#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 3.07 0.04 -1.42 1.51 -0.57 -4.84 117.35 115.14 1y2u s TYR 3 Ca 0.00 0.05 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 1y2u s TYR 3 Cb 0.00 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1y2u s TYR 3 CO 0.00 0.48 -0.25 0.95 -1.11 0.00 0.00 175.55 175.62 1y2u s THR 4 N -1.20 2.04 -0.24 -0.71 -4.23 0.37 -0.77 115.64 110.91 1y2u s THR 4 Ca 0.23 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1y2u s THR 4 Cb -0.12 -1.74 0.05 0.00 1.34 0.00 0.00 72.50 72.03 1y2u s THR 4 CO 0.14 0.37 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.84 1y2u s ILE 5 N -0.77 2.02 -0.21 2.99 1.01 0.65 -0.45 121.20 126.44 1y2u s ILE 5 Ca 0.11 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.23 1y2u s ILE 5 Cb -0.10 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1y2u s ILE 5 CO 0.02 0.09 0.25 -0.44 0.00 0.00 0.00 174.94 174.86 1y2u s SER 6 N 1.20 6.28 -0.14 3.58 0.01 0.00 -0.94 113.70 123.69 1y2u s SER 6 Ca -0.05 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.54 1y2u s SER 6 Cb -0.18 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1y2u s SER 6 CO -0.07 0.04 -0.19 -0.63 0.41 0.00 0.00 173.24 172.80 1y2u s ILE 7 N 0.97 2.33 -0.24 1.44 1.01 0.98 -0.64 121.20 127.06 1y2u s ILE 7 Ca 0.13 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 1y2u s ILE 7 Cb -0.14 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1y2u s ILE 7 CO 0.05 0.53 0.11 -0.13 0.00 0.00 0.00 174.94 175.51 1y2u s ARG 8 N 0.79 3.89 -0.21 2.79 0.52 -0.28 -1.45 118.95 124.99 1y2u s ARG 8 Ca -0.07 -0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 54.64 1y2u s ARG 8 Cb -0.16 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1y2u s ARG 8 CO -0.01 -0.01 0.32 0.08 0.02 0.00 0.00 175.30 175.70 1y2u s VAL 9 N 1.20 5.25 -0.20 3.52 1.01 -1.26 -0.19 120.40 129.73 1y2u s VAL 9 Ca 0.06 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1y2u s VAL 9 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1y2u s VAL 9 CO 0.05 0.28 -0.11 -0.31 0.00 0.00 0.00 175.10 175.01 1y2u s TYR 10 N 1.22 2.88 -0.35 5.22 1.51 0.64 -4.96 117.35 123.51 1y2u s TYR 10 Ca 0.15 -1.18 -0.09 0.00 -1.01 0.00 0.00 57.07 54.94 1y2u s TYR 10 Cb -0.14 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1y2u s TYR 10 CO 0.07 -0.62 0.15 -1.14 -1.11 0.00 0.00 175.55 172.89 1y2u s GLN 11 N 1.34 2.77 0.08 -0.62 0.74 -1.26 0.43 119.66 123.13 1y2u s GLN 11 Ca 0.04 -1.10 0.22 0.00 0.05 0.00 0.00 55.36 54.58 1y2u s GLN 11 Cb -0.14 -3.58 -0.09 0.00 1.10 0.00 0.00 33.01 30.30 1y2u s GLN 11 CO -0.06 -0.66 0.87 0.25 -0.55 0.00 0.00 175.29 175.14 1y2u n THR 12 N 4.91 0.27 -4.78 -0.34 -2.24 -0.48 -4.86 114.28 106.75 1y2u n THR 12 Ca -0.12 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 60.98 1y2u n THR 12 Cb 0.46 -0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 1y2u n THR 12 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1y2u s THR 13 N -3.34 1.35 -1.20 4.28 -4.23 -1.26 -5.01 115.64 106.22 1y2u s THR 13 Ca -0.01 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1y2u s THR 13 Cb 0.13 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1y2u s THR 13 CO 0.83 0.39 0.33 -0.81 -0.54 0.00 0.00 174.62 174.82 1y2u n PRO 14 N 3.14 0.55 -3.27 3.99 -0.04 -1.26 -4.67 135.00 133.45 1y2u n PRO 14 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 1y2u n PRO 14 Cb 0.53 -1.22 -0.08 0.00 -0.04 0.00 0.00 33.50 32.69 1y2u n PRO 14 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1y2u s LYS 15 N -1.20 3.12 0.10 0.54 1.02 -1.26 -4.89 119.74 117.16 1y2u s LYS 15 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1y2u s LYS 15 Cb 0.00 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 1y2u s LYS 15 CO 0.00 -0.94 0.00 0.41 -0.92 0.00 0.00 175.35 173.90 1y2u n GLY 16 N 5.12 -1.80 2.93 -3.33 0.00 -1.26 -4.97 105.19 101.87 1y2u n GLY 16 Ca -0.07 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.85 -0.44 -0.19 1.61 5.36 -1.26 -5.03 117.98 116.18 1y2u s PHE 17 Ca 0.00 0.76 -0.17 0.00 -0.96 0.00 0.00 56.93 56.56 1y2u s PHE 17 Cb 0.00 -0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.53 1y2u s PHE 17 CO 0.00 -0.47 0.47 -0.06 -1.46 0.00 0.00 175.22 173.70 1y2u s PHE 18 N 2.41 3.40 0.12 10.12 0.40 -1.26 -3.96 117.98 129.21 1y2u s PHE 18 Ca 0.04 0.74 0.10 0.00 -0.60 0.00 0.00 56.93 57.21 1y2u s PHE 18 Cb -0.13 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1y2u s PHE 18 CO -0.10 -0.02 -0.23 -0.98 0.70 0.00 0.00 175.22 174.58 1y2u s ARG 19 N 1.34 1.58 0.27 0.44 1.70 -0.29 -4.87 118.95 119.11 1y2u s ARG 19 Ca 0.23 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 1y2u s ARG 19 Cb -0.15 -2.00 -0.10 0.00 -0.57 0.00 0.00 34.95 32.14 1y2u s ARG 19 CO 0.09 0.46 1.27 -1.25 -1.08 0.00 0.00 175.30 174.80 1y2u s PRO 20 N -2.08 4.42 0.00 3.89 0.04 -1.26 -1.32 135.00 138.69 1y2u s PRO 20 Ca 0.16 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1y2u s PRO 20 Cb -0.10 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1y2u s PRO 20 CO 0.08 -0.14 0.00 1.33 0.04 0.00 0.00 177.00 178.30 1y2u n VAL 21 N 1.61 0.00 -3.63 -0.36 0.24 -0.41 -4.91 118.33 110.87 1y2u n VAL 21 Ca 0.02 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1y2u n VAL 21 Cb 0.43 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.39 0.48 -0.09 7.34 2.12 -1.22 -4.98 118.70 121.96 1y2u s GLU 22 Ca 0.00 0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.77 1y2u s GLU 22 Cb 0.00 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.67 1y2u s GLU 22 CO 0.00 -0.08 0.18 -0.98 -0.54 0.00 0.00 175.26 173.85 1y2u s ARG 23 N -0.02 0.09 0.21 4.30 1.70 -1.26 -1.57 118.95 122.40 1y2u s ARG 23 Ca 0.03 0.53 0.10 0.00 -0.47 0.00 0.00 55.73 55.92 1y2u s ARG 23 Cb -0.04 -0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.11 1y2u s ARG 23 CO -0.06 -0.24 -0.19 0.95 -1.08 0.00 0.00 175.30 174.68 1y2u s THR 24 N 1.86 2.05 -0.09 4.99 -4.23 -0.41 -4.97 115.64 114.84 1y2u s THR 24 Ca -0.02 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1y2u s THR 24 Cb -0.12 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.70 1y2u s THR 24 CO -0.07 -0.36 -0.13 0.20 -0.54 0.00 0.00 174.62 173.72 1y2u s ASN 25 N -3.01 2.10 0.66 3.99 0.01 -1.26 -1.77 114.94 115.66 1y2u s ASN 25 Ca 0.21 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 51.88 1y2u s ASN 25 Cb -0.05 -0.93 -0.01 0.00 0.41 0.00 0.00 41.25 40.68 1y2u s ASN 25 CO 0.09 0.00 1.07 0.86 -1.51 0.00 0.00 177.10 177.61 1y2u s TRP 26 N 0.96 2.93 -0.63 2.20 -0.00 -0.40 -4.93 118.94 119.07 1y2u s TRP 26 Ca -0.08 1.49 0.24 0.00 -0.00 0.00 0.00 56.10 57.75 1y2u s TRP 26 Cb -0.15 -2.99 0.28 0.00 -0.00 0.00 0.00 33.47 30.61 1y2u s TRP 26 CO -0.00 -1.31 1.25 0.36 -0.00 0.00 0.00 176.95 177.25 1y2u n LYS 27 N -2.62 0.29 -1.17 5.86 2.85 -1.26 -4.22 118.16 117.89 1y2u n LYS 27 Ca 0.09 0.07 -0.30 0.00 -1.05 0.00 0.00 58.31 57.11 1y2u n LYS 27 Cb 0.53 -1.67 0.13 0.00 -0.65 0.00 0.00 35.03 33.37 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 -3.18 2.32 -1.46 5.58 4.12 -1.26 -3.18 117.35 120.29 1y2u s TYR 28 Ca 0.06 1.36 -0.07 0.00 0.02 0.00 0.00 57.07 58.44 1y2u s TYR 28 Cb 0.14 -3.14 0.05 0.00 -1.52 0.00 0.00 41.96 37.49 1y2u s TYR 28 CO 0.74 -2.31 0.76 0.00 0.02 0.00 0.00 175.55 174.77 1y2u n ALA 29 N -3.84 -1.65 -1.82 3.71 0.00 -1.26 -0.92 120.51 114.73 1y2u n ALA 29 Ca 0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1y2u n ALA 29 Cb 0.54 -3.00 -0.05 0.00 0.00 0.00 0.00 19.45 16.95 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 -2.91 -5.05 0.00 0.00 3.02 -1.26 -3.11 115.26 105.95 1y2u n ASN 30 Ca -0.13 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1y2u n ASN 30 Cb 0.60 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.93 0.73 0.00 7.41 0.00 -0.09 -4.60 105.19 107.71 1y2u n GLY 31 Ca -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.67 3.16 -0.02 0.00 -1.26 -2.59 105.19 103.81 1y2u n GLY 32 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 0.53 -0.14 2.61 -4.23 0.34 -4.87 115.64 107.88 1y2u s THR 33 Ca 0.00 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1y2u s THR 33 Cb 0.00 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 1y2u s THR 33 CO 0.00 -0.83 -0.10 0.26 -0.54 0.00 0.00 174.62 173.41 1y2u s TRP 34 N -3.73 2.87 0.07 3.99 0.52 -1.26 -0.92 118.94 120.48 1y2u s TRP 34 Ca 0.13 -0.57 0.07 0.00 0.02 0.00 0.00 56.10 55.76 1y2u s TRP 34 Cb 0.06 -1.88 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1y2u s TRP 34 CO -0.05 -0.18 -0.20 -0.51 0.02 0.00 0.00 176.95 176.04 1y2u s ASP 35 N 0.39 2.36 -0.22 2.95 1.01 0.50 -4.96 116.67 118.70 1y2u s ASP 35 Ca -0.09 -0.60 -0.18 0.00 0.71 0.00 0.00 52.55 52.39 1y2u s ASP 35 Cb -0.15 -0.15 -0.03 0.00 1.01 0.00 0.00 42.92 43.59 1y2u s ASP 35 CO 0.05 0.08 0.49 -1.61 0.21 0.00 0.00 175.17 174.38 1y2u s GLU 36 N -1.58 4.14 -0.12 8.23 2.02 -1.26 0.54 118.70 130.66 1y2u s GLU 36 Ca 0.06 0.33 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 1y2u s GLU 36 Cb -0.09 -3.59 0.05 0.00 0.10 0.00 0.00 34.13 30.59 1y2u s GLU 36 CO 0.03 -0.20 0.04 0.08 0.02 0.00 0.00 175.26 175.23 1y2u s VAL 37 N 1.83 0.22 -1.51 2.63 1.01 -0.17 -4.88 120.40 119.53 1y2u s VAL 37 Ca 0.22 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1y2u s VAL 37 Cb -0.15 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.68 1y2u s VAL 37 CO 0.09 -0.02 0.85 0.54 0.00 0.00 0.00 175.10 176.56 1y2u n ARG 38 N 5.18 -4.83 -0.90 2.72 1.74 -1.26 -1.13 116.66 118.18 1y2u n ARG 38 Ca -0.07 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1y2u n ARG 38 Cb 0.49 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 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 0.77 3.57 -0.13 0.00 -1.26 -5.04 105.19 101.44 1y2u n GLY 39 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.10 2.04 -0.24 1.61 2.02 -0.28 -4.79 118.70 118.96 1y2u s GLU 40 Ca 0.00 -1.33 -0.15 0.00 0.02 0.00 0.00 54.97 53.51 1y2u s GLU 40 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1y2u s GLU 40 CO 0.00 0.42 0.38 0.71 0.02 0.00 0.00 175.26 176.79 1y2u s TYR 41 N -1.83 3.31 -0.25 1.61 1.51 -0.53 -1.00 117.35 120.18 1y2u s TYR 41 Ca 0.26 0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 56.81 1y2u s TYR 41 Cb -0.08 -2.55 0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1y2u s TYR 41 CO 0.15 -0.12 -0.06 0.08 -1.11 0.00 0.00 175.55 174.50 1y2u s VAL 42 N 1.69 2.91 -0.30 0.71 1.01 0.19 -0.01 120.40 126.59 1y2u s VAL 42 Ca 0.17 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1y2u s VAL 42 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1y2u s VAL 42 CO 0.09 0.21 0.45 -0.22 0.00 0.00 0.00 175.10 175.63 1y2u s LEU 43 N 1.34 4.19 -0.15 3.92 2.96 -0.11 -0.37 118.68 130.45 1y2u s LEU 43 Ca 0.01 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1y2u s LEU 43 Cb -0.16 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 1y2u s LEU 43 CO -0.04 -0.32 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.76 1y2u s THR 44 N 2.22 4.11 0.02 3.68 2.01 -0.10 -0.25 115.64 127.34 1y2u s THR 44 Ca 0.17 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1y2u s THR 44 Cb -0.16 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1y2u s THR 44 CO 0.11 0.51 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.37 1y2u s MET 45 N 0.15 0.99 0.00 4.92 -1.94 0.05 -0.51 119.30 122.97 1y2u s MET 45 Ca -0.00 -0.68 0.09 0.00 -1.71 0.00 0.00 55.69 53.39 1y2u s MET 45 Cb -0.13 -0.98 0.55 0.00 2.01 0.00 0.00 34.83 36.27 1y2u s MET 45 CO 0.02 0.25 1.36 0.41 -0.01 0.00 0.00 175.02 177.05 1y2u n GLY 46 N 2.15 -0.97 0.00 -0.03 0.00 -1.07 -1.51 105.19 103.76 1y2u n GLY 46 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.66 -1.83 3.77 -0.02 0.00 -1.20 -4.47 105.19 102.10 1y2u n GLY 47 Ca 0.07 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.40 7.43 0.00 1.61 0.15 -1.26 -4.41 113.70 114.82 1y2u s SER 48 Ca 0.00 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.42 1y2u s SER 48 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1y2u s SER 48 CO 0.00 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1y2u n GLY 49 N 1.25 1.27 0.70 9.45 0.00 0.68 -4.70 105.19 113.83 1y2u n GLY 49 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.33 0.00 -3.78 2.61 5.66 -1.21 -4.69 114.28 112.53 1y2u n THR 50 Ca 0.00 -0.49 -0.04 0.00 -3.05 0.00 0.00 64.05 60.47 1y2u n THR 50 Cb 0.00 0.17 -0.01 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.52 -0.14 0.03 1.09 1.04 -1.26 -2.18 113.70 110.76 1y2u s SER 51 Ca 0.04 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 1y2u s SER 51 Cb 0.00 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1y2u s SER 51 CO 0.03 -0.96 0.12 -0.83 0.98 0.00 0.00 173.24 172.58 1y2u s GLY 52 N -3.03 0.12 0.10 7.32 0.00 -0.12 -1.27 107.32 110.43 1y2u s GLY 52 Ca 0.14 -0.43 0.09 0.00 0.00 0.00 0.00 44.72 44.52 1y2u s GLY 52 CO 0.03 -0.58 -0.23 -0.56 0.00 0.00 0.00 173.10 171.77 1y2u s SER 53 N -2.01 2.76 -0.07 1.64 0.01 -0.73 -1.41 113.70 113.89 1y2u s SER 53 Ca -0.06 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 56.57 1y2u s SER 53 Cb -0.02 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 1y2u s SER 53 CO -0.04 0.11 -0.21 -0.76 0.41 0.00 0.00 173.24 172.75 1y2u s LEU 54 N -1.81 1.99 -0.10 2.44 1.43 0.38 -1.28 118.68 121.73 1y2u s LEU 54 Ca 0.09 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1y2u s LEU 54 Cb -0.10 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1y2u s LEU 54 CO 0.04 0.17 -0.04 -0.60 0.23 0.00 0.00 176.35 176.16 1y2u s ARG 55 N 0.13 3.11 0.03 1.70 3.52 -0.61 -0.39 118.95 126.43 1y2u s ARG 55 Ca -0.10 -0.50 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1y2u s ARG 55 Cb -0.15 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1y2u s ARG 55 CO 0.05 0.54 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.81 1y2u s PHE 56 N -0.46 1.88 -0.04 5.12 0.40 -0.59 -1.29 117.98 123.00 1y2u s PHE 56 Ca 0.07 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1y2u s PHE 56 Cb -0.12 -1.15 0.01 0.00 0.51 0.00 0.00 43.02 42.27 1y2u s PHE 56 CO 0.02 0.06 -0.10 0.08 0.70 0.00 0.00 175.22 175.98 1y2u s VAL 57 N -0.71 0.92 -0.48 -0.44 1.01 -0.43 -1.94 120.40 118.33 1y2u s VAL 57 Ca 0.08 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1y2u s VAL 57 Cb -0.09 -0.83 0.12 0.00 0.00 0.00 0.00 36.38 35.59 1y2u s VAL 57 CO 0.01 0.29 0.30 -0.55 0.00 0.00 0.00 175.10 175.15 1y2u s SER 58 N 0.36 5.43 0.41 3.32 0.15 0.75 -1.14 113.70 122.98 1y2u s SER 58 Ca -0.07 -2.16 0.22 0.00 0.70 0.00 0.00 55.95 54.65 1y2u s SER 58 Cb -0.11 -1.90 0.76 0.00 -1.71 0.00 0.00 66.02 63.06 1y2u s SER 58 CO 0.01 -0.56 1.76 0.77 1.20 0.00 0.00 173.24 176.42 1y2u h SER 59 N 7.99 0.00 -0.84 5.45 4.64 -1.80 -0.45 113.55 128.54 1y2u h SER 59 Ca -0.13 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1y2u h SER 59 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1y2u h SER 59 CO 0.75 0.26 0.55 0.44 -0.87 0.00 0.00 176.83 177.96 1y2u h ASP 60 N 0.00 0.84 0.00 4.97 5.19 -1.93 -3.26 116.42 122.23 1y2u h ASP 60 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1y2u h ASP 60 Cb 0.86 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1y2u h ASP 60 CO 0.03 0.56 0.00 0.35 -3.12 0.00 0.00 179.24 177.06 1y2u n THR 61 N -4.47 0.83 -3.92 0.35 -2.24 -1.10 -5.02 114.28 98.71 1y2u n THR 61 Ca 0.12 -0.85 -0.27 0.00 -2.27 0.00 0.00 64.05 60.78 1y2u n THR 61 Cb 0.17 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.42 -1.14 -4.40 3.42 4.64 -0.28 -5.00 116.55 113.37 1y2u n ASP 62 Ca 0.00 -1.02 -0.25 0.00 -1.38 0.00 0.00 54.79 52.14 1y2u n ASP 62 Cb 0.27 -3.03 -0.11 0.00 -1.04 0.00 0.00 41.12 37.21 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 -6.51 1.47 0.10 -0.67 2.02 -0.61 -5.01 118.70 109.48 1y2u s GLU 63 Ca 0.09 -1.53 -0.26 0.00 0.02 0.00 0.00 54.97 53.29 1y2u s GLU 63 Cb -0.03 -1.67 0.08 0.00 0.10 0.00 0.00 34.13 32.60 1y2u s GLU 63 CO 0.89 0.35 0.79 -1.54 0.02 0.00 0.00 175.26 175.76 1y2u s SER 64 N -2.82 -0.40 0.06 -0.19 1.04 -1.26 -0.18 113.70 109.96 1y2u s SER 64 Ca 0.21 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.28 1y2u s SER 64 Cb -0.07 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.62 1y2u s SER 64 CO 0.10 -0.84 0.60 0.72 0.98 0.00 0.00 173.24 174.80 1y2u s PHE 65 N -3.42 -0.54 -0.17 5.02 -0.12 -0.82 -4.17 117.98 113.76 1y2u s PHE 65 Ca 0.05 0.62 -0.00 0.00 -0.05 0.00 0.00 56.93 57.55 1y2u s PHE 65 Cb -0.01 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1y2u s PHE 65 CO -0.07 -0.72 -0.15 0.08 -0.05 0.00 0.00 175.22 174.31 1y2u s VAL 66 N -2.59 2.63 -0.19 -2.49 1.01 0.23 -1.54 120.40 117.47 1y2u s VAL 66 Ca -0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1y2u s VAL 66 Cb -0.01 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1y2u s VAL 66 CO -0.03 0.51 0.03 0.00 0.00 0.00 0.00 175.10 175.61 1y2u s ALA 67 N 0.99 3.21 -0.04 5.51 0.00 0.48 -0.88 121.76 131.04 1y2u s ALA 67 Ca -0.02 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1y2u s ALA 67 Cb -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1y2u s ALA 67 CO -0.03 0.04 -0.22 0.99 0.00 0.00 0.00 175.76 176.55 1y2u s THR 68 N 0.64 2.41 0.00 0.00 2.01 0.19 -0.47 115.64 120.41 1y2u s THR 68 Ca 0.01 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1y2u s THR 68 Cb -0.14 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1y2u s THR 68 CO 0.02 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.08 1y2u s PHE 69 N -0.56 0.82 0.07 4.92 0.40 -0.50 -1.49 117.98 121.64 1y2u s PHE 69 Ca 0.08 -0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1y2u s PHE 69 Cb -0.11 -0.52 0.03 0.00 0.51 0.00 0.00 43.02 42.94 1y2u s PHE 69 CO 0.00 -0.01 0.45 0.41 0.70 0.00 0.00 175.22 176.77 1y2u n GLY 70 N 2.66 0.98 2.98 4.36 0.00 -0.81 -0.95 105.19 114.41 1y2u n GLY 70 Ca -0.15 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.34 1.13 -0.16 1.61 1.01 -0.93 -0.44 120.40 120.29 1y2u s VAL 71 Ca 0.10 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1y2u s VAL 71 Cb -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1y2u s VAL 71 CO 0.02 0.37 -0.19 -2.28 0.00 0.00 0.00 175.10 173.02 1y2u s HIS 72 N 1.13 2.58 -1.43 5.22 5.04 0.81 -0.23 115.29 128.41 1y2u s HIS 72 Ca -0.05 -1.43 -0.00 0.00 -1.54 0.00 0.00 55.06 52.03 1y2u s HIS 72 Cb -0.14 -1.79 0.00 0.00 0.04 0.00 0.00 32.58 30.68 1y2u s HIS 72 CO -0.02 -0.70 0.34 0.09 -2.34 0.00 0.00 174.74 172.11 1y2u n ASN 73 N 4.46 -0.14 -0.45 9.88 3.02 -1.26 -1.59 115.26 129.19 1y2u n ASN 73 Ca -0.20 -1.06 -0.06 0.00 -0.03 0.00 0.00 54.58 53.23 1y2u n ASN 73 Cb 0.51 -2.78 -0.03 0.00 -0.61 0.00 0.00 39.78 36.87 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 -4.44 0.00 -4.94 3.10 4.02 -1.26 -4.99 117.16 108.65 1y2u n TYR 74 Ca -0.31 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.30 1y2u n TYR 74 Cb 0.69 -1.81 -0.16 0.00 -0.02 0.00 0.00 39.34 38.04 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 -2.10 2.00 0.64 -0.72 1.02 -0.62 -5.00 119.74 114.95 1y2u s LYS 75 Ca 0.00 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.14 1y2u s LYS 75 Cb 0.00 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 1y2u s LYS 75 CO 0.00 0.26 1.21 -0.98 -0.92 0.00 0.00 175.35 174.93 1y2u s ARG 76 N 0.02 2.72 0.16 1.68 3.03 -1.26 -0.13 118.95 125.17 1y2u s ARG 76 Ca -0.05 1.82 -0.01 0.00 2.03 0.00 0.00 55.73 59.52 1y2u s ARG 76 Cb -0.12 -1.90 -0.04 0.00 -1.03 0.00 0.00 34.95 31.86 1y2u s ARG 76 CO 0.03 -1.40 0.09 1.67 -1.13 0.00 0.00 175.30 174.55 1y2u s TRP 77 N -1.70 1.00 0.06 5.89 1.48 0.42 -3.74 118.94 122.35 1y2u s TRP 77 Ca 0.77 -1.30 -0.24 0.00 -1.06 0.00 0.00 56.10 54.27 1y2u s TRP 77 Cb -0.31 -0.52 0.06 0.00 -1.16 0.00 0.00 33.47 31.55 1y2u s TRP 77 CO 0.37 -0.57 0.57 0.00 -4.06 0.00 0.00 176.95 173.26 1y2u s ASP 79 N -2.08 -0.18 -0.04 0.00 3.68 -0.55 -4.75 116.67 112.74 1y2u s ASP 79 Ca -0.04 -0.32 0.03 0.00 2.13 0.00 0.00 52.55 54.35 1y2u s ASP 79 Cb -0.00 0.44 0.00 0.00 -1.45 0.00 0.00 42.92 41.91 1y2u s ASP 79 CO -0.03 -0.79 -0.13 -0.63 0.13 0.00 0.00 175.17 173.72 1y2u s ILE 80 N -3.54 1.13 -0.12 4.11 1.01 -1.26 -0.64 121.20 121.89 1y2u s ILE 80 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1y2u s ILE 80 Cb 0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1y2u s ILE 80 CO -0.10 0.34 -0.18 -0.69 0.00 0.00 0.00 174.94 174.31 1y2u s VAL 81 N 0.26 2.58 0.00 2.92 1.01 -0.05 -4.88 120.40 122.23 1y2u s VAL 81 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1y2u s VAL 81 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1y2u s VAL 81 CO 0.02 0.54 0.00 1.07 0.00 0.00 0.00 175.10 176.73 1y2u n THR 82 N 3.52 0.00 -3.70 3.92 5.66 -1.26 -0.60 114.28 121.81 1y2u n THR 82 Ca -0.19 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.54 1y2u n THR 82 Cb 0.53 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.91 -5.09 -4.76 1.09 3.02 -1.26 -4.90 115.26 102.46 1y2u n ASN 83 Ca 0.00 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.50 1y2u n ASN 83 Cb 0.00 -4.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.07 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 -7.13 4.43 0.75 3.41 1.43 -1.26 -5.03 118.68 115.27 1y2u s LEU 84 Ca 0.58 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 56.17 1y2u s LEU 84 Cb -0.29 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.34 1y2u s LEU 84 CO 0.72 -0.54 1.10 0.42 0.23 0.00 0.00 176.35 178.28 1y2u s THR 85 N -0.70 3.21 0.47 5.49 -4.23 -1.26 -4.96 115.64 113.66 1y2u s THR 85 Ca 0.52 0.39 0.40 0.00 -1.18 0.00 0.00 61.69 61.82 1y2u s THR 85 Cb -0.39 -3.28 0.42 0.00 1.34 0.00 0.00 72.50 70.59 1y2u s THR 85 CO 0.48 -0.51 2.23 0.78 -0.54 0.00 0.00 174.62 177.06 1y2u h ASN 86 N -0.87 0.00 0.61 3.99 -0.26 -2.04 -1.62 115.58 115.39 1y2u h ASN 86 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 1y2u h ASN 86 Cb 1.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 1y2u h ASN 86 CO 0.62 0.01 -0.17 -0.62 -1.06 0.00 0.00 177.43 176.21 1y2u n GLU 87 N -3.12 0.29 -2.93 0.81 4.71 -1.26 -4.47 120.64 114.68 1y2u n GLU 87 Ca -0.02 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.16 56.61 1y2u n GLU 87 Cb 0.16 -1.50 0.01 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 -1.27 4.35 -1.68 3.49 6.02 -0.61 -4.85 117.38 122.82 1y2u n GLN 88 Ca 0.10 -4.42 -0.29 0.00 -0.01 0.00 0.00 57.00 52.38 1y2u n GLN 88 Cb 0.31 -2.57 0.10 0.00 1.02 0.00 0.00 30.24 29.11 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 -2.33 2.38 0.34 5.09 -4.23 -1.26 -4.80 115.64 110.83 1y2u s THR 89 Ca 0.32 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1y2u s THR 89 Cb 0.05 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 71.16 1y2u s THR 89 CO 0.09 -0.16 1.98 0.00 -0.54 0.00 0.00 174.62 175.99 1y2u h ALA 90 N -1.20 1.50 -0.55 3.99 0.00 -1.94 -0.86 119.26 120.20 1y2u h ALA 90 Ca -0.48 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.45 1y2u h ALA 90 Cb 1.31 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1y2u h ALA 90 CO 0.63 0.43 0.13 1.25 0.00 0.00 0.00 179.25 181.68 1y2u h LEU 91 N 0.81 0.03 0.19 0.00 6.46 -1.96 0.15 115.31 121.00 1y2u h LEU 91 Ca 0.21 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1y2u h LEU 91 Cb -0.01 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1y2u h LEU 91 CO -0.04 0.04 -0.09 0.58 -0.62 0.00 0.00 178.44 178.30 1y2u h VAL 92 N 0.27 0.90 -0.51 1.05 2.07 -1.71 -3.27 116.25 115.04 1y2u h VAL 92 Ca 0.28 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1y2u h VAL 92 Cb 0.39 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1y2u h VAL 92 CO -0.35 0.16 0.21 0.40 0.02 0.00 0.00 177.57 178.01 1y2u h ILE 93 N -0.63 1.21 -0.72 4.57 1.08 -0.90 -2.83 117.51 119.29 1y2u h ILE 93 Ca -0.03 -0.64 0.15 0.00 -0.39 0.00 0.00 64.86 63.95 1y2u h ILE 93 Cb 0.46 0.69 -0.10 0.00 -3.07 0.00 0.00 36.82 34.79 1y2u h ILE 93 CO 0.04 0.25 0.21 -1.13 -0.69 0.00 0.00 178.15 176.83 1y2u h ASN 94 N 0.68 0.10 0.66 1.72 -0.00 -0.82 -2.02 115.58 115.90 1y2u h ASN 94 Ca 0.17 0.13 -0.08 0.00 -0.00 0.00 0.00 56.30 56.52 1y2u h ASN 94 Cb 0.18 0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1y2u h ASN 94 CO -0.02 0.02 -0.36 1.56 -0.00 0.00 0.00 177.43 178.63 1y2u h GLN 95 N 0.32 0.00 0.00 6.67 4.20 -1.55 -3.14 115.11 121.61 1y2u h GLN 95 Ca 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 1y2u h GLN 95 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1y2u h GLN 95 CO -0.46 0.36 -0.00 0.93 -0.67 0.00 0.00 178.83 179.00 1y2u h GLU 96 N 0.00 0.00 0.00 1.46 5.08 -1.25 -1.69 114.58 118.18 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 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1y2u h GLU 96 CO 0.05 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 1y2u n TYR 97 N -3.09 0.00 -2.74 4.33 4.02 -1.19 -1.80 117.16 116.69 1y2u n TYR 97 Ca -0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.72 1y2u n TYR 97 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.54 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 -0.73 1.75 0.00 -0.72 4.02 -0.64 -4.36 117.16 116.48 1y2u n TYR 98 Ca 0.09 -3.16 0.00 0.00 -0.01 0.00 0.00 57.90 54.82 1y2u n TYR 98 Cb 0.04 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 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 -0.11 0.54 3.58 2.72 0.00 -1.23 -5.10 105.19 105.60 1y2u n GLY 99 Ca 0.21 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 4.98 0.25 1.61 1.01 -0.74 -4.98 120.40 122.52 1y2u s VAL 100 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1y2u s VAL 100 Cb 0.00 -3.97 0.24 0.00 0.00 0.00 0.00 36.38 32.65 1y2u s VAL 100 CO 0.00 -0.17 1.67 -0.65 0.00 0.00 0.00 175.10 175.95 1y2u h PRO 101 N 8.33 0.22 -0.16 2.72 0.11 -1.98 0.44 132.00 141.68 1y2u h PRO 101 Ca -0.27 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 1y2u h PRO 101 Cb 1.12 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1y2u h PRO 101 CO 0.78 0.15 -0.29 -0.84 -0.21 0.00 0.00 178.00 177.59 1y2u h ILE 102 N 0.23 1.26 0.09 4.15 3.07 -1.93 -0.49 117.51 123.89 1y2u h ILE 102 Ca 0.42 -1.24 -0.21 0.00 1.55 0.00 0.00 64.86 65.37 1y2u h ILE 102 Cb 0.73 1.46 0.02 0.00 -0.27 0.00 0.00 36.82 38.77 1y2u h ILE 102 CO -0.54 0.38 -0.89 0.03 -1.05 0.00 0.00 178.15 176.07 1y2u h ARG 103 N 0.26 0.45 -0.76 0.16 2.47 -1.39 -2.96 114.38 112.61 1y2u h ARG 103 Ca 0.04 -0.60 0.15 0.00 -1.26 0.00 0.00 59.98 58.31 1y2u h ARG 103 Cb 0.65 0.20 -0.10 0.00 -1.65 0.00 0.00 29.97 29.07 1y2u h ARG 103 CO 0.05 1.25 0.27 -0.44 0.56 0.00 0.00 179.97 181.66 1y2u h ASP 104 N -0.06 0.21 -0.75 7.04 3.32 -0.01 -1.84 116.42 124.34 1y2u h ASP 104 Ca -0.14 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1y2u h ASP 104 Cb 1.63 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.27 1y2u h ASP 104 CO 0.17 0.06 0.34 -0.61 -1.72 0.00 0.00 179.24 177.47 1y2u h GLN 105 N 0.39 1.10 -0.57 3.56 5.75 -1.11 -0.27 115.11 123.97 1y2u h GLN 105 Ca 0.43 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1y2u h GLN 105 Cb 0.69 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 1y2u h GLN 105 CO -0.44 0.88 0.35 0.00 -2.65 0.00 0.00 178.83 176.96 1y2u h ALA 106 N 1.17 0.73 -0.24 3.38 0.00 -1.18 -0.83 119.26 122.29 1y2u h ALA 106 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1y2u h ALA 106 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1y2u h ALA 106 CO -0.03 0.07 0.08 -0.09 0.00 0.00 0.00 179.25 179.29 1y2u h ARG 107 N 0.68 0.36 -0.01 0.00 2.43 -1.07 -2.94 114.38 113.84 1y2u h ARG 107 Ca 0.23 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1y2u h ARG 107 Cb 0.01 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1y2u h ARG 107 CO -0.09 0.43 0.01 0.93 -1.51 0.00 0.00 179.97 179.74 1y2u h GLU 108 N 0.22 0.00 0.00 0.20 5.08 -0.74 -1.93 114.58 117.40 1y2u h GLU 108 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1y2u h GLU 108 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1y2u h GLU 108 CO -0.00 0.00 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.08 1y2u h ASN 109 N 0.00 0.00 -6.54 1.42 2.35 -0.96 -3.47 115.58 108.38 1y2u h ASN 109 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1y2u h ASN 109 Cb 0.02 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 1y2u h ASN 109 CO -0.00 0.01 -0.88 0.00 -1.65 0.00 0.00 177.43 174.92 1y2u n GLN 110 N -3.39 -3.29 -2.57 0.81 6.02 -0.73 -4.88 117.38 109.35 1y2u n GLN 110 Ca -0.03 0.40 -0.38 0.00 -0.01 0.00 0.00 57.00 56.98 1y2u n GLN 110 Cb 0.11 -4.62 -0.05 0.00 1.02 0.00 0.00 30.24 26.70 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 -7.03 4.35 0.06 1.08 1.43 -1.25 -4.73 118.68 112.60 1y2u s LEU 111 Ca 0.13 2.08 0.25 0.00 -1.03 0.00 0.00 54.13 55.56 1y2u s LEU 111 Cb -0.07 -3.92 0.44 0.00 0.03 0.00 0.00 46.19 42.67 1y2u s LEU 111 CO 0.90 -0.26 1.38 0.35 0.23 0.00 0.00 176.35 178.95 1y2u n THR 112 N 0.58 0.19 -3.60 5.49 -2.24 -1.26 -3.91 114.28 109.53 1y2u n THR 112 Ca 0.02 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1y2u n THR 112 Cb 0.48 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 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 -3.66 -0.67 -0.04 3.42 1.04 -1.26 -0.44 113.70 112.09 1y2u s SER 113 Ca 0.08 1.05 -0.22 0.00 0.48 0.00 0.00 55.95 57.35 1y2u s SER 113 Cb 0.15 1.00 0.04 0.00 0.10 0.00 0.00 66.02 67.32 1y2u s SER 113 CO 0.71 -0.40 0.47 -0.47 0.98 0.00 0.00 173.24 174.53 1y2u s TYR 114 N -0.34 -0.40 0.03 5.02 5.04 -0.57 -5.00 117.35 121.13 1y2u s TYR 114 Ca -0.05 0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 55.22 1y2u s TYR 114 Cb -0.03 0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 1y2u s TYR 114 CO 0.05 -0.47 0.07 0.54 -1.34 0.00 0.00 175.55 174.39 1y2u s ASN 115 N -1.18 0.19 -0.08 4.32 2.20 -1.26 -0.97 114.94 118.15 1y2u s ASN 115 Ca -0.12 -0.50 -0.20 0.00 -0.94 0.00 0.00 52.86 51.10 1y2u s ASN 115 Cb -0.03 0.20 0.04 0.00 -2.00 0.00 0.00 41.25 39.46 1y2u s ASN 115 CO 0.06 -0.45 0.47 0.54 -2.94 0.00 0.00 177.10 174.79 1y2u s VAL 116 N -2.25 0.02 0.02 3.54 0.11 -0.81 -5.00 120.40 116.03 1y2u s VAL 116 Ca -0.08 -0.19 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1y2u s VAL 116 Cb -0.03 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1y2u s VAL 116 CO -0.03 -0.10 -0.02 0.00 -3.33 0.00 0.00 175.10 171.62 1y2u s ALA 117 N -0.76 3.20 0.90 1.54 0.00 -1.26 -1.34 121.76 124.04 1y2u s ALA 117 Ca -0.08 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1y2u s ALA 117 Cb -0.03 -1.25 0.16 0.00 0.00 0.00 0.00 23.12 22.00 1y2u s ALA 117 CO 0.05 0.65 1.25 0.54 0.00 0.00 0.00 175.76 178.24 1y2u s ASN 118 N -1.65 3.60 0.44 0.00 2.20 -0.55 -4.91 114.94 114.08 1y2u s ASN 118 Ca 0.20 0.33 0.31 0.00 -0.94 0.00 0.00 52.86 52.76 1y2u s ASN 118 Cb -0.11 -0.53 1.46 0.00 -2.00 0.00 0.00 41.25 40.06 1y2u s ASN 118 CO 0.11 -2.42 1.92 0.00 -2.94 0.00 0.00 177.10 173.77 1y2u h ALA 119 N -1.37 1.00 -0.01 3.54 0.00 -1.97 -2.05 119.26 118.40 1y2u h ALA 119 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1y2u h ALA 119 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y2u h ALA 119 CO 0.45 0.00 -0.09 1.63 0.00 0.00 0.00 179.25 181.24 1y2u n LYS 120 N -2.66 1.02 -0.41 0.00 5.02 -1.26 -4.94 118.16 114.93 1y2u n LYS 120 Ca -0.00 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1y2u n LYS 120 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.23 0.72 3.73 0.72 0.00 -0.77 -5.05 105.19 105.76 1y2u n GLY 121 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.59 4.44 0.04 1.61 3.52 -1.26 -4.86 118.95 121.85 1y2u s ARG 122 Ca 0.00 0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 56.50 1y2u s ARG 122 Cb 0.00 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1y2u s ARG 122 CO 0.00 0.13 0.21 0.50 -0.81 0.00 0.00 175.30 175.33 1y2u s ARG 123 N 0.56 3.46 0.05 5.12 3.52 -1.26 -1.48 118.95 128.92 1y2u s ARG 123 Ca 0.37 -0.35 0.07 0.00 -0.13 0.00 0.00 55.73 55.69 1y2u s ARG 123 Cb -0.18 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1y2u s ARG 123 CO 0.19 0.63 -0.18 -0.06 -0.81 0.00 0.00 175.30 175.07 1y2u s PHE 124 N -1.44 1.59 -0.01 5.12 0.40 -0.45 -0.59 117.98 122.60 1y2u s PHE 124 Ca 0.32 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1y2u s PHE 124 Cb -0.13 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1y2u s PHE 124 CO 0.24 0.09 0.07 0.00 0.70 0.00 0.00 175.22 176.31 1y2u s ALA 125 N -0.89 -0.15 -0.12 5.36 0.00 -0.40 -1.92 121.76 123.64 1y2u s ALA 125 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 1y2u s ALA 125 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1y2u s ALA 125 CO 0.02 -0.09 -0.03 0.42 0.00 0.00 0.00 175.76 176.08 1y2u s ILE 126 N -0.50 3.95 -0.21 0.00 1.01 -0.14 -0.25 121.20 125.07 1y2u s ILE 126 Ca -0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1y2u s ILE 126 Cb -0.04 -2.69 0.06 0.00 0.01 0.00 0.00 42.46 39.81 1y2u s ILE 126 CO 0.00 0.54 0.03 -0.70 0.00 0.00 0.00 174.94 174.81 1y2u s GLU 127 N -0.19 0.81 -0.11 2.79 2.12 0.01 -1.51 118.70 122.61 1y2u s GLU 127 Ca 0.04 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1y2u s GLU 127 Cb -0.13 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.06 1y2u s GLU 127 CO 0.02 -0.66 1.33 0.71 -0.54 0.00 0.00 175.26 176.13 1y2u s TYR 128 N 1.77 2.76 -0.12 5.30 1.51 0.42 0.35 117.35 129.33 1y2u s TYR 128 Ca -0.01 0.88 0.17 0.00 -1.01 0.00 0.00 57.07 57.10 1y2u s TYR 128 Cb -0.17 -3.58 -0.17 0.00 -0.11 0.00 0.00 41.96 37.92 1y2u s TYR 128 CO -0.09 -2.09 0.68 0.25 -1.11 0.00 0.00 175.55 173.20 1y2u n THR 129 N 5.19 1.13 -4.08 -0.71 -2.24 0.31 -4.67 114.28 109.22 1y2u n THR 129 Ca 0.14 -0.70 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 1y2u n THR 129 Cb 0.45 -0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.90 2.01 -1.36 2.28 1.01 -1.07 -4.96 120.40 115.41 1y2u s VAL 130 Ca -0.04 -1.16 0.15 0.00 0.00 0.00 0.00 61.98 60.93 1y2u s VAL 130 Cb 0.09 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1y2u s VAL 130 CO 0.82 0.30 0.82 0.35 0.00 0.00 0.00 175.10 177.39 1y2u n THR 131 N 4.57 0.00 -4.14 3.92 -2.24 -1.26 -2.80 114.28 112.34 1y2u n THR 131 Ca -0.18 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1y2u n THR 131 Cb 0.47 1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 69.76 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 -1.89 0.74 0.16 -0.78 2.02 -1.26 -4.69 118.70 113.00 1y2u s GLU 132 Ca 0.12 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1y2u s GLU 132 Cb 0.12 -0.36 0.00 0.00 0.10 0.00 0.00 34.13 33.99 1y2u s GLU 132 CO 0.41 0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1y2u n GLY 133 N 0.66 -1.85 0.10 -1.39 0.00 -1.26 -4.67 105.19 96.78 1y2u n GLY 133 Ca -0.17 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1y2u n GLY 133 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1y2u h ASP 134 N 0.00 0.00 -3.73 1.61 2.03 -1.93 -3.41 116.42 110.99 1y2u h ASP 134 Ca 0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.62 1y2u h ASP 134 Cb 0.00 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.13 1y2u h ASP 134 CO 0.00 0.65 -0.31 0.20 -1.03 0.00 0.00 179.24 178.75 1y2u s ASN 135 N -6.06 5.38 0.42 4.15 0.01 -1.26 -0.48 114.94 117.11 1y2u s ASN 135 Ca -0.01 -3.34 -0.17 0.00 -0.71 0.00 0.00 52.86 48.63 1y2u s ASN 135 Cb 0.08 -1.83 -0.09 0.00 0.41 0.00 0.00 41.25 39.83 1y2u s ASN 135 CO 0.80 -0.25 0.88 -0.76 -1.51 0.00 0.00 177.10 176.26 1y2u s LEU 136 N -0.77 3.87 -0.01 0.60 1.43 0.41 -4.95 118.68 119.26 1y2u s LEU 136 Ca 0.22 1.48 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1y2u s LEU 136 Cb -0.14 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 1y2u s LEU 136 CO -0.08 -0.39 -0.08 -0.54 0.23 0.00 0.00 176.35 175.49 1y2u s LYS 137 N -3.46 0.67 0.02 1.70 -0.14 -1.12 -0.82 119.74 116.59 1y2u s LYS 137 Ca 0.58 -0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 54.88 1y2u s LYS 137 Cb -0.10 -0.65 -0.02 0.00 -1.68 0.00 0.00 37.83 35.39 1y2u s LYS 137 CO 0.21 0.17 0.00 0.00 -0.76 0.00 0.00 175.35 174.98 1y2u s ALA 138 N -0.18 0.03 -0.17 5.17 0.00 0.19 -0.53 121.76 126.27 1y2u s ALA 138 Ca 0.03 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 1y2u s ALA 138 Cb -0.03 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1y2u s ALA 138 CO -0.00 -0.17 0.21 -0.80 0.00 0.00 0.00 175.76 175.00 1y2u s ASN 139 N -1.45 6.35 -0.37 0.00 0.02 0.16 -1.13 114.94 118.51 1y2u s ASN 139 Ca -0.16 0.40 -0.10 0.00 -1.02 0.00 0.00 52.86 51.98 1y2u s ASN 139 Cb -0.09 -2.13 0.03 0.00 0.02 0.00 0.00 41.25 39.07 1y2u s ASN 139 CO -0.01 0.17 0.19 -0.22 0.02 0.00 0.00 177.10 177.26 1y2u s LEU 140 N 0.21 4.64 -0.24 0.60 2.96 0.73 -0.81 118.68 126.77 1y2u s LEU 140 Ca 0.13 -0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1y2u s LEU 140 Cb -0.12 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1y2u s LEU 140 CO 0.02 -0.37 0.07 -0.63 -1.32 0.00 0.00 176.35 174.12 1y2u s ILE 141 N 1.54 4.38 -0.31 6.68 1.01 0.66 -0.26 121.20 134.90 1y2u s ILE 141 Ca 0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 1y2u s ILE 141 Cb -0.19 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1y2u s ILE 141 CO 0.06 0.35 0.21 -0.63 0.00 0.00 0.00 174.94 174.92 1y2u s ILE 142 N 1.51 5.24 -2.05 2.92 1.01 0.17 -1.27 121.20 128.72 1y2u s ILE 142 Ca 0.06 -0.03 0.32 0.00 0.00 0.00 0.00 60.65 61.00 1y2u s ILE 142 Cb -0.15 -3.58 0.88 0.00 0.01 0.00 0.00 42.46 39.61 1y2u s ILE 142 CO 0.04 0.14 2.18 0.61 0.00 0.00 0.00 174.94 177.91