#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2u s TYR 3 N 0.00 2.43 0.06 -1.42 1.51 -0.13 -4.84 117.35 114.95 1y2u s TYR 3 Ca 0.00 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1y2u s TYR 3 Cb 0.00 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1y2u s TYR 3 CO 0.00 0.25 -0.21 0.95 -1.11 0.00 0.00 175.55 175.44 1y2u s THR 4 N -0.95 1.66 -0.18 -0.71 -4.23 -0.24 -0.46 115.64 110.52 1y2u s THR 4 Ca 0.14 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1y2u s THR 4 Cb -0.10 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.32 1y2u s THR 4 CO 0.05 0.13 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.56 1y2u s ILE 5 N -0.89 1.38 -0.23 2.99 1.01 0.66 -0.15 121.20 125.95 1y2u s ILE 5 Ca 0.07 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1y2u s ILE 5 Cb -0.09 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1y2u s ILE 5 CO 0.02 0.14 0.18 -0.44 0.00 0.00 0.00 174.94 174.84 1y2u s SER 6 N 1.51 6.14 -0.15 3.58 0.01 -0.37 -0.86 113.70 123.57 1y2u s SER 6 Ca -0.00 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.41 1y2u s SER 6 Cb -0.16 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1y2u s SER 6 CO -0.08 0.06 -0.18 -0.63 0.41 0.00 0.00 173.24 172.83 1y2u s ILE 7 N 1.04 2.43 -0.22 1.44 1.01 0.14 -0.95 121.20 126.09 1y2u s ILE 7 Ca 0.08 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 1y2u s ILE 7 Cb -0.13 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1y2u s ILE 7 CO 0.04 0.53 0.11 -0.13 0.00 0.00 0.00 174.94 175.49 1y2u s ARG 8 N 0.88 3.96 -0.23 2.79 0.52 -0.42 -1.38 118.95 125.07 1y2u s ARG 8 Ca -0.05 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.71 1y2u s ARG 8 Cb -0.15 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 1y2u s ARG 8 CO -0.02 0.09 0.25 0.08 0.02 0.00 0.00 175.30 175.72 1y2u s VAL 9 N 0.93 5.29 -0.35 3.52 1.01 -1.26 -0.09 120.40 129.45 1y2u s VAL 9 Ca 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1y2u s VAL 9 Cb -0.13 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1y2u s VAL 9 CO 0.03 0.30 0.08 -0.31 0.00 0.00 0.00 175.10 175.20 1y2u s TYR 10 N 1.25 3.46 -0.51 5.22 1.51 0.75 -4.97 117.35 124.07 1y2u s TYR 10 Ca 0.12 -2.25 -0.19 0.00 -1.01 0.00 0.00 57.07 53.74 1y2u s TYR 10 Cb -0.14 -2.65 0.06 0.00 -0.11 0.00 0.00 41.96 39.11 1y2u s TYR 10 CO 0.06 -0.89 0.62 -1.14 -1.11 0.00 0.00 175.55 173.09 1y2u s GLN 11 N 1.16 3.11 0.05 -0.62 0.74 -1.26 -0.16 119.66 122.68 1y2u s GLN 11 Ca 0.02 -0.92 0.23 0.00 0.05 0.00 0.00 55.36 54.74 1y2u s GLN 11 Cb -0.21 -4.10 0.04 0.00 1.10 0.00 0.00 33.01 29.84 1y2u s GLN 11 CO -0.03 -1.22 1.02 0.25 -0.55 0.00 0.00 175.29 174.76 1y2u n THR 12 N 5.59 0.17 -4.00 -0.34 -2.24 -0.34 -4.86 114.28 108.26 1y2u n THR 12 Ca -0.07 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1y2u n THR 12 Cb 0.45 0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.74 1y2u n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1y2u s THR 13 N -3.20 1.55 0.00 4.28 2.01 -1.26 -5.01 115.64 114.02 1y2u s THR 13 Ca 0.04 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1y2u s THR 13 Cb 0.14 -1.52 -0.18 0.00 0.01 0.00 0.00 72.50 70.96 1y2u s THR 13 CO 0.80 0.36 2.91 -0.81 -0.69 0.00 0.00 174.62 177.20 1y2u n PRO 14 N 4.76 1.56 -3.99 4.92 -0.04 -1.26 -4.58 135.00 136.36 1y2u n PRO 14 Ca -0.16 -0.66 -0.31 0.00 -0.04 0.00 0.00 63.50 62.33 1y2u n PRO 14 Cb 0.49 -1.71 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 1y2u n PRO 14 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1y2u s LYS 15 N 0.93 1.87 0.07 0.54 2.36 -1.26 -5.04 119.74 119.22 1y2u s LYS 15 Ca 0.44 -1.15 0.00 0.00 -2.55 0.00 0.00 55.97 52.72 1y2u s LYS 15 Cb 0.21 -2.72 0.00 0.00 -1.05 0.00 0.00 37.83 34.27 1y2u s LYS 15 CO 0.00 -0.59 0.00 0.41 1.55 0.00 0.00 175.35 176.72 1y2u n GLY 16 N 4.57 -1.76 3.14 5.54 0.00 -1.26 -4.98 105.19 110.43 1y2u n GLY 16 Ca -0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 1y2u n GLY 16 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y2u s PHE 17 N -1.77 -0.64 -0.19 1.61 5.36 -1.26 -5.02 117.98 116.07 1y2u s PHE 17 Ca 0.00 1.27 -0.17 0.00 -0.96 0.00 0.00 56.93 57.07 1y2u s PHE 17 Cb 0.00 0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.79 1y2u s PHE 17 CO 0.00 -0.44 0.45 -0.06 -1.46 0.00 0.00 175.22 173.71 1y2u s PHE 18 N 2.53 3.40 0.11 10.12 0.40 -1.26 -3.89 117.98 129.38 1y2u s PHE 18 Ca 0.00 0.72 0.10 0.00 -0.60 0.00 0.00 56.93 57.14 1y2u s PHE 18 Cb -0.12 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 1y2u s PHE 18 CO -0.11 -0.01 -0.22 -0.98 0.70 0.00 0.00 175.22 174.60 1y2u s ARG 19 N 1.29 1.65 0.18 0.44 1.70 -0.35 -4.85 118.95 119.02 1y2u s ARG 19 Ca 0.22 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 1y2u s ARG 19 Cb -0.15 -2.02 -0.08 0.00 -0.57 0.00 0.00 34.95 32.13 1y2u s ARG 19 CO 0.09 0.48 1.27 -1.25 -1.08 0.00 0.00 175.30 174.80 1y2u s PRO 20 N -1.97 4.42 0.00 3.89 0.04 -1.26 -1.52 135.00 138.60 1y2u s PRO 20 Ca 0.15 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1y2u s PRO 20 Cb -0.10 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1y2u s PRO 20 CO 0.07 -0.21 0.00 1.33 0.04 0.00 0.00 177.00 178.24 1y2u n VAL 21 N 2.75 0.00 -3.63 -0.36 0.24 -0.55 -4.94 118.33 111.84 1y2u n VAL 21 Ca 0.06 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 1y2u n VAL 21 Cb 0.44 0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 1y2u n VAL 21 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1y2u s GLU 22 N -0.47 0.51 -0.08 7.34 2.12 -1.23 -4.98 118.70 121.91 1y2u s GLU 22 Ca 0.00 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 1y2u s GLU 22 Cb 0.00 0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.69 1y2u s GLU 22 CO 0.00 -0.07 0.17 -0.98 -0.54 0.00 0.00 175.26 173.84 1y2u s ARG 23 N 0.16 0.06 0.22 4.30 1.70 -1.26 -1.64 118.95 122.49 1y2u s ARG 23 Ca 0.03 0.52 0.11 0.00 -0.47 0.00 0.00 55.73 55.92 1y2u s ARG 23 Cb -0.05 -0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.06 1y2u s ARG 23 CO -0.06 -0.26 -0.21 0.95 -1.08 0.00 0.00 175.30 174.64 1y2u s THR 24 N 1.97 2.23 -0.10 4.99 -4.23 -0.37 -4.96 115.64 115.18 1y2u s THR 24 Ca -0.01 -2.14 0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1y2u s THR 24 Cb -0.12 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.62 1y2u s THR 24 CO -0.06 -0.29 -0.16 0.20 -0.54 0.00 0.00 174.62 173.77 1y2u s ASN 25 N -2.99 2.41 0.68 3.99 0.01 -1.26 -2.06 114.94 115.71 1y2u s ASN 25 Ca 0.23 -0.42 -0.12 0.00 -0.71 0.00 0.00 52.86 51.84 1y2u s ASN 25 Cb -0.06 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.52 1y2u s ASN 25 CO 0.11 0.05 1.06 0.86 -1.51 0.00 0.00 177.10 177.66 1y2u s TRP 26 N 0.79 3.04 -0.81 2.20 -0.00 -0.43 -4.95 118.94 118.78 1y2u s TRP 26 Ca -0.11 1.45 0.24 0.00 -0.00 0.00 0.00 56.10 57.69 1y2u s TRP 26 Cb -0.16 -2.92 0.35 0.00 -0.00 0.00 0.00 33.47 30.75 1y2u s TRP 26 CO 0.02 -1.26 1.30 0.36 -0.00 0.00 0.00 176.95 177.36 1y2u n LYS 27 N -2.95 0.15 -1.37 5.86 2.85 -1.26 -4.34 118.16 117.08 1y2u n LYS 27 Ca 0.08 0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 57.08 1y2u n LYS 27 Cb 0.53 -1.58 0.15 0.00 -0.65 0.00 0.00 35.03 33.49 1y2u n LYS 27 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1y2u s TYR 28 N -3.09 2.34 -1.51 5.58 4.12 -1.26 -3.39 117.35 120.13 1y2u s TYR 28 Ca 0.08 0.92 -0.12 0.00 0.02 0.00 0.00 57.07 57.97 1y2u s TYR 28 Cb 0.16 -3.33 0.08 0.00 -1.52 0.00 0.00 41.96 37.34 1y2u s TYR 28 CO 0.73 -2.59 0.93 0.00 0.02 0.00 0.00 175.55 174.63 1y2u n ALA 29 N -3.94 -1.40 -2.16 3.71 0.00 -1.26 -0.69 120.51 114.77 1y2u n ALA 29 Ca 0.06 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 1y2u n ALA 29 Cb 0.58 -4.04 -0.03 0.00 0.00 0.00 0.00 19.45 15.97 1y2u n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y2u n ASN 30 N -2.86 -5.59 0.00 0.00 3.02 -1.26 -2.77 115.26 105.80 1y2u n ASN 30 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1y2u n ASN 30 Cb 0.55 -4.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1y2u n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y2u n GLY 31 N -0.89 0.54 3.65 7.41 0.00 0.13 -4.50 105.19 111.54 1y2u n GLY 31 Ca -0.23 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.04 1y2u n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2u n GLY 32 N 0.00 0.16 3.09 -0.02 0.00 -1.26 -1.82 105.19 105.34 1y2u n GLY 32 Ca 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1y2u n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2u s THR 33 N -2.01 0.23 -0.13 2.61 -4.23 0.29 -4.90 115.64 107.49 1y2u s THR 33 Ca 0.29 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1y2u s THR 33 Cb -0.00 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 1y2u s THR 33 CO -0.02 -0.98 -0.10 0.26 -0.54 0.00 0.00 174.62 173.24 1y2u s TRP 34 N -3.92 2.88 0.10 3.99 0.52 -1.26 -1.28 118.94 119.97 1y2u s TRP 34 Ca 0.08 -0.49 0.08 0.00 0.02 0.00 0.00 56.10 55.79 1y2u s TRP 34 Cb 0.08 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1y2u s TRP 34 CO -0.09 -0.11 -0.19 -0.51 0.02 0.00 0.00 176.95 176.06 1y2u s ASP 35 N 0.25 2.38 -0.25 2.95 1.01 0.10 -4.97 116.67 118.13 1y2u s ASP 35 Ca -0.07 -0.70 -0.13 0.00 0.71 0.00 0.00 52.55 52.36 1y2u s ASP 35 Cb -0.15 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.61 1y2u s ASP 35 CO 0.04 0.02 0.27 -1.61 0.21 0.00 0.00 175.17 174.10 1y2u s GLU 36 N -2.00 4.06 -0.15 8.23 2.02 -1.26 -0.05 118.70 129.54 1y2u s GLU 36 Ca 0.06 -0.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.92 1y2u s GLU 36 Cb -0.09 -3.59 0.05 0.00 0.10 0.00 0.00 34.13 30.60 1y2u s GLU 36 CO 0.04 -0.09 0.04 0.08 0.02 0.00 0.00 175.26 175.34 1y2u s VAL 37 N 1.50 0.37 -1.52 2.63 1.01 -0.04 -4.88 120.40 119.47 1y2u s VAL 37 Ca 0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1y2u s VAL 37 Cb -0.15 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.51 1y2u s VAL 37 CO 0.08 -0.08 0.91 0.54 0.00 0.00 0.00 175.10 176.55 1y2u n ARG 38 N 5.12 -5.16 -0.95 2.72 1.74 -1.26 -0.95 116.66 117.92 1y2u n ARG 38 Ca -0.08 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1y2u n ARG 38 Cb 0.48 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.54 1y2u n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y2u n GLY 39 N -1.66 0.61 3.55 -0.13 0.00 -1.26 -5.04 105.19 101.26 1y2u n GLY 39 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1y2u n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y2u s GLU 40 N -0.05 1.97 -0.21 1.61 2.02 -0.13 -4.77 118.70 119.14 1y2u s GLU 40 Ca 0.00 -1.32 -0.17 0.00 0.02 0.00 0.00 54.97 53.50 1y2u s GLU 40 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 1y2u s GLU 40 CO 0.00 0.43 0.45 0.71 0.02 0.00 0.00 175.26 176.87 1y2u s TYR 41 N -1.71 3.36 -0.27 1.61 1.51 -0.48 -0.87 117.35 120.52 1y2u s TYR 41 Ca 0.24 0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1y2u s TYR 41 Cb -0.09 -2.59 0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1y2u s TYR 41 CO 0.14 -0.07 -0.05 0.08 -1.11 0.00 0.00 175.55 174.55 1y2u s VAL 42 N 1.51 2.80 -0.25 0.71 1.01 0.92 0.24 120.40 127.34 1y2u s VAL 42 Ca 0.21 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 1y2u s VAL 42 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1y2u s VAL 42 CO 0.09 0.06 0.51 -0.22 0.00 0.00 0.00 175.10 175.54 1y2u s LEU 43 N 1.27 4.08 -0.12 3.92 2.96 -0.04 -0.72 118.68 130.03 1y2u s LEU 43 Ca -0.03 0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1y2u s LEU 43 Cb -0.18 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 1y2u s LEU 43 CO -0.03 -0.25 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.78 1y2u s THR 44 N 2.12 3.63 0.03 3.68 2.01 -0.41 -0.25 115.64 126.46 1y2u s THR 44 Ca 0.22 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1y2u s THR 44 Cb -0.16 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 1y2u s THR 44 CO 0.09 0.54 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.40 1y2u s MET 45 N -0.10 0.86 0.00 4.92 -1.94 0.39 -0.55 119.30 122.88 1y2u s MET 45 Ca 0.01 -0.69 0.16 0.00 -1.71 0.00 0.00 55.69 53.47 1y2u s MET 45 Cb -0.13 -0.84 0.98 0.00 2.01 0.00 0.00 34.83 36.84 1y2u s MET 45 CO 0.03 0.21 1.63 0.41 -0.01 0.00 0.00 175.02 177.29 1y2u n GLY 46 N 2.02 -0.99 0.00 -0.03 0.00 -0.76 -0.96 105.19 104.47 1y2u n GLY 46 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1y2u n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2u n GLY 47 N 0.75 -1.38 3.82 -0.02 0.00 -1.11 -4.42 105.19 102.82 1y2u n GLY 47 Ca 0.12 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1y2u n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2u s SER 48 N -3.90 7.03 0.00 1.61 0.15 -1.26 -4.44 113.70 112.89 1y2u s SER 48 Ca 0.00 1.26 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1y2u s SER 48 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1y2u s SER 48 CO 0.00 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1y2u n GLY 49 N 1.37 1.22 1.49 9.45 0.00 0.46 -4.62 105.19 114.55 1y2u n GLY 49 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1y2u n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1y2u n THR 50 N -0.21 0.00 -3.80 2.61 5.66 -1.20 -4.68 114.28 112.65 1y2u n THR 50 Ca 0.00 -1.04 -0.04 0.00 -3.05 0.00 0.00 64.05 59.92 1y2u n THR 50 Cb 0.00 0.34 -0.00 0.00 -1.55 0.00 0.00 70.33 69.12 1y2u n THR 50 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1y2u s SER 51 N -2.12 -0.13 0.03 1.09 1.04 -1.26 -2.13 113.70 110.23 1y2u s SER 51 Ca 0.07 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 1y2u s SER 51 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1y2u s SER 51 CO 0.05 -1.05 0.12 -0.83 0.98 0.00 0.00 173.24 172.51 1y2u s GLY 52 N -3.06 0.13 0.04 7.32 0.00 -0.02 -1.31 107.32 110.42 1y2u s GLY 52 Ca 0.15 -0.42 0.08 0.00 0.00 0.00 0.00 44.72 44.52 1y2u s GLY 52 CO 0.04 -0.57 -0.22 -0.56 0.00 0.00 0.00 173.10 171.79 1y2u s SER 53 N -1.95 2.67 -0.13 1.64 0.01 -0.87 -1.48 113.70 113.59 1y2u s SER 53 Ca -0.07 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.67 1y2u s SER 53 Cb -0.03 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1y2u s SER 53 CO -0.03 0.19 -0.21 -0.76 0.41 0.00 0.00 173.24 172.84 1y2u s LEU 54 N -1.17 2.21 -0.11 2.44 1.43 0.32 -1.24 118.68 122.56 1y2u s LEU 54 Ca 0.09 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1y2u s LEU 54 Cb -0.09 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1y2u s LEU 54 CO 0.02 0.11 0.06 -0.60 0.23 0.00 0.00 176.35 176.16 1y2u s ARG 55 N 0.66 3.29 0.01 1.70 3.52 -0.65 -0.24 118.95 127.24 1y2u s ARG 55 Ca -0.10 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.24 1y2u s ARG 55 Cb -0.16 -2.99 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1y2u s ARG 55 CO 0.02 0.66 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.94 1y2u s PHE 56 N -0.73 1.46 -0.04 5.12 0.40 -0.45 -1.48 117.98 122.26 1y2u s PHE 56 Ca 0.12 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1y2u s PHE 56 Cb -0.12 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.51 1y2u s PHE 56 CO 0.03 0.01 -0.10 0.08 0.70 0.00 0.00 175.22 175.94 1y2u s VAL 57 N -0.56 0.90 -0.57 -0.44 1.01 -0.57 -1.60 120.40 118.57 1y2u s VAL 57 Ca 0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1y2u s VAL 57 Cb -0.07 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.63 1y2u s VAL 57 CO 0.00 0.29 0.44 -0.55 0.00 0.00 0.00 175.10 175.28 1y2u s SER 58 N 0.44 5.77 0.34 3.32 0.15 0.12 -1.21 113.70 122.63 1y2u s SER 58 Ca -0.08 -2.26 0.07 0.00 0.70 0.00 0.00 55.95 54.38 1y2u s SER 58 Cb -0.12 -2.01 0.62 0.00 -1.71 0.00 0.00 66.02 62.81 1y2u s SER 58 CO 0.02 -0.60 1.83 0.28 1.20 0.00 0.00 173.24 175.97 1y2u h SER 59 N 8.01 0.31 -0.47 5.45 0.02 -1.80 -1.50 113.55 123.58 1y2u h SER 59 Ca -0.11 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1y2u h SER 59 Cb 1.04 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1y2u h SER 59 CO 0.81 0.52 0.31 0.44 -1.14 0.00 0.00 176.83 177.77 1y2u h ASP 60 N 0.30 0.53 0.00 3.07 5.19 -1.93 -3.25 116.42 120.33 1y2u h ASP 60 Ca 0.05 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1y2u h ASP 60 Cb 0.51 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1y2u h ASP 60 CO 0.03 0.38 -0.01 0.35 -3.12 0.00 0.00 179.24 176.88 1y2u n THR 61 N -4.47 1.11 -3.82 0.35 -2.24 -1.06 -5.01 114.28 99.14 1y2u n THR 61 Ca 0.04 -1.20 -0.25 0.00 -2.27 0.00 0.00 64.05 60.37 1y2u n THR 61 Cb 0.06 0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1y2u n THR 61 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1y2u n ASP 62 N -0.67 -1.86 -4.38 3.42 4.64 -0.64 -5.00 116.55 112.06 1y2u n ASP 62 Ca 0.04 -0.86 -0.23 0.00 -1.38 0.00 0.00 54.79 52.36 1y2u n ASP 62 Cb 0.37 -3.75 -0.11 0.00 -1.04 0.00 0.00 41.12 36.59 1y2u n ASP 62 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1y2u s GLU 63 N -6.28 1.40 0.03 -0.67 2.02 -0.76 -5.01 118.70 109.44 1y2u s GLU 63 Ca 0.18 -1.52 -0.28 0.00 0.02 0.00 0.00 54.97 53.37 1y2u s GLU 63 Cb -0.09 -1.48 0.09 0.00 0.10 0.00 0.00 34.13 32.75 1y2u s GLU 63 CO 0.84 0.29 0.86 -1.54 0.02 0.00 0.00 175.26 175.74 1y2u s SER 64 N -2.91 -0.37 0.08 -0.19 1.04 -1.26 0.14 113.70 110.23 1y2u s SER 64 Ca 0.20 -0.05 -0.26 0.00 0.48 0.00 0.00 55.95 56.33 1y2u s SER 64 Cb -0.05 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.56 1y2u s SER 64 CO 0.09 -0.69 0.64 0.72 0.98 0.00 0.00 173.24 174.98 1y2u s PHE 65 N -3.21 -0.57 -0.15 5.02 -0.12 -0.63 -4.17 117.98 114.15 1y2u s PHE 65 Ca 0.05 0.58 0.01 0.00 -0.05 0.00 0.00 56.93 57.52 1y2u s PHE 65 Cb -0.01 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1y2u s PHE 65 CO -0.08 -0.75 -0.17 0.08 -0.05 0.00 0.00 175.22 174.25 1y2u s VAL 66 N -2.87 2.54 -0.20 -2.49 1.01 -0.01 -1.34 120.40 117.04 1y2u s VAL 66 Ca -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1y2u s VAL 66 Cb -0.01 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1y2u s VAL 66 CO -0.05 0.52 -0.02 0.00 0.00 0.00 0.00 175.10 175.55 1y2u s ALA 67 N 0.77 2.96 -0.04 5.51 0.00 0.67 -1.34 121.76 130.28 1y2u s ALA 67 Ca -0.07 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1y2u s ALA 67 Cb -0.16 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1y2u s ALA 67 CO 0.00 -0.15 -0.20 0.99 0.00 0.00 0.00 175.76 176.40 1y2u s THR 68 N 1.01 2.59 -0.01 0.00 2.01 -0.34 -0.52 115.64 120.38 1y2u s THR 68 Ca 0.01 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1y2u s THR 68 Cb -0.14 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 1y2u s THR 68 CO 0.01 0.58 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.10 1y2u s PHE 69 N -0.61 0.63 0.09 4.92 0.40 -0.55 -1.93 117.98 120.93 1y2u s PHE 69 Ca 0.09 -0.13 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1y2u s PHE 69 Cb -0.11 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 43.01 1y2u s PHE 69 CO 0.00 -0.04 0.38 0.41 0.70 0.00 0.00 175.22 176.68 1y2u n GLY 70 N 3.09 1.15 3.02 4.36 0.00 -0.90 -0.84 105.19 115.07 1y2u n GLY 70 Ca -0.15 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1y2u n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2u s VAL 71 N -2.43 1.39 -0.13 1.61 1.01 -0.90 -0.58 120.40 120.35 1y2u s VAL 71 Ca 0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1y2u s VAL 71 Cb -0.01 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1y2u s VAL 71 CO 0.03 0.42 -0.18 -2.28 0.00 0.00 0.00 175.10 173.09 1y2u s HIS 72 N 1.15 2.35 -1.43 5.22 5.04 0.56 -0.40 115.29 127.77 1y2u s HIS 72 Ca -0.04 -1.20 -0.01 0.00 -1.54 0.00 0.00 55.06 52.26 1y2u s HIS 72 Cb -0.14 -1.65 0.00 0.00 0.04 0.00 0.00 32.58 30.83 1y2u s HIS 72 CO -0.04 -0.59 0.34 0.09 -2.34 0.00 0.00 174.74 172.20 1y2u n ASN 73 N 4.28 -0.25 -0.61 9.88 3.02 -1.26 -1.85 115.26 128.46 1y2u n ASN 73 Ca -0.19 -1.08 -0.08 0.00 -0.03 0.00 0.00 54.58 53.20 1y2u n ASN 73 Cb 0.51 -2.70 -0.03 0.00 -0.61 0.00 0.00 39.78 36.94 1y2u n ASN 73 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y2u n TYR 74 N -4.45 0.00 -4.94 3.10 4.02 -1.26 -4.98 117.16 108.65 1y2u n TYR 74 Ca -0.31 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.31 1y2u n TYR 74 Cb 0.68 -2.14 -0.16 0.00 -0.02 0.00 0.00 39.34 37.71 1y2u n TYR 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1y2u s LYS 75 N -2.43 1.84 0.67 -0.72 1.02 -0.77 -4.97 119.74 114.37 1y2u s LYS 75 Ca 0.00 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.13 1y2u s LYS 75 Cb 0.00 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1y2u s LYS 75 CO 0.00 0.32 1.26 -0.98 -0.92 0.00 0.00 175.35 175.03 1y2u s ARG 76 N -0.16 2.44 0.12 1.68 3.03 -1.26 -0.33 118.95 124.49 1y2u s ARG 76 Ca -0.00 1.95 -0.03 0.00 2.03 0.00 0.00 55.73 59.69 1y2u s ARG 76 Cb -0.11 -1.85 -0.03 0.00 -1.03 0.00 0.00 34.95 31.94 1y2u s ARG 76 CO 0.01 -1.65 0.09 1.67 -1.13 0.00 0.00 175.30 174.30 1y2u s TRP 77 N -1.59 0.70 0.18 5.89 1.48 0.25 -3.83 118.94 122.01 1y2u s TRP 77 Ca 0.80 -1.09 -0.16 0.00 -1.06 0.00 0.00 56.10 54.58 1y2u s TRP 77 Cb -0.34 -0.37 0.03 0.00 -1.16 0.00 0.00 33.47 31.62 1y2u s TRP 77 CO 0.41 -0.54 0.48 0.00 -4.06 0.00 0.00 176.95 173.24 1y2u s ASP 79 N -2.87 -0.59 -0.05 0.00 2.15 -0.81 -4.71 116.67 109.78 1y2u s ASP 79 Ca 0.09 0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.46 1y2u s ASP 79 Cb -0.00 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 1y2u s ASP 79 CO -0.04 -0.75 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.43 1y2u s ILE 80 N -2.38 1.31 -0.09 4.11 1.01 -1.26 -1.20 121.20 122.69 1y2u s ILE 80 Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1y2u s ILE 80 Cb -0.01 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1y2u s ILE 80 CO -0.01 0.39 -0.20 -0.69 0.00 0.00 0.00 174.94 174.42 1y2u s VAL 81 N 0.27 2.46 0.05 2.92 1.01 -0.45 -4.97 120.40 121.68 1y2u s VAL 81 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1y2u s VAL 81 Cb -0.13 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1y2u s VAL 81 CO 0.03 0.56 0.03 1.07 0.00 0.00 0.00 175.10 176.78 1y2u n THR 82 N 3.24 0.00 -3.75 3.92 5.66 -1.26 -0.83 114.28 121.26 1y2u n THR 82 Ca -0.18 -0.30 -0.24 0.00 -3.05 0.00 0.00 64.05 60.28 1y2u n THR 82 Cb 0.53 0.13 0.04 0.00 -1.55 0.00 0.00 70.33 69.47 1y2u n THR 82 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1y2u n ASN 83 N -2.41 -2.73 -4.77 1.09 3.02 -1.26 -4.94 115.26 103.27 1y2u n ASN 83 Ca 0.00 -0.78 -0.39 0.00 -0.03 0.00 0.00 54.58 53.39 1y2u n ASN 83 Cb 0.08 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.08 1y2u n ASN 83 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y2u s LEU 84 N -6.90 4.36 0.74 3.41 1.43 -1.26 -5.06 118.68 115.40 1y2u s LEU 84 Ca 0.25 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 1y2u s LEU 84 Cb -0.12 -3.88 0.03 0.00 0.03 0.00 0.00 46.19 42.25 1y2u s LEU 84 CO 0.81 -0.31 1.12 0.42 0.23 0.00 0.00 176.35 178.62 1y2u s THR 85 N -1.38 3.07 0.03 5.49 -4.23 -1.26 -4.96 115.64 112.39 1y2u s THR 85 Ca 0.51 0.35 0.32 0.00 -1.18 0.00 0.00 61.69 61.68 1y2u s THR 85 Cb -0.28 -3.33 0.35 0.00 1.34 0.00 0.00 72.50 70.59 1y2u s THR 85 CO 0.35 -0.45 1.96 0.78 -0.54 0.00 0.00 174.62 176.72 1y2u h ASN 86 N -0.78 0.00 0.84 3.99 2.35 -2.04 -1.92 115.58 118.02 1y2u h ASN 86 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1y2u h ASN 86 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1y2u h ASN 86 CO 0.64 0.00 -0.29 -0.62 -1.65 0.00 0.00 177.43 175.52 1y2u n GLU 87 N -2.81 0.07 -2.85 0.81 4.71 -1.26 -4.49 120.64 114.81 1y2u n GLU 87 Ca 0.00 0.04 -0.43 0.00 -0.01 0.00 0.00 57.16 56.75 1y2u n GLU 87 Cb 0.23 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1y2u n GLU 87 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1y2u n GLN 88 N -1.67 3.78 -1.78 3.49 6.02 -0.72 -4.83 117.38 121.66 1y2u n GLN 88 Ca 0.06 -4.06 -0.29 0.00 -0.01 0.00 0.00 57.00 52.70 1y2u n GLN 88 Cb 0.36 -2.77 0.11 0.00 1.02 0.00 0.00 30.24 28.97 1y2u n GLN 88 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y2u s THR 89 N -0.51 1.99 0.33 5.09 -4.23 -1.26 -4.82 115.64 112.23 1y2u s THR 89 Ca 0.36 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1y2u s THR 89 Cb 0.02 -2.92 0.22 0.00 1.34 0.00 0.00 72.50 71.16 1y2u s THR 89 CO 0.01 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.04 1y2u h ALA 90 N -1.26 1.43 -0.62 3.99 0.00 -1.94 -1.22 119.26 119.64 1y2u h ALA 90 Ca -0.47 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.44 1y2u h ALA 90 Cb 1.32 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1y2u h ALA 90 CO 0.62 0.46 0.21 1.25 0.00 0.00 0.00 179.25 181.79 1y2u h LEU 91 N 0.83 0.17 0.21 0.00 6.46 -1.95 0.21 115.31 121.23 1y2u h LEU 91 Ca 0.21 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1y2u h LEU 91 Cb 0.05 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1y2u h LEU 91 CO -0.03 0.10 -0.10 0.58 -0.62 0.00 0.00 178.44 178.36 1y2u h VAL 92 N 0.37 0.88 -0.27 1.05 2.07 -1.72 -3.21 116.25 115.42 1y2u h VAL 92 Ca 0.32 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1y2u h VAL 92 Cb 0.43 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1y2u h VAL 92 CO -0.34 0.16 0.13 0.40 0.02 0.00 0.00 177.57 177.94 1y2u h ILE 93 N -0.67 1.14 -0.68 4.57 1.08 -0.99 -2.53 117.51 119.43 1y2u h ILE 93 Ca -0.03 -0.41 0.13 0.00 -0.39 0.00 0.00 64.86 64.16 1y2u h ILE 93 Cb 0.47 0.92 -0.09 0.00 -3.07 0.00 0.00 36.82 35.06 1y2u h ILE 93 CO 0.05 0.14 0.23 -1.13 -0.69 0.00 0.00 178.15 176.75 1y2u h ASN 94 N 0.30 0.17 0.57 1.72 -0.00 -0.72 -1.98 115.58 115.64 1y2u h ASN 94 Ca 0.09 0.11 -0.08 0.00 -0.00 0.00 0.00 56.30 56.42 1y2u h ASN 94 Cb 0.11 0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.53 1y2u h ASN 94 CO -0.01 0.07 -0.39 -0.61 -0.00 0.00 0.00 177.43 176.49 1y2u h GLN 95 N 0.37 0.00 0.00 6.67 4.15 -1.49 -3.05 115.11 121.76 1y2u h GLN 95 Ca 0.36 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 1y2u h GLN 95 Cb 0.54 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1y2u h GLN 95 CO -0.39 0.39 -0.01 0.93 -1.93 0.00 0.00 178.83 177.82 1y2u h GLU 96 N 0.00 0.00 0.00 1.69 5.08 -0.94 -2.33 114.58 118.08 1y2u h GLU 96 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y2u h GLU 96 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1y2u h GLU 96 CO 0.05 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 178.73 1y2u n TYR 97 N -3.11 0.00 -2.83 4.33 4.02 -1.15 -1.73 117.16 116.69 1y2u n TYR 97 Ca -0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1y2u n TYR 97 Cb 0.26 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1y2u n TYR 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1y2u n TYR 98 N -0.85 1.70 0.00 -0.72 4.02 -0.88 -4.36 117.16 116.07 1y2u n TYR 98 Ca 0.11 -3.33 0.00 0.00 -0.01 0.00 0.00 57.90 54.67 1y2u n TYR 98 Cb 0.05 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 1y2u n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y2u n GLY 99 N -0.06 0.48 3.55 2.72 0.00 -1.23 -5.10 105.19 105.55 1y2u n GLY 99 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1y2u n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2u s VAL 100 N 0.00 5.05 0.23 1.61 1.01 -0.71 -4.99 120.40 122.60 1y2u s VAL 100 Ca 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1y2u s VAL 100 Cb 0.00 -3.94 0.21 0.00 0.00 0.00 0.00 36.38 32.65 1y2u s VAL 100 CO 0.00 -0.20 1.69 -0.65 0.00 0.00 0.00 175.10 175.93 1y2u h PRO 101 N 8.48 0.23 0.00 2.72 0.11 -1.98 0.37 132.00 141.93 1y2u h PRO 101 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1y2u h PRO 101 Cb 1.13 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1y2u h PRO 101 CO 0.76 0.15 0.00 0.97 -0.21 0.00 0.00 178.00 179.67 1y2u h ILE 102 N 0.24 0.00 0.05 4.15 6.09 -1.94 -1.58 117.51 124.52 1y2u h ILE 102 Ca 0.38 -0.26 -0.38 0.00 -1.37 0.00 0.00 64.86 63.23 1y2u h ILE 102 Cb 0.62 1.22 -0.05 0.00 0.47 0.00 0.00 36.82 39.08 1y2u h ILE 102 CO -0.49 0.00 -2.22 0.54 -3.07 0.00 0.00 178.15 172.91 1y2u n ARG 103 N -2.99 0.69 -0.24 2.19 5.12 -0.10 -4.03 116.66 117.30 1y2u n ARG 103 Ca -0.01 0.23 0.04 0.00 -1.93 0.00 0.00 57.85 56.18 1y2u n ARG 103 Cb 0.19 -1.61 0.17 0.00 -1.16 0.00 0.00 32.46 30.05 1y2u n ARG 103 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1y2u h ASP 104 N -0.08 0.20 -0.58 0.55 3.32 -0.13 -2.10 116.42 117.60 1y2u h ASP 104 Ca -0.51 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 1y2u h ASP 104 Cb 1.91 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.54 1y2u h ASP 104 CO -0.04 0.07 0.16 0.06 -1.72 0.00 0.00 179.24 177.77 1y2u h GLN 105 N 0.39 0.96 -0.52 3.56 -0.00 -1.48 -0.51 115.11 117.51 1y2u h GLN 105 Ca 0.39 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 1y2u h GLN 105 Cb 0.60 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 27.92 1y2u h GLN 105 CO -0.41 0.84 0.29 0.00 -0.00 0.00 0.00 178.83 179.55 1y2u h ALA 106 N 1.26 0.67 -0.32 0.06 0.00 -1.53 -2.11 119.26 117.29 1y2u h ALA 106 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1y2u h ALA 106 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1y2u h ALA 106 CO -0.00 0.19 0.16 -0.09 0.00 0.00 0.00 179.25 179.51 1y2u h ARG 107 N 0.70 0.45 0.00 0.00 2.43 -0.98 -2.80 114.38 114.19 1y2u h ARG 107 Ca 0.18 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1y2u h ARG 107 Cb 0.05 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1y2u h ARG 107 CO -0.03 0.41 -0.02 0.93 -1.51 0.00 0.00 179.97 179.75 1y2u h GLU 108 N 0.38 0.00 0.00 0.20 5.08 -0.87 -2.19 114.58 117.18 1y2u h GLU 108 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1y2u h GLU 108 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1y2u h GLU 108 CO -0.02 0.02 0.00 -0.91 -1.00 0.00 0.00 179.01 177.11 1y2u h ASN 109 N 0.00 0.00 -6.58 1.42 -0.26 -1.10 -3.47 115.58 105.59 1y2u h ASN 109 Ca -0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 1y2u h ASN 109 Cb 0.17 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 37.34 1y2u h ASN 109 CO 0.00 0.00 -0.89 0.00 -1.06 0.00 0.00 177.43 175.48 1y2u n GLN 110 N -2.83 -3.06 -2.49 0.81 6.02 -0.82 -4.88 117.38 110.12 1y2u n GLN 110 Ca 0.00 0.37 -0.40 0.00 -0.01 0.00 0.00 57.00 56.97 1y2u n GLN 110 Cb 0.25 -4.51 -0.04 0.00 1.02 0.00 0.00 30.24 26.95 1y2u n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1y2u s LEU 111 N -7.05 4.51 0.07 1.08 1.43 -1.25 -4.71 118.68 112.77 1y2u s LEU 111 Ca 0.09 2.24 0.25 0.00 -1.03 0.00 0.00 54.13 55.68 1y2u s LEU 111 Cb -0.05 -3.68 0.41 0.00 0.03 0.00 0.00 46.19 42.90 1y2u s LEU 111 CO 0.90 -0.17 1.35 0.35 0.23 0.00 0.00 176.35 179.02 1y2u n THR 112 N 1.07 0.21 -3.63 5.49 -2.24 -1.26 -3.71 114.28 110.21 1y2u n THR 112 Ca -0.01 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 1y2u n THR 112 Cb 0.45 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1y2u n THR 112 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y2u s SER 113 N -3.75 -0.58 -0.12 3.42 1.04 -1.26 -0.33 113.70 112.11 1y2u s SER 113 Ca 0.08 0.91 -0.11 0.00 0.48 0.00 0.00 55.95 57.31 1y2u s SER 113 Cb 0.15 0.89 0.03 0.00 0.10 0.00 0.00 66.02 67.19 1y2u s SER 113 CO 0.71 -0.37 0.33 -0.47 0.98 0.00 0.00 173.24 174.41 1y2u s TYR 114 N -0.40 -0.37 0.01 5.02 5.04 -0.31 -5.00 117.35 121.35 1y2u s TYR 114 Ca -0.05 0.90 0.02 0.00 -2.44 0.00 0.00 57.07 55.49 1y2u s TYR 114 Cb -0.03 0.13 -0.01 0.00 0.35 0.00 0.00 41.96 42.40 1y2u s TYR 114 CO 0.04 -0.19 -0.06 0.54 -1.34 0.00 0.00 175.55 174.55 1y2u s ASN 115 N 0.33 0.65 0.06 4.32 2.20 -1.26 -0.72 114.94 120.52 1y2u s ASN 115 Ca -0.01 -0.24 -0.10 0.00 -0.94 0.00 0.00 52.86 51.56 1y2u s ASN 115 Cb -0.03 -0.03 0.01 0.00 -2.00 0.00 0.00 41.25 39.20 1y2u s ASN 115 CO -0.01 -0.03 0.22 0.54 -2.94 0.00 0.00 177.10 174.88 1y2u s VAL 116 N -0.54 0.11 0.05 3.54 0.11 -0.48 -5.00 120.40 118.18 1y2u s VAL 116 Ca -0.02 -0.92 0.08 0.00 -2.93 0.00 0.00 61.98 58.19 1y2u s VAL 116 Cb -0.05 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1y2u s VAL 116 CO -0.00 -0.51 -0.23 0.00 -3.33 0.00 0.00 175.10 171.03 1y2u s ALA 117 N -2.96 2.40 0.90 1.54 0.00 -1.26 -0.31 121.76 122.06 1y2u s ALA 117 Ca -0.02 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.57 1y2u s ALA 117 Cb 0.01 -0.58 0.18 0.00 0.00 0.00 0.00 23.12 22.72 1y2u s ALA 117 CO -0.06 0.55 1.24 0.54 0.00 0.00 0.00 175.76 178.03 1y2u s ASN 118 N -1.34 3.46 0.56 0.00 2.20 -0.51 -4.93 114.94 114.39 1y2u s ASN 118 Ca 0.13 0.14 0.24 0.00 -0.94 0.00 0.00 52.86 52.43 1y2u s ASN 118 Cb -0.10 -0.28 1.59 0.00 -2.00 0.00 0.00 41.25 40.46 1y2u s ASN 118 CO 0.03 -2.49 2.21 0.00 -2.94 0.00 0.00 177.10 173.91 1y2u h ALA 119 N -1.35 1.72 -0.00 3.54 0.00 -1.97 -1.24 119.26 119.95 1y2u h ALA 119 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1y2u h ALA 119 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1y2u h ALA 119 CO 0.40 0.00 -0.11 1.63 0.00 0.00 0.00 179.25 181.17 1y2u n LYS 120 N -4.13 0.51 -0.18 0.00 5.02 -1.26 -4.92 118.16 113.20 1y2u n LYS 120 Ca -0.03 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1y2u n LYS 120 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1y2u n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y2u n GLY 121 N 1.32 0.69 3.71 0.72 0.00 -0.47 -5.06 105.19 106.11 1y2u n GLY 121 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1y2u n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y2u s ARG 122 N -0.82 4.53 0.09 1.61 3.52 -1.26 -4.81 118.95 121.82 1y2u s ARG 122 Ca 0.00 1.54 -0.15 0.00 -0.13 0.00 0.00 55.73 56.99 1y2u s ARG 122 Cb 0.00 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 1y2u s ARG 122 CO 0.00 -0.09 0.51 1.03 -0.81 0.00 0.00 175.30 175.94 1y2u s ARG 123 N 0.90 4.00 0.00 5.12 0.52 -1.26 -1.42 118.95 126.81 1y2u s ARG 123 Ca 0.54 0.50 0.05 0.00 -0.52 0.00 0.00 55.73 56.29 1y2u s ARG 123 Cb -0.24 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.15 1y2u s ARG 123 CO 0.29 0.57 -0.15 -0.06 0.02 0.00 0.00 175.30 175.97 1y2u s PHE 124 N -1.30 1.31 -0.02 -0.53 0.40 0.57 -0.04 117.98 118.37 1y2u s PHE 124 Ca 0.32 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.34 1y2u s PHE 124 Cb -0.16 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.54 1y2u s PHE 124 CO 0.18 -0.01 0.09 0.00 0.70 0.00 0.00 175.22 176.18 1y2u s ALA 125 N -0.46 -0.21 -0.12 5.36 0.00 -0.07 -1.39 121.76 124.87 1y2u s ALA 125 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1y2u s ALA 125 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1y2u s ALA 125 CO -0.00 -0.10 -0.16 0.42 0.00 0.00 0.00 175.76 175.92 1y2u s ILE 126 N -0.53 2.82 -0.18 0.00 1.01 0.10 -0.24 121.20 124.17 1y2u s ILE 126 Ca -0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1y2u s ILE 126 Cb -0.04 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.32 1y2u s ILE 126 CO 0.00 0.53 0.00 -1.61 0.00 0.00 0.00 174.94 173.87 1y2u s GLU 127 N 0.32 0.96 0.08 2.79 2.02 -0.43 -1.16 118.70 123.28 1y2u s GLU 127 Ca -0.12 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 1y2u s GLU 127 Cb -0.16 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 31.94 1y2u s GLU 127 CO 0.06 -0.56 1.32 0.71 0.02 0.00 0.00 175.26 176.81 1y2u s TYR 128 N 1.75 3.26 -0.13 1.61 1.51 0.55 -0.47 117.35 125.44 1y2u s TYR 128 Ca -0.01 1.06 0.19 0.00 -1.01 0.00 0.00 57.07 57.31 1y2u s TYR 128 Cb -0.17 -3.58 -0.27 0.00 -0.11 0.00 0.00 41.96 37.84 1y2u s TYR 128 CO -0.07 -1.98 0.34 0.25 -1.11 0.00 0.00 175.55 172.97 1y2u n THR 129 N 4.04 0.85 -4.14 -0.71 -2.24 0.11 -4.76 114.28 107.42 1y2u n THR 129 Ca 0.11 -0.70 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1y2u n THR 129 Cb 0.44 -0.33 -0.16 0.00 -2.10 0.00 0.00 70.33 68.18 1y2u n THR 129 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y2u s VAL 130 N -2.94 1.91 -0.98 2.28 1.01 -0.96 -4.95 120.40 115.78 1y2u s VAL 130 Ca -0.08 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1y2u s VAL 130 Cb 0.09 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1y2u s VAL 130 CO 0.86 0.52 0.68 0.35 0.00 0.00 0.00 175.10 177.51 1y2u n THR 131 N 4.61 0.00 -4.14 3.92 -2.24 -1.26 -2.98 114.28 112.18 1y2u n THR 131 Ca -0.20 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 1y2u n THR 131 Cb 0.50 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 1y2u n THR 131 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y2u s GLU 132 N -1.04 0.76 0.25 -0.78 8.01 -1.26 -4.71 118.70 119.94 1y2u s GLU 132 Ca 0.09 -1.12 0.00 0.00 0.01 0.00 0.00 54.97 53.95 1y2u s GLU 132 Cb 0.07 -0.35 0.00 0.00 -4.31 0.00 0.00 34.13 29.54 1y2u s GLU 132 CO 0.17 0.04 0.00 0.41 0.01 0.00 0.00 175.26 175.89 1y2u n GLY 133 N 0.56 -2.47 0.13 -1.39 0.00 -1.26 -4.62 105.19 96.14 1y2u n GLY 133 Ca -0.16 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.03 1y2u n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y2u h ASP 134 N 0.00 0.00 -4.17 1.61 3.32 -1.94 -3.41 116.42 111.82 1y2u h ASP 134 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1y2u h ASP 134 Cb 0.00 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.17 1y2u h ASP 134 CO 0.00 0.59 -0.51 0.20 -1.72 0.00 0.00 179.24 177.80 1y2u s ASN 135 N -6.50 4.83 0.41 6.45 0.01 -1.26 -1.08 114.94 117.79 1y2u s ASN 135 Ca 0.03 -2.84 -0.06 0.00 -0.71 0.00 0.00 52.86 49.28 1y2u s ASN 135 Cb 0.08 -1.75 -0.05 0.00 0.41 0.00 0.00 41.25 39.94 1y2u s ASN 135 CO 0.76 -0.32 0.72 -0.76 -1.51 0.00 0.00 177.10 175.98 1y2u s LEU 136 N -0.04 3.81 -0.01 0.60 1.43 0.78 -4.96 118.68 120.30 1y2u s LEU 136 Ca 0.16 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 1y2u s LEU 136 Cb -0.23 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.19 1y2u s LEU 136 CO -0.02 -0.42 -0.01 -0.54 0.23 0.00 0.00 176.35 175.58 1y2u s LYS 137 N -4.20 0.19 -0.02 1.70 1.02 -1.16 -1.23 119.74 116.05 1y2u s LYS 137 Ca 0.47 -0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.39 1y2u s LYS 137 Cb -0.10 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1y2u s LYS 137 CO 0.37 -0.00 0.09 0.00 -0.92 0.00 0.00 175.35 174.89 1y2u s ALA 138 N 0.24 -0.21 -0.08 5.17 0.00 -0.12 0.07 121.76 126.83 1y2u s ALA 138 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 1y2u s ALA 138 Cb -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1y2u s ALA 138 CO -0.01 -0.12 0.42 -0.80 0.00 0.00 0.00 175.76 175.25 1y2u s ASN 139 N -0.69 6.69 -0.32 0.00 0.02 0.38 -1.30 114.94 119.72 1y2u s ASN 139 Ca -0.08 0.82 -0.08 0.00 -1.02 0.00 0.00 52.86 52.51 1y2u s ASN 139 Cb -0.05 -2.26 0.02 0.00 0.02 0.00 0.00 41.25 38.98 1y2u s ASN 139 CO 0.00 0.14 0.11 -0.22 0.02 0.00 0.00 177.10 177.16 1y2u s LEU 140 N -0.05 4.10 -0.23 0.60 2.96 0.87 -1.32 118.68 125.61 1y2u s LEU 140 Ca 0.23 -0.81 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 1y2u s LEU 140 Cb -0.15 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1y2u s LEU 140 CO 0.10 -0.25 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.25 1y2u s ILE 141 N 1.51 3.71 -0.30 6.68 1.01 0.66 -0.18 121.20 134.29 1y2u s ILE 141 Ca 0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1y2u s ILE 141 Cb -0.18 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1y2u s ILE 141 CO 0.04 0.40 0.20 -0.63 0.00 0.00 0.00 174.94 174.94 1y2u s ILE 142 N 1.48 5.24 -2.23 2.92 1.01 0.78 -0.89 121.20 129.51 1y2u s ILE 142 Ca 0.06 0.03 0.30 0.00 0.00 0.00 0.00 60.65 61.04 1y2u s ILE 142 Cb -0.15 -3.55 0.74 0.00 0.01 0.00 0.00 42.46 39.51 1y2u s ILE 142 CO -0.01 0.18 2.00 0.61 0.00 0.00 0.00 174.94 177.72