41.96 39.60 2yux s TYR 88 CO -0.12 -0.18 0.63 -0.06 -1.57 0.00 0.00 175.55 174.26 2yux s PHE 89 N -2.60 -0.62 -0.18 2.71 0.08 -1.26 -3.12 117.98 112.99 2yux s PHE 89 Ca 0.42 1.18 -0.10 0.00 0.12 0.00 0.00 56.93 58.54 2yux s PHE 89 Cb -0.01 0.34 0.06 0.00 -0.57 0.00 0.00 43.02 42.83 2yux s PHE 89 CO 0.25 -0.52 0.44 -0.98 -0.10 0.00 0.00 175.22 174.30 2yux s ARG 90 N -0.85 0.43 0.07 0.44 1.70 -0.42 -2.16 118.95 118.16 2yux s ARG 90 Ca -0.09 0.81 -0.04 0.00 -0.47 0.00 0.00 55.73 55.95 2yux s ARG 90 Cb -0.02 0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 2yux s ARG 90 CO 0.07 -0.15 0.29 0.08 -1.08 0.00 0.00 175.30 174.52 2yux s VAL 91 N 1.32 5.28 0.01 4.99 1.01 -1.25 -1.98 120.40 129.78 2yux s VAL 91 Ca -0.09 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2yux s VAL 91 Cb -0.08 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2yux s VAL 91 CO -0.12 0.17 -0.23 -0.36 0.00 0.00 0.00 175.10 174.57 2yux s PHE 92 N -1.50 2.00 -0.54 5.22 0.08 0.11 -3.32 117.98 120.03 2yux s PHE 92 Ca 0.35 -0.38 -0.21 0.00 0.12 0.00 0.00 56.93 56.81 2yux s PHE 92 Cb -0.13 -1.25 0.06 0.00 -0.57 0.00 0.00 43.02 41.13 2yux s PHE 92 CO 0.23 0.03 0.77 -1.12 -0.10 0.00 0.00 175.22 175.02 2yux s SER 93 N -0.81 6.25 0.64 1.36 0.01 -1.26 -2.48 113.70 117.41 2yux s SER 93 Ca 0.09 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 2yux s SER 93 Cb -0.09 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.85 2yux s SER 93 CO 0.00 -1.07 0.91 -1.61 0.41 0.00 0.00 173.24 171.88 2yux s GLU 94 N 3.20 2.26 0.00 12.44 8.01 -1.14 -3.87 118.70 139.60 2yux s GLU 94 Ca 0.20 -0.61 0.00 0.00 0.01 0.00 0.00 54.97 54.58 2yux s GLU 94 Cb -0.17 -2.33 0.00 0.00 -4.31 0.00 0.00 34.13 27.32 2yux s GLU 94 CO 0.14 -1.04 0.00 0.27 0.01 0.00 0.00 175.26 174.63 2yux n ASN 95 N -2.66 0.00 -2.80 -0.19 2.04 -1.26 -4.02 115.26 106.37 2yux n ASN 95 Ca 0.09 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.94 2yux n ASN 95 Cb 0.60 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.77 2yux n ASN 95 CO 0.00 0.00 0.00 1.15 -0.44 0.00 0.00 177.26 177.97 2yux n MET 96 N 0.00 3.10 0.00 -3.83 0.00 -1.23 -3.97 117.12 111.19 2yux n MET 96 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 57.70 55.79 2yux n MET 96 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 33.22 30.77 2yux n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yux n GLY 98 N -1.25 1.06 3.42 0.00 0.00 -1.25 -5.16 105.19 102.00 2yux n GLY 98 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2yux n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yux n LEU 99 N 0.00 -0.83 -4.85 0.99 4.32 -1.26 -4.48 117.00 110.89 2yux n LEU 99 Ca 0.00 0.04 -0.30 0.00 -0.02 0.00 0.00 56.01 55.73 2yux n LEU 99 Cb 0.00 -1.17 0.07 0.00 -1.62 0.00 0.00 43.42 40.70 2yux n LEU 99 CO 0.00 -3.15 0.74 -0.55 -1.22 0.00 0.00 177.39 173.21 2yux s SER 100 N -2.15 4.88 0.55 -1.43 0.15 -1.25 -4.94 113.70 109.51 2yux s SER 100 Ca 0.61 1.13 0.33 0.00 0.70 0.00 0.00 55.95 58.73 2yux s SER 100 Cb -0.19 -1.86 1.45 0.00 -1.71 0.00 0.00 66.02 63.71 2yux s SER 100 CO 0.65 -1.70 2.02 -0.33 1.20 0.00 0.00 173.24 175.08 2yux h GLU 101 N -0.91 0.00 -3.33 5.44 4.39 -1.93 -3.45 114.58 114.79 2yux h GLU 101 Ca -0.46 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2yux h GLU 101 Cb 1.27 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 2yux h GLU 101 CO 0.62 0.04 0.07 0.34 -1.16 0.00 0.00 179.01 178.93 2yux s ASP 102 N -5.74 -0.10 -0.03 1.42 2.15 -1.26 -5.17 116.67 107.94 2yux s ASP 102 Ca -0.00 -0.85 0.02 0.00 0.43 0.00 0.00 52.55 52.15 2yux s ASP 102 Cb 0.10 0.68 0.01 0.00 -0.30 0.00 0.00 42.92 43.41 2yux s ASP 102 CO 0.54 -1.30 -0.09 0.00 -0.17 0.00 0.00 175.17 174.15 2yux s ALA 103 N -3.73 0.91 -0.54 3.66 0.00 -1.26 -4.73 121.76 116.06 2yux s ALA 103 Ca 0.17 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 2yux s ALA 103 Cb -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 2yux s ALA 103 CO 0.09 0.12 2.17 0.99 0.00 0.00 0.00 175.76 179.13 2yux s THR 104 N 0.36 3.16 0.22 0.00 2.01 -1.21 -4.73 115.64 115.45 2yux s THR 104 Ca -0.06 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 2yux s THR 104 Cb -0.11 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 2yux s THR 104 CO 0.01 -0.40 0.84 -0.32 -0.69 0.00 0.00 174.62 174.07 2yux s MET 105 N 7.72 4.61 -0.07 4.92 0.00 -1.26 -3.81 119.30 131.41 2yux s MET 105 Ca 0.85 1.24 -0.36 0.00 0.00 0.00 0.00 55.69 57.41 2yux s MET 105 Cb -0.15 -3.13 -0.14 0.00 0.00 0.00 0.00 34.83 31.40 2yux s MET 105 CO 0.24 0.48 1.69 0.25 0.00 0.00 0.00 175.02 177.68 2yux n THR 106 N 1.26 0.29 -0.61 10.11 -2.24 -0.92 -4.75 114.28 117.43 2yux n THR 106 Ca -0.03 -0.05 0.48 0.00 -2.27 0.00 0.00 64.05 62.18 2yux n THR 106 Cb 0.49 -1.42 0.79 0.00 -2.10 0.00 0.00 70.33 68.09 2yux n THR 106 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2yux h LYS 107 N 7.17 0.01 -5.06 -0.78 1.79 -1.94 -3.40 116.57 114.37 2yux h LYS 107 Ca -0.47 -0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.39 2yux h LYS 107 Cb 1.29 -0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.81 2yux h LYS 107 CO 0.91 0.01 -0.50 -1.83 -1.08 0.00 0.00 179.45 176.96 2yux s GLU 108 N -4.93 2.05 0.43 3.15 -1.05 -1.26 -5.17 118.70 111.91 2yux s GLU 108 Ca -0.05 -2.28 0.08 0.00 -0.15 0.00 0.00 54.97 52.56 2yux s GLU 108 Cb 0.27 -0.82 -0.02 0.00 -0.44 0.00 0.00 34.13 33.11 2yux s GLU 108 CO 0.87 -0.49 0.37 -1.54 0.95 0.00 0.00 175.26 175.42 2yux s SER 109 N -3.70 4.97 -0.24 0.83 1.04 -1.26 -4.85 113.70 110.49 2yux s SER 109 Ca 0.17 -0.80 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 2yux s SER 109 Cb 0.01 -0.50 -0.01 0.00 0.10 0.00 0.00 66.02 65.62 2yux s SER 109 CO 0.11 -0.68 0.01 0.00 0.98 0.00 0.00 173.24 173.67 2yux s ALA 110 N -2.50 2.97 -0.25 5.32 0.00 -0.66 -4.93 121.76 121.70 2yux s ALA 110 Ca 0.47 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 2yux s ALA 110 Cb -0.02 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 2yux s ALA 110 CO 0.27 -0.51 0.59 0.08 0.00 0.00 0.00 175.76 176.19 2yux s VAL 111 N 1.53 5.02 0.55 0.00 1.01 -1.26 -2.25 120.40 124.99 2yux s VAL 111 Ca 0.06 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.90 2yux s VAL 111 Cb -0.15 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2yux s VAL 111 CO -0.00 0.06 1.07 -0.63 0.00 0.00 0.00 175.10 175.60 2yux s ILE 112 N 2.36 3.57 -0.23 2.22 -1.09 0.02 -4.94 121.20 123.10 2yux s ILE 112 Ca 0.25 0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 59.24 2yux s ILE 112 Cb -0.16 -3.35 0.17 0.00 -1.58 0.00 0.00 42.46 37.54 2yux s ILE 112 CO 0.09 -0.31 1.23 0.00 -1.23 0.00 0.00 174.94 174.72 2yux s ALA 113 N -2.11 -2.06 -0.94 9.38 0.00 -1.26 -3.76 121.76 121.02 2yux s ALA 113 Ca 0.68 1.76 -0.16 0.00 0.00 0.00 0.00 51.96 54.24 2yux s ALA 113 Cb -0.19 -1.08 0.18 0.00 0.00 0.00 0.00 23.12 22.03 2yux s ALA 113 CO 0.29 -0.31 1.03 -0.98 0.00 0.00 0.00 175.76 175.80 2yux s ARG 114 N -1.24 3.71 -0.29 0.00 1.70 -1.26 -2.07 118.95 119.50 2yux s ARG 114 Ca 0.06 -2.23 -0.16 0.00 -0.47 0.00 0.00 55.73 52.93 2yux s ARG 114 Cb -0.01 -4.73 0.16 0.00 -0.57 0.00 0.00 34.95 29.80 2yux s ARG 114 CO -0.05 -1.56 1.00 0.34 -1.08 0.00 0.00 175.30 173.96 2yux s ASP 115 N 2.82 -0.50 -0.46 -2.89 -1.08 -1.26 -4.96 116.67 108.35 2yux s ASP 115 Ca 0.28 0.76 0.03 0.00 -0.52 0.00 0.00 52.55 53.10 2yux s ASP 115 Cb -0.07 1.33 0.14 0.00 -1.46 0.00 0.00 42.92 42.87 2yux s ASP 115 CO -0.08 -0.11 0.28 -0.83 0.52 0.00 0.00 175.17 174.94 2yux s GLY 116 N 1.67 1.74 0.31 2.66 0.00 -1.26 -4.54 107.32 107.90 2yux s GLY 116 Ca -0.07 -2.70 -0.05 0.00 0.00 0.00 0.00 44.72 41.90 2yux s GLY 116 CO -0.15 1.58 0.45 -1.59 0.00 0.00 0.00 173.10 173.38 2yux s LYS 117 N 0.13 1.77 0.37 2.90 -2.85 -1.26 -5.11 119.74 115.69 2yux s LYS 117 Ca 0.20 -1.62 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 2yux s LYS 117 Cb -0.18 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2yux s LYS 117 CO -0.04 -0.73 0.00 1.51 0.10 0.00 0.00 175.35 176.19 2yux n ILE 118 N -0.49 -5.47 -3.70 3.79 3.06 -1.26 -5.03 119.36 110.26 2yux n ILE 118 Ca 0.00 2.49 -0.15 0.00 -2.50 0.00 0.00 62.75 62.59 2yux n ILE 118 Cb 0.62 -3.32 -0.15 0.00 0.54 0.00 0.00 39.64 37.34 2yux n ILE 118 CO 0.00 0.00 0.00 -0.31 -2.50 0.00 0.00 176.55 173.74 2yux s TYR 119 N -2.05 -0.23 0.00 9.51 2.02 -1.26 -5.20 117.35 120.14 2yux s TYR 119 Ca 0.00 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 2yux s TYR 119 Cb 0.00 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.42 2yux s TYR 119 CO 0.00 -0.25 0.00 1.63 -1.57 0.00 0.00 175.55 175.36