#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2x s TYR 3 N 0.00 2.89 0.08 -1.42 1.51 -0.18 -4.85 117.35 115.39 1y2x s TYR 3 Ca 0.00 -0.03 0.08 0.00 -1.01 0.00 0.00 57.07 56.11 1y2x s TYR 3 Cb 0.00 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1y2x s TYR 3 CO 0.00 0.35 -0.22 0.95 -1.11 0.00 0.00 175.55 175.52 1y2x s THR 4 N -0.92 1.78 -0.17 -0.71 -4.23 -0.42 -0.14 115.64 110.82 1y2x s THR 4 Ca 0.15 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1y2x s THR 4 Cb -0.11 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.18 1y2x s THR 4 CO 0.05 0.06 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.51 1y2x s ILE 5 N -1.02 1.18 -0.26 2.99 1.01 0.06 0.04 121.20 125.19 1y2x s ILE 5 Ca 0.08 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1y2x s ILE 5 Cb -0.10 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1y2x s ILE 5 CO 0.04 0.11 0.17 -0.44 0.00 0.00 0.00 174.94 174.82 1y2x s SER 6 N 1.60 5.95 -0.20 3.58 0.01 0.12 -1.26 113.70 123.51 1y2x s SER 6 Ca 0.00 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.23 1y2x s SER 6 Cb -0.16 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1y2x s SER 6 CO -0.08 -0.01 -0.04 -0.63 0.41 0.00 0.00 173.24 172.90 1y2x s ILE 7 N 1.52 3.58 -0.24 1.44 1.01 0.21 -1.12 121.20 127.60 1y2x s ILE 7 Ca 0.07 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 1y2x s ILE 7 Cb -0.15 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1y2x s ILE 7 CO 0.08 0.44 0.18 -0.13 0.00 0.00 0.00 174.94 175.51 1y2x s ARG 8 N 1.10 4.06 -0.20 2.79 0.52 -0.31 -1.61 118.95 125.31 1y2x s ARG 8 Ca 0.02 -0.24 -0.13 0.00 -0.52 0.00 0.00 55.73 54.86 1y2x s ARG 8 Cb -0.15 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 1y2x s ARG 8 CO 0.00 0.02 0.26 0.08 0.02 0.00 0.00 175.30 175.69 1y2x s VAL 9 N 1.16 5.31 -0.20 3.52 1.01 -1.26 -0.12 120.40 129.82 1y2x s VAL 9 Ca 0.08 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1y2x s VAL 9 Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1y2x s VAL 9 CO 0.05 0.35 -0.15 -0.31 0.00 0.00 0.00 175.10 175.04 1y2x s TYR 10 N 0.84 2.89 -0.36 5.22 1.51 0.44 -4.96 117.35 122.93 1y2x s TYR 10 Ca 0.13 -1.60 -0.11 0.00 -1.01 0.00 0.00 57.07 54.49 1y2x s TYR 10 Cb -0.13 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1y2x s TYR 10 CO 0.04 -0.77 0.20 -1.14 -1.11 0.00 0.00 175.55 172.77 1y2x s GLN 11 N 1.30 2.93 0.20 -0.62 0.74 -1.26 -0.10 119.66 122.85 1y2x s GLN 11 Ca 0.03 -1.01 0.23 0.00 0.05 0.00 0.00 55.36 54.66 1y2x s GLN 11 Cb -0.14 -3.70 0.02 0.00 1.10 0.00 0.00 33.01 30.29 1y2x s GLN 11 CO -0.10 -0.64 1.06 1.79 -0.55 0.00 0.00 175.29 176.86 1y2x h THR 12 N 5.83 0.00 -3.66 -0.34 1.35 -1.66 -3.47 112.91 110.96 1y2x h THR 12 Ca -0.27 -0.96 -0.38 0.00 -0.55 0.00 0.00 66.41 64.26 1y2x h THR 12 Cb 1.11 1.46 -0.32 0.00 -1.73 0.00 0.00 68.15 68.67 1y2x h THR 12 CO 0.66 0.00 -0.77 0.42 -0.25 0.00 0.00 175.52 175.58 1y2x s THR 13 N -3.35 0.50 -0.03 6.82 -4.23 -1.26 -5.03 115.64 109.06 1y2x s THR 13 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1y2x s THR 13 Cb 0.10 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.45 1y2x s THR 13 CO 0.79 0.19 0.67 -0.81 -0.54 0.00 0.00 174.62 174.92 1y2x n PRO 14 N 3.59 0.68 -3.60 3.99 -0.04 -1.26 -4.65 135.00 133.71 1y2x n PRO 14 Ca -0.21 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.85 1y2x n PRO 14 Cb 0.53 -1.16 -0.11 0.00 -0.04 0.00 0.00 33.50 32.72 1y2x n PRO 14 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1y2x s LYS 15 N 0.28 2.79 0.04 0.54 1.02 -1.26 -4.96 119.74 118.19 1y2x s LYS 15 Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1y2x s LYS 15 Cb 0.00 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1y2x s LYS 15 CO 0.00 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1y2x n GLY 16 N 4.99 -1.83 2.85 -3.33 0.00 -1.26 -4.98 105.19 101.63 1y2x n GLY 16 Ca -0.12 -1.48 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 1y2x n GLY 16 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y2x s PHE 17 N -1.86 -0.35 -0.15 1.61 5.36 -1.26 -5.04 117.98 116.29 1y2x s PHE 17 Ca 0.00 0.55 -0.20 0.00 -0.96 0.00 0.00 56.93 56.32 1y2x s PHE 17 Cb 0.00 -0.22 -0.03 0.00 -0.34 0.00 0.00 43.02 42.43 1y2x s PHE 17 CO 0.00 -0.49 0.59 -0.06 -1.46 0.00 0.00 175.22 173.79 1y2x s PHE 18 N 2.37 3.45 0.12 10.12 0.40 -1.26 -3.85 117.98 129.33 1y2x s PHE 18 Ca 0.05 0.96 0.10 0.00 -0.60 0.00 0.00 56.93 57.44 1y2x s PHE 18 Cb -0.14 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.63 1y2x s PHE 18 CO -0.10 -0.02 -0.25 -0.98 0.70 0.00 0.00 175.22 174.56 1y2x s ARG 19 N 1.32 1.52 0.15 0.44 1.70 -0.29 -4.88 118.95 118.91 1y2x s ARG 19 Ca 0.29 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.95 1y2x s ARG 19 Cb -0.16 -1.95 -0.08 0.00 -0.57 0.00 0.00 34.95 32.19 1y2x s ARG 19 CO 0.12 0.46 1.26 -1.25 -1.08 0.00 0.00 175.30 174.81 1y2x s PRO 20 N -2.01 4.42 0.00 3.89 0.04 -1.26 -1.73 135.00 138.35 1y2x s PRO 20 Ca 0.15 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1y2x s PRO 20 Cb -0.10 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1y2x s PRO 20 CO 0.07 -0.23 0.00 1.33 0.04 0.00 0.00 177.00 178.20 1y2x n VAL 21 N 3.11 0.00 -3.61 -0.36 0.24 -0.54 -4.95 118.33 112.22 1y2x n VAL 21 Ca 0.07 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1y2x n VAL 21 Cb 0.44 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 1y2x n VAL 21 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1y2x s GLU 22 N -0.81 0.73 -0.12 7.34 2.12 -1.23 -4.99 118.70 121.73 1y2x s GLU 22 Ca 0.00 0.64 -0.05 0.00 0.36 0.00 0.00 54.97 55.92 1y2x s GLU 22 Cb 0.00 0.35 0.06 0.00 0.26 0.00 0.00 34.13 34.80 1y2x s GLU 22 CO 0.00 -0.13 0.26 -0.98 -0.54 0.00 0.00 175.26 173.86 1y2x s ARG 23 N -0.11 0.15 0.27 4.30 1.70 -1.26 -1.79 118.95 122.21 1y2x s ARG 23 Ca -0.01 0.72 0.12 0.00 -0.47 0.00 0.00 55.73 56.08 1y2x s ARG 23 Cb -0.04 -0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1y2x s ARG 23 CO 0.00 -0.27 -0.18 0.95 -1.08 0.00 0.00 175.30 174.72 1y2x s THR 24 N 2.27 2.57 -0.10 4.99 -4.23 -0.50 -4.97 115.64 115.68 1y2x s THR 24 Ca 0.00 -2.31 0.01 0.00 -1.18 0.00 0.00 61.69 58.21 1y2x s THR 24 Cb -0.12 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.41 1y2x s THR 24 CO -0.08 -0.36 -0.10 0.20 -0.54 0.00 0.00 174.62 173.73 1y2x s ASN 25 N -3.42 2.10 0.64 3.99 0.01 -1.26 -2.51 114.94 114.49 1y2x s ASN 25 Ca 0.29 -0.33 -0.15 0.00 -0.71 0.00 0.00 52.86 51.97 1y2x s ASN 25 Cb -0.06 -0.88 -0.01 0.00 0.41 0.00 0.00 41.25 40.71 1y2x s ASN 25 CO 0.15 -0.05 1.08 0.86 -1.51 0.00 0.00 177.10 177.62 1y2x s TRP 26 N 1.27 2.86 -0.96 2.20 -0.00 -0.56 -4.94 118.94 118.81 1y2x s TRP 26 Ca -0.03 1.52 0.27 0.00 -0.00 0.00 0.00 56.10 57.85 1y2x s TRP 26 Cb -0.14 -3.04 0.82 0.00 -0.00 0.00 0.00 33.47 31.10 1y2x s TRP 26 CO -0.04 -1.35 1.64 0.36 -0.00 0.00 0.00 176.95 177.56 1y2x n LYS 27 N -2.38 0.03 -1.28 5.86 2.85 -1.26 -4.37 118.16 117.62 1y2x n LYS 27 Ca 0.09 0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 57.08 1y2x n LYS 27 Cb 0.53 -1.53 0.16 0.00 -0.65 0.00 0.00 35.03 33.53 1y2x n LYS 27 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1y2x s TYR 28 N -3.02 2.27 -1.55 5.58 4.12 -1.26 -3.41 117.35 120.08 1y2x s TYR 28 Ca 0.12 1.01 -0.03 0.00 0.02 0.00 0.00 57.07 58.20 1y2x s TYR 28 Cb 0.18 -3.26 0.03 0.00 -1.52 0.00 0.00 41.96 37.38 1y2x s TYR 28 CO 0.63 -2.63 0.17 0.00 0.02 0.00 0.00 175.55 173.74 1y2x n ALA 29 N -4.00 -1.92 -1.82 3.71 0.00 -1.26 -0.90 120.51 114.33 1y2x n ALA 29 Ca 0.06 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 1y2x n ALA 29 Cb 0.57 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 1y2x n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y2x n ASN 30 N -2.87 -4.83 0.00 0.00 3.02 -1.26 -3.24 115.26 106.09 1y2x n ASN 30 Ca -0.27 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1y2x n ASN 30 Cb 0.67 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 1y2x n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y2x n GLY 31 N -1.03 0.55 0.00 7.41 0.00 -0.08 -4.61 105.19 107.43 1y2x n GLY 31 Ca -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1y2x n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2x n GLY 32 N 0.00 -1.74 3.11 -0.02 0.00 -1.26 -2.75 105.19 102.54 1y2x n GLY 32 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.83 1y2x n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2x s THR 33 N -2.03 0.20 -0.12 2.61 -4.23 0.04 -4.88 115.64 107.23 1y2x s THR 33 Ca 0.00 -1.67 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1y2x s THR 33 Cb 0.00 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 1y2x s THR 33 CO 0.00 -0.92 -0.03 0.26 -0.54 0.00 0.00 174.62 173.39 1y2x s TRP 34 N -3.88 3.05 0.05 3.99 0.52 -1.26 -1.23 118.94 120.18 1y2x s TRP 34 Ca 0.06 -0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.12 1y2x s TRP 34 Cb 0.07 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1y2x s TRP 34 CO -0.10 0.16 -0.13 -0.51 0.02 0.00 0.00 176.95 176.38 1y2x s ASP 35 N -0.14 1.57 -0.22 2.95 1.01 0.45 -4.97 116.67 117.32 1y2x s ASP 35 Ca 0.03 -0.49 -0.16 0.00 0.71 0.00 0.00 52.55 52.63 1y2x s ASP 35 Cb -0.13 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1y2x s ASP 35 CO 0.02 -0.01 0.43 -1.61 0.21 0.00 0.00 175.17 174.21 1y2x s GLU 36 N -1.30 4.13 -0.13 8.23 2.02 -1.26 -0.18 118.70 130.21 1y2x s GLU 36 Ca -0.00 0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.18 1y2x s GLU 36 Cb -0.08 -3.58 0.05 0.00 0.10 0.00 0.00 34.13 30.61 1y2x s GLU 36 CO 0.01 -0.15 0.06 0.08 0.02 0.00 0.00 175.26 175.29 1y2x s VAL 37 N 1.66 0.05 -1.54 2.63 1.01 -0.24 -4.89 120.40 119.08 1y2x s VAL 37 Ca 0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1y2x s VAL 37 Cb -0.15 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.78 1y2x s VAL 37 CO 0.09 -0.09 0.76 0.54 0.00 0.00 0.00 175.10 176.40 1y2x n ARG 38 N 5.23 -4.15 -1.00 2.72 1.74 -1.26 -0.84 116.66 119.11 1y2x n ARG 38 Ca -0.06 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1y2x n ARG 38 Cb 0.49 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 26.83 1y2x n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y2x n GLY 39 N -1.65 0.55 3.52 -0.13 0.00 -1.26 -5.03 105.19 101.20 1y2x n GLY 39 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1y2x n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y2x s GLU 40 N -0.09 1.88 -0.17 1.61 2.02 -0.02 -4.80 118.70 119.13 1y2x s GLU 40 Ca 0.00 -1.34 -0.15 0.00 0.02 0.00 0.00 54.97 53.50 1y2x s GLU 40 Cb 0.00 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1y2x s GLU 40 CO 0.00 0.43 0.35 0.71 0.02 0.00 0.00 175.26 176.77 1y2x s TYR 41 N -1.65 3.44 -0.18 1.61 1.51 -0.63 -1.08 117.35 120.36 1y2x s TYR 41 Ca 0.23 0.65 0.01 0.00 -1.01 0.00 0.00 57.07 56.95 1y2x s TYR 41 Cb -0.09 -2.43 0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1y2x s TYR 41 CO 0.13 0.15 -0.16 0.08 -1.11 0.00 0.00 175.55 174.65 1y2x s VAL 42 N 0.75 1.86 -0.29 0.71 1.01 0.74 0.68 120.40 125.85 1y2x s VAL 42 Ca 0.19 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1y2x s VAL 42 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1y2x s VAL 42 CO 0.06 0.39 0.34 -0.22 0.00 0.00 0.00 175.10 175.67 1y2x s LEU 43 N 1.34 4.15 -0.14 3.92 2.96 -0.39 -0.41 118.68 130.12 1y2x s LEU 43 Ca 0.02 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1y2x s LEU 43 Cb -0.14 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1y2x s LEU 43 CO -0.11 -0.21 0.01 -0.89 -1.32 0.00 0.00 176.35 173.83 1y2x s THR 44 N 2.01 4.32 -0.00 3.68 2.01 -0.36 -0.76 115.64 126.54 1y2x s THR 44 Ca 0.13 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.95 1y2x s THR 44 Cb -0.16 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1y2x s THR 44 CO 0.11 0.52 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.39 1y2x s MET 45 N -0.06 1.03 0.58 4.92 -1.94 0.80 -0.78 119.30 123.85 1y2x s MET 45 Ca 0.04 -0.49 0.28 0.00 -1.71 0.00 0.00 55.69 53.81 1y2x s MET 45 Cb -0.13 -1.00 1.72 0.00 2.01 0.00 0.00 34.83 37.43 1y2x s MET 45 CO 0.02 0.27 2.19 0.78 -0.01 0.00 0.00 175.02 178.27 1y2x h GLY 46 N 5.73 0.00 0.00 -0.03 0.00 -1.49 -0.45 103.07 106.84 1y2x h GLY 46 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1y2x h GLY 46 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1y2x n GLY 47 N -1.37 -1.29 3.76 4.60 0.00 -1.22 -3.64 105.19 106.03 1y2x n GLY 47 Ca -0.01 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1y2x n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2x s SER 48 N -3.54 6.78 0.00 1.61 0.15 -1.26 -4.24 113.70 113.21 1y2x s SER 48 Ca 0.00 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1y2x s SER 48 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1y2x s SER 48 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1y2x n GLY 49 N 1.25 1.41 1.59 9.45 0.00 0.57 -4.69 105.19 114.77 1y2x n GLY 49 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1y2x n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1y2x n THR 50 N -0.38 0.00 -3.82 2.61 5.66 -1.21 -4.60 114.28 112.53 1y2x n THR 50 Ca 0.00 -1.16 -0.06 0.00 -3.05 0.00 0.00 64.05 59.79 1y2x n THR 50 Cb 0.00 0.48 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1y2x n THR 50 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1y2x s SER 51 N -2.18 -0.10 -0.01 1.09 1.04 -1.26 -2.05 113.70 110.24 1y2x s SER 51 Ca 0.13 -0.75 -0.14 0.00 0.48 0.00 0.00 55.95 55.68 1y2x s SER 51 Cb 0.01 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1y2x s SER 51 CO 0.09 -1.27 0.30 -0.83 0.98 0.00 0.00 173.24 172.51 1y2x s GLY 52 N -3.08 -0.13 0.04 7.32 0.00 0.53 -1.50 107.32 110.49 1y2x s GLY 52 Ca 0.15 0.26 0.09 0.00 0.00 0.00 0.00 44.72 45.23 1y2x s GLY 52 CO 0.07 0.06 -0.26 -0.56 0.00 0.00 0.00 173.10 172.41 1y2x s SER 53 N -1.40 3.17 -0.08 1.64 0.01 -1.04 -0.96 113.70 115.04 1y2x s SER 53 Ca -0.13 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1y2x s SER 53 Cb -0.05 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1y2x s SER 53 CO 0.03 0.26 -0.21 -0.76 0.41 0.00 0.00 173.24 172.98 1y2x s LEU 54 N -1.22 2.32 -0.09 2.44 1.43 0.16 -1.41 118.68 122.31 1y2x s LEU 54 Ca 0.12 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1y2x s LEU 54 Cb -0.10 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1y2x s LEU 54 CO 0.02 0.23 -0.10 -0.60 0.23 0.00 0.00 176.35 176.12 1y2x s ARG 55 N -0.05 2.98 0.01 1.70 3.52 -0.74 -0.60 118.95 125.78 1y2x s ARG 55 Ca -0.06 -0.62 0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1y2x s ARG 55 Cb -0.14 -2.59 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1y2x s ARG 55 CO 0.05 0.47 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.75 1y2x s PHE 56 N -0.31 1.78 -0.06 5.12 0.40 -0.61 -1.47 117.98 122.84 1y2x s PHE 56 Ca 0.03 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1y2x s PHE 56 Cb -0.13 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.31 1y2x s PHE 56 CO 0.03 0.03 -0.11 0.08 0.70 0.00 0.00 175.22 175.94 1y2x s VAL 57 N -0.63 1.04 -0.51 -0.44 1.01 -0.71 -1.72 120.40 118.45 1y2x s VAL 57 Ca 0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1y2x s VAL 57 Cb -0.08 -0.96 0.13 0.00 0.00 0.00 0.00 36.38 35.48 1y2x s VAL 57 CO 0.00 0.33 0.38 -0.55 0.00 0.00 0.00 175.10 175.27 1y2x s SER 58 N 0.60 5.69 0.36 3.32 0.15 0.78 -1.14 113.70 123.46 1y2x s SER 58 Ca -0.12 -2.11 0.18 0.00 0.70 0.00 0.00 55.95 54.60 1y2x s SER 58 Cb -0.15 -1.99 0.59 0.00 -1.71 0.00 0.00 66.02 62.76 1y2x s SER 58 CO 0.03 -0.63 1.69 0.77 1.20 0.00 0.00 173.24 176.30 1y2x h SER 59 N 8.18 0.00 -0.99 5.45 4.64 -1.79 -0.75 113.55 128.29 1y2x h SER 59 Ca -0.15 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.32 1y2x h SER 59 Cb 1.05 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.05 1y2x h SER 59 CO 0.82 0.40 0.62 0.44 -0.87 0.00 0.00 176.83 178.23 1y2x h ASP 60 N 0.00 0.82 -0.01 4.97 5.19 -1.93 -3.19 116.42 122.28 1y2x h ASP 60 Ca -0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1y2x h ASP 60 Cb 0.98 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1y2x h ASP 60 CO 0.05 0.38 0.00 0.35 -3.12 0.00 0.00 179.24 176.90 1y2x n THR 61 N -4.66 0.62 -3.67 0.35 -2.24 -1.11 -5.01 114.28 98.57 1y2x n THR 61 Ca 0.20 -0.81 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 1y2x n THR 61 Cb 0.47 0.69 0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1y2x n THR 61 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1y2x n ASP 62 N -0.29 -4.89 -4.48 3.42 4.64 -0.39 -5.01 116.55 109.55 1y2x n ASP 62 Ca 0.00 -0.64 -0.26 0.00 -1.38 0.00 0.00 54.79 52.52 1y2x n ASP 62 Cb 0.16 -4.67 -0.10 0.00 -1.04 0.00 0.00 41.12 35.47 1y2x n ASP 62 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1y2x s GLU 63 N -6.23 1.74 0.15 -0.67 2.02 -0.57 -5.00 118.70 110.14 1y2x s GLU 63 Ca 0.47 -1.53 -0.24 0.00 0.02 0.00 0.00 54.97 53.69 1y2x s GLU 63 Cb -0.22 -1.92 0.06 0.00 0.10 0.00 0.00 34.13 32.16 1y2x s GLU 63 CO 0.76 0.39 0.75 -1.54 0.02 0.00 0.00 175.26 175.64 1y2x s SER 64 N -3.01 -0.39 0.10 -0.19 1.04 -1.26 -0.15 113.70 109.85 1y2x s SER 64 Ca 0.25 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.22 1y2x s SER 64 Cb -0.07 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1y2x s SER 64 CO 0.13 -0.97 0.63 0.72 0.98 0.00 0.00 173.24 174.74 1y2x s PHE 65 N -3.57 -0.55 -0.15 5.02 -0.12 -0.70 -4.28 117.98 113.63 1y2x s PHE 65 Ca 0.06 0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.45 1y2x s PHE 65 Cb -0.02 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1y2x s PHE 65 CO -0.05 -0.78 -0.18 0.08 -0.05 0.00 0.00 175.22 174.24 1y2x s VAL 66 N -3.16 2.43 -0.17 -2.49 1.01 0.34 -1.57 120.40 116.78 1y2x s VAL 66 Ca -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1y2x s VAL 66 Cb -0.01 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1y2x s VAL 66 CO -0.08 0.53 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 1y2x s ALA 67 N 0.77 3.07 -0.03 5.51 0.00 0.23 -0.68 121.76 130.63 1y2x s ALA 67 Ca -0.07 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1y2x s ALA 67 Cb -0.16 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1y2x s ALA 67 CO 0.00 0.14 -0.21 0.99 0.00 0.00 0.00 175.76 176.68 1y2x s THR 68 N 0.48 2.44 -0.01 0.00 2.01 0.24 -0.66 115.64 120.14 1y2x s THR 68 Ca -0.02 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.04 1y2x s THR 68 Cb -0.14 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1y2x s THR 68 CO 0.02 0.58 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.09 1y2x s PHE 69 N -0.66 0.74 0.05 4.92 0.40 -0.13 -1.73 117.98 121.57 1y2x s PHE 69 Ca 0.11 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.26 1y2x s PHE 69 Cb -0.10 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 42.96 1y2x s PHE 69 CO -0.00 -0.02 0.19 0.41 0.70 0.00 0.00 175.22 176.50 1y2x n GLY 70 N 2.89 1.34 2.98 4.36 0.00 -1.00 -0.35 105.19 115.41 1y2x n GLY 70 Ca -0.13 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 1y2x n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2x s VAL 71 N -2.57 1.13 -0.14 1.61 1.01 -0.87 -1.14 120.40 119.43 1y2x s VAL 71 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1y2x s VAL 71 Cb -0.01 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1y2x s VAL 71 CO 0.01 0.37 -0.19 -2.28 0.00 0.00 0.00 175.10 173.02 1y2x s HIS 72 N 1.16 2.46 -1.49 5.22 5.04 0.79 -0.32 115.29 128.16 1y2x s HIS 72 Ca -0.05 -1.30 -0.03 0.00 -1.54 0.00 0.00 55.06 52.14 1y2x s HIS 72 Cb -0.14 -1.72 0.03 0.00 0.04 0.00 0.00 32.58 30.79 1y2x s HIS 72 CO -0.02 -0.63 0.40 0.09 -2.34 0.00 0.00 174.74 172.23 1y2x n ASN 73 N 4.32 -0.58 -0.20 9.88 3.02 -1.26 -1.97 115.26 128.48 1y2x n ASN 73 Ca -0.20 -1.06 -0.03 0.00 -0.03 0.00 0.00 54.58 53.27 1y2x n ASN 73 Cb 0.51 -2.70 -0.01 0.00 -0.61 0.00 0.00 39.78 36.96 1y2x n ASN 73 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y2x n TYR 74 N -4.43 0.00 -4.53 3.10 4.02 -1.26 -5.01 117.16 109.05 1y2x n TYR 74 Ca -0.25 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.43 1y2x n TYR 74 Cb 0.65 -1.06 -0.14 0.00 -0.02 0.00 0.00 39.34 38.77 1y2x n TYR 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1y2x s LYS 75 N -1.38 1.07 0.59 -0.72 1.02 -0.83 -4.96 119.74 114.53 1y2x s LYS 75 Ca 0.00 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.18 1y2x s LYS 75 Cb 0.00 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 1y2x s LYS 75 CO 0.00 0.28 1.16 -0.98 -0.92 0.00 0.00 175.35 174.89 1y2x s ARG 76 N -0.70 3.06 0.15 1.68 3.03 -1.26 -0.15 118.95 124.76 1y2x s ARG 76 Ca 0.04 1.68 -0.02 0.00 2.03 0.00 0.00 55.73 59.45 1y2x s ARG 76 Cb -0.07 -1.96 -0.03 0.00 -1.03 0.00 0.00 34.95 31.86 1y2x s ARG 76 CO 0.00 -1.10 0.11 1.67 -1.13 0.00 0.00 175.30 174.85 1y2x s TRP 77 N -1.79 0.84 0.02 5.89 1.48 -0.29 -3.76 118.94 121.34 1y2x s TRP 77 Ca 0.74 -1.19 -0.27 0.00 -1.06 0.00 0.00 56.10 54.32 1y2x s TRP 77 Cb -0.26 -0.42 0.07 0.00 -1.16 0.00 0.00 33.47 31.69 1y2x s TRP 77 CO 0.32 -0.58 0.63 0.00 -4.06 0.00 0.00 176.95 173.26 1y2x s ASP 79 N -1.71 -0.40 -0.04 0.00 3.68 -0.70 -4.74 116.67 112.75 1y2x s ASP 79 Ca -0.07 0.11 0.05 0.00 2.13 0.00 0.00 52.55 54.77 1y2x s ASP 79 Cb -0.00 0.48 -0.01 0.00 -1.45 0.00 0.00 42.92 41.94 1y2x s ASP 79 CO 0.02 -0.72 -0.19 -0.63 0.13 0.00 0.00 175.17 173.78 1y2x s ILE 80 N -2.57 1.57 -0.09 4.11 1.01 -1.26 -0.59 121.20 123.38 1y2x s ILE 80 Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1y2x s ILE 80 Cb -0.01 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1y2x s ILE 80 CO -0.03 0.45 -0.20 -0.69 0.00 0.00 0.00 174.94 174.46 1y2x s VAL 81 N -0.17 1.78 0.00 2.92 1.01 0.15 -4.98 120.40 121.11 1y2x s VAL 81 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1y2x s VAL 81 Cb -0.10 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1y2x s VAL 81 CO 0.01 0.50 0.00 1.07 0.00 0.00 0.00 175.10 176.68 1y2x n THR 82 N 3.58 0.00 -4.17 3.92 5.66 -1.26 -0.51 114.28 121.50 1y2x n THR 82 Ca -0.20 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.47 1y2x n THR 82 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 1y2x n THR 82 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1y2x n ASN 83 N -0.83 -1.70 -4.76 1.09 3.02 -1.26 -4.89 115.26 105.93 1y2x n ASN 83 Ca 0.00 -1.06 -0.41 0.00 -0.03 0.00 0.00 54.58 53.08 1y2x n ASN 83 Cb 0.00 -2.62 -0.03 0.00 -0.61 0.00 0.00 39.78 36.52 1y2x n ASN 83 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y2x s LEU 84 N -7.19 4.45 0.85 3.41 1.43 -1.26 -5.04 118.68 115.32 1y2x s LEU 84 Ca 0.42 2.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.94 1y2x s LEU 84 Cb -0.23 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.45 1y2x s LEU 84 CO 0.93 -0.46 1.10 0.42 0.23 0.00 0.00 176.35 178.57 1y2x s THR 85 N -0.80 2.80 0.55 5.49 -4.23 -1.26 -4.93 115.64 113.26 1y2x s THR 85 Ca 0.50 0.26 0.30 0.00 -1.18 0.00 0.00 61.69 61.57 1y2x s THR 85 Cb -0.37 -2.92 0.35 0.00 1.34 0.00 0.00 72.50 70.90 1y2x s THR 85 CO 0.47 -0.34 2.22 0.78 -0.54 0.00 0.00 174.62 177.21 1y2x h ASN 86 N -1.30 0.00 0.60 3.99 4.21 -2.05 -1.53 115.58 119.50 1y2x h ASN 86 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1y2x h ASN 86 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1y2x h ASN 86 CO 0.58 0.03 -0.13 -0.62 -1.29 0.00 0.00 177.43 176.00 1y2x n GLU 87 N -3.75 0.34 -3.03 0.81 4.71 -1.26 -4.61 120.64 113.85 1y2x n GLU 87 Ca -0.03 -0.09 -0.44 0.00 -0.01 0.00 0.00 57.16 56.59 1y2x n GLU 87 Cb 0.12 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.05 1y2x n GLU 87 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1y2x n GLN 88 N -1.25 3.99 -1.69 3.49 6.02 -0.58 -4.86 117.38 122.51 1y2x n GLN 88 Ca 0.11 -4.35 -0.29 0.00 -0.01 0.00 0.00 57.00 52.45 1y2x n GLN 88 Cb 0.30 -2.61 0.13 0.00 1.02 0.00 0.00 30.24 29.08 1y2x n GLN 88 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y2x s THR 89 N -1.60 1.98 0.31 5.09 -4.23 -1.26 -4.82 115.64 111.10 1y2x s THR 89 Ca 0.33 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1y2x s THR 89 Cb -0.00 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.19 1y2x s THR 89 CO 0.03 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.02 1y2x h ALA 90 N -1.43 1.36 -0.58 3.99 0.00 -1.95 -1.69 119.26 118.96 1y2x h ALA 90 Ca -0.48 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.42 1y2x h ALA 90 Cb 1.32 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1y2x h ALA 90 CO 0.58 0.50 -0.22 1.25 0.00 0.00 0.00 179.25 181.36 1y2x h LEU 91 N 0.86 -0.79 0.10 0.00 6.46 -1.95 -0.02 115.31 119.97 1y2x h LEU 91 Ca 0.21 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1y2x h LEU 91 Cb 0.10 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1y2x h LEU 91 CO -0.03 -0.25 -0.05 0.58 -0.62 0.00 0.00 178.44 178.08 1y2x h VAL 92 N -0.08 1.09 -0.22 1.05 2.07 -1.78 -3.30 116.25 115.08 1y2x h VAL 92 Ca 0.26 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1y2x h VAL 92 Cb 0.49 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1y2x h VAL 92 CO -0.63 0.18 0.13 0.40 0.02 0.00 0.00 177.57 177.67 1y2x h ILE 93 N -0.49 1.10 -0.85 4.57 1.08 -1.07 -3.00 117.51 118.85 1y2x h ILE 93 Ca -0.01 -0.27 0.17 0.00 -0.39 0.00 0.00 64.86 64.36 1y2x h ILE 93 Cb 0.41 0.88 -0.10 0.00 -3.07 0.00 0.00 36.82 34.93 1y2x h ILE 93 CO 0.02 0.10 0.41 -1.13 -0.69 0.00 0.00 178.15 176.86 1y2x h ASN 94 N 0.26 0.43 0.15 1.72 -0.00 -1.11 -1.08 115.58 115.96 1y2x h ASN 94 Ca 0.08 0.12 -0.10 0.00 -0.00 0.00 0.00 56.30 56.40 1y2x h ASN 94 Cb 0.05 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.42 1y2x h ASN 94 CO -0.01 0.13 -0.34 1.56 -0.00 0.00 0.00 177.43 178.77 1y2x h GLN 95 N 0.53 0.28 0.00 6.67 4.20 -1.60 -3.21 115.11 121.97 1y2x h GLN 95 Ca 0.49 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1y2x h GLN 95 Cb 0.79 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1y2x h GLN 95 CO -0.42 0.59 0.00 0.93 -0.67 0.00 0.00 178.83 179.26 1y2x h GLU 96 N 0.24 0.00 0.00 1.46 5.08 -1.14 -1.87 114.58 118.35 1y2x h GLU 96 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1y2x h GLU 96 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1y2x h GLU 96 CO 0.05 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 1y2x n TYR 97 N -2.71 0.00 -2.70 4.33 4.02 -1.21 -1.64 117.16 117.25 1y2x n TYR 97 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 1y2x n TYR 97 Cb 0.15 -0.07 -0.00 0.00 -0.02 0.00 0.00 39.34 39.39 1y2x n TYR 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1y2x n TYR 98 N -1.07 2.52 0.00 -0.72 4.02 -0.70 -4.39 117.16 116.81 1y2x n TYR 98 Ca 0.16 -3.27 0.00 0.00 -0.01 0.00 0.00 57.90 54.78 1y2x n TYR 98 Cb 0.11 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 1y2x n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y2x n GLY 99 N -0.23 1.03 3.63 2.72 0.00 -1.22 -5.11 105.19 106.00 1y2x n GLY 99 Ca 0.28 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1y2x n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2x s VAL 100 N 0.00 4.83 0.19 1.61 1.01 -0.65 -4.97 120.40 122.41 1y2x s VAL 100 Ca 0.00 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 1y2x s VAL 100 Cb 0.00 -4.11 0.16 0.00 0.00 0.00 0.00 36.38 32.43 1y2x s VAL 100 CO 0.00 -0.13 1.65 -0.65 0.00 0.00 0.00 175.10 175.98 1y2x h PRO 101 N 7.85 0.03 -0.22 2.72 0.11 -1.98 0.44 132.00 140.94 1y2x h PRO 101 Ca -0.24 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 1y2x h PRO 101 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1y2x h PRO 101 CO 0.87 0.02 -0.16 -0.84 -0.21 0.00 0.00 178.00 177.67 1y2x h ILE 102 N 0.03 1.22 -0.25 4.15 -0.00 -1.94 -0.94 117.51 119.78 1y2x h ILE 102 Ca 0.26 -1.01 -0.20 0.00 -0.00 0.00 0.00 64.86 63.91 1y2x h ILE 102 Cb 0.40 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 1y2x h ILE 102 CO -0.52 0.32 -0.62 0.03 -0.00 0.00 0.00 178.15 177.37 1y2x h ARG 103 N 0.35 0.84 -0.60 0.16 2.47 -1.64 -2.78 114.38 113.19 1y2x h ARG 103 Ca 0.06 -0.58 0.07 0.00 -1.26 0.00 0.00 59.98 58.28 1y2x h ARG 103 Cb 0.50 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 1y2x h ARG 103 CO 0.03 1.20 0.28 -0.44 0.56 0.00 0.00 179.97 181.60 1y2x h ASP 104 N 0.62 0.37 0.01 7.04 3.32 0.22 -2.58 116.42 125.41 1y2x h ASP 104 Ca -0.01 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1y2x h ASP 104 Cb 1.23 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1y2x h ASP 104 CO 0.13 0.23 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.17 1y2x h GLN 105 N 0.52 -0.18 -0.98 3.56 4.15 -1.10 -0.10 115.11 120.97 1y2x h GLN 105 Ca 0.28 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.86 1y2x h GLN 105 Cb 0.25 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.89 1y2x h GLN 105 CO -0.22 -0.12 0.60 0.00 -1.93 0.00 0.00 178.83 177.15 1y2x h ALA 106 N 0.77 1.54 -0.24 3.38 0.00 -1.25 0.58 119.26 124.04 1y2x h ALA 106 Ca 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1y2x h ALA 106 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1y2x h ALA 106 CO -0.11 0.09 -0.00 -0.09 0.00 0.00 0.00 179.25 179.14 1y2x h ARG 107 N 0.87 0.43 -0.22 0.00 2.43 -1.05 -3.07 114.38 113.78 1y2x h ARG 107 Ca 0.52 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1y2x h ARG 107 Cb 0.65 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1y2x h ARG 107 CO -0.32 0.61 0.04 0.93 -1.51 0.00 0.00 179.97 179.73 1y2x h GLU 108 N 0.20 0.31 0.00 0.20 5.08 -0.05 -2.52 114.58 117.81 1y2x h GLU 108 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1y2x h GLU 108 Cb 0.42 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1y2x h GLU 108 CO 0.01 0.30 0.00 -0.91 -1.00 0.00 0.00 179.01 177.41 1y2x h ASN 109 N 0.31 0.00 -6.63 1.42 2.35 -0.82 -3.46 115.58 108.75 1y2x h ASN 109 Ca 0.08 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.30 1y2x h ASN 109 Cb 0.14 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.40 1y2x h ASN 109 CO -0.00 0.00 -0.88 0.00 -1.65 0.00 0.00 177.43 174.89 1y2x n GLN 110 N -3.04 -2.98 -2.50 0.81 6.02 -0.95 -4.87 117.38 109.87 1y2x n GLN 110 Ca -0.03 0.36 -0.40 0.00 -0.01 0.00 0.00 57.00 56.92 1y2x n GLN 110 Cb 0.07 -4.55 -0.04 0.00 1.02 0.00 0.00 30.24 26.74 1y2x n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1y2x s LEU 111 N -7.09 4.50 0.04 1.08 1.43 -1.25 -4.72 118.68 112.69 1y2x s LEU 111 Ca 0.18 2.22 0.25 0.00 -1.03 0.00 0.00 54.13 55.75 1y2x s LEU 111 Cb -0.10 -3.70 0.58 0.00 0.03 0.00 0.00 46.19 43.00 1y2x s LEU 111 CO 0.91 -0.17 1.47 0.35 0.23 0.00 0.00 176.35 179.14 1y2x n THR 112 N 1.04 0.13 -3.68 5.49 -2.24 -1.26 -4.03 114.28 109.72 1y2x n THR 112 Ca -0.00 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1y2x n THR 112 Cb 0.45 -0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1y2x n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1y2x s SER 113 N -3.42 -0.62 -0.02 3.42 0.15 -1.26 -1.03 113.70 110.93 1y2x s SER 113 Ca 0.10 1.05 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 1y2x s SER 113 Cb 0.16 0.94 0.02 0.00 -1.71 0.00 0.00 66.02 65.43 1y2x s SER 113 CO 0.68 -0.20 0.27 -0.47 1.20 0.00 0.00 173.24 174.71 1y2x s TYR 114 N 1.35 -0.14 -0.03 3.44 5.04 -0.22 -5.01 117.35 121.79 1y2x s TYR 114 Ca -0.09 0.21 -0.22 0.00 -2.44 0.00 0.00 57.07 54.54 1y2x s TYR 114 Cb -0.07 0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.35 1y2x s TYR 114 CO -0.13 -0.35 0.47 0.54 -1.34 0.00 0.00 175.55 174.73 1y2x s ASN 115 N -1.24 -0.39 0.25 4.32 2.20 -1.26 -0.32 114.94 118.50 1y2x s ASN 115 Ca -0.13 0.34 -0.15 0.00 -0.94 0.00 0.00 52.86 51.99 1y2x s ASN 115 Cb -0.06 0.41 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 1y2x s ASN 115 CO 0.03 -0.52 0.52 0.54 -2.94 0.00 0.00 177.10 174.73 1y2x s VAL 116 N -1.32 0.00 0.05 3.54 0.11 -0.80 -5.01 120.40 116.98 1y2x s VAL 116 Ca -0.12 -1.29 0.05 0.00 -2.93 0.00 0.00 61.98 57.69 1y2x s VAL 116 Cb -0.03 -2.12 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1y2x s VAL 116 CO 0.06 -0.02 -0.15 0.00 -3.33 0.00 0.00 175.10 171.67 1y2x s ALA 117 N -3.99 1.23 0.96 1.54 0.00 -1.26 -0.88 121.76 119.36 1y2x s ALA 117 Ca 0.19 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 1y2x s ALA 117 Cb -0.02 -0.17 0.19 0.00 0.00 0.00 0.00 23.12 23.12 1y2x s ALA 117 CO 0.08 0.22 1.28 0.54 0.00 0.00 0.00 175.76 177.88 1y2x s ASN 118 N -1.35 3.16 0.57 0.00 2.20 -0.53 -4.92 114.94 114.06 1y2x s ASN 118 Ca 0.01 0.39 0.36 0.00 -0.94 0.00 0.00 52.86 52.68 1y2x s ASN 118 Cb -0.09 -0.53 1.65 0.00 -2.00 0.00 0.00 41.25 40.29 1y2x s ASN 118 CO 0.02 -2.71 2.08 0.00 -2.94 0.00 0.00 177.10 173.54 1y2x h ALA 119 N -1.63 1.00 -0.00 3.54 0.00 -1.97 -1.20 119.26 119.00 1y2x h ALA 119 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1y2x h ALA 119 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y2x h ALA 119 CO 0.42 0.00 -0.07 1.63 0.00 0.00 0.00 179.25 181.24 1y2x n LYS 120 N -3.03 0.39 -0.33 0.00 5.02 -1.26 -4.93 118.16 114.01 1y2x n LYS 120 Ca -0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1y2x n LYS 120 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1y2x n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y2x n GLY 121 N 1.34 0.76 3.73 0.72 0.00 -0.45 -5.06 105.19 106.23 1y2x n GLY 121 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1y2x n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y2x s ARG 122 N -0.62 4.41 0.02 1.61 3.52 -1.26 -4.82 118.95 121.81 1y2x s ARG 122 Ca 0.00 1.95 -0.10 0.00 -0.13 0.00 0.00 55.73 57.44 1y2x s ARG 122 Cb 0.00 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1y2x s ARG 122 CO 0.00 -0.26 0.35 1.03 -0.81 0.00 0.00 175.30 175.61 1y2x s ARG 123 N 0.44 3.73 -0.02 5.12 0.52 -1.26 -1.45 118.95 126.03 1y2x s ARG 123 Ca 0.58 0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.99 1y2x s ARG 123 Cb -0.34 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.03 1y2x s ARG 123 CO 0.34 0.64 -0.16 -0.06 0.02 0.00 0.00 175.30 176.07 1y2x s PHE 124 N -1.26 1.50 0.02 -0.53 0.40 -0.06 -0.10 117.98 117.96 1y2x s PHE 124 Ca 0.28 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1y2x s PHE 124 Cb -0.14 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 1y2x s PHE 124 CO 0.15 -0.06 -0.01 0.00 0.70 0.00 0.00 175.22 176.00 1y2x s ALA 125 N -0.27 0.07 -0.08 5.36 0.00 -0.00 -1.90 121.76 124.93 1y2x s ALA 125 Ca 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1y2x s ALA 125 Cb -0.08 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1y2x s ALA 125 CO -0.00 -0.16 -0.17 0.42 0.00 0.00 0.00 175.76 175.85 1y2x s ILE 126 N -1.40 1.53 -0.11 0.00 1.01 0.56 -0.44 121.20 122.35 1y2x s ILE 126 Ca -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1y2x s ILE 126 Cb -0.09 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.05 1y2x s ILE 126 CO -0.01 0.44 -0.04 -0.70 0.00 0.00 0.00 174.94 174.64 1y2x s GLU 127 N 0.59 1.12 0.12 2.79 -6.30 -0.78 -1.05 118.70 115.19 1y2x s GLU 127 Ca -0.15 -0.16 -0.30 0.00 -2.50 0.00 0.00 54.97 51.86 1y2x s GLU 127 Cb -0.16 -1.43 -0.07 0.00 0.00 0.00 0.00 34.13 32.47 1y2x s GLU 127 CO 0.05 -0.32 1.14 0.71 0.02 0.00 0.00 175.26 176.86 1y2x s TYR 128 N 1.81 3.52 -0.13 5.30 1.51 -0.19 0.01 117.35 129.18 1y2x s TYR 128 Ca 0.04 1.47 0.19 0.00 -1.01 0.00 0.00 57.07 57.76 1y2x s TYR 128 Cb -0.13 -3.34 -0.25 0.00 -0.11 0.00 0.00 41.96 38.13 1y2x s TYR 128 CO -0.07 -0.88 0.38 0.25 -1.11 0.00 0.00 175.55 174.11 1y2x n THR 129 N 3.09 0.90 -4.09 -0.71 -2.24 0.50 -4.77 114.28 106.97 1y2x n THR 129 Ca 0.05 -0.71 -0.33 0.00 -2.27 0.00 0.00 64.05 60.80 1y2x n THR 129 Cb 0.46 -0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 68.16 1y2x n THR 129 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y2x s VAL 130 N -2.92 2.20 -0.39 2.28 1.01 -1.15 -4.98 120.40 116.45 1y2x s VAL 130 Ca -0.08 -1.07 0.13 0.00 0.00 0.00 0.00 61.98 60.96 1y2x s VAL 130 Cb 0.09 -2.02 -0.17 0.00 0.00 0.00 0.00 36.38 34.29 1y2x s VAL 130 CO 0.85 0.39 0.46 0.35 0.00 0.00 0.00 175.10 177.15 1y2x n THR 131 N 4.59 0.00 -4.36 3.92 -2.24 -1.26 -3.01 114.28 111.92 1y2x n THR 131 Ca -0.19 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 1y2x n THR 131 Cb 0.48 0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 69.30 1y2x n THR 131 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y2x s GLU 132 N -2.48 1.36 0.11 -0.78 0.41 -1.26 -4.66 118.70 111.40 1y2x s GLU 132 Ca 0.01 -1.45 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 1y2x s GLU 132 Cb 0.09 -1.52 0.00 0.00 -1.78 0.00 0.00 34.13 30.92 1y2x s GLU 132 CO 0.54 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 176.04 1y2x n GLY 133 N 0.29 -2.94 0.10 -1.39 0.00 -1.26 -4.66 105.19 95.34 1y2x n GLY 133 Ca -0.13 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 43.91 1y2x n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y2x h ASP 134 N 0.00 0.00 -4.13 1.61 3.32 -1.93 -3.41 116.42 111.88 1y2x h ASP 134 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1y2x h ASP 134 Cb 0.00 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.18 1y2x h ASP 134 CO 0.00 0.78 -0.49 0.20 -1.72 0.00 0.00 179.24 178.01 1y2x s ASN 135 N -6.71 4.92 0.36 6.45 0.01 -1.26 -1.30 114.94 117.40 1y2x s ASN 135 Ca 0.00 -2.79 -0.03 0.00 -0.71 0.00 0.00 52.86 49.34 1y2x s ASN 135 Cb 0.11 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 1y2x s ASN 135 CO 0.78 -0.34 0.61 -0.76 -1.51 0.00 0.00 177.10 175.88 1y2x s LEU 136 N 0.03 3.94 -0.01 0.60 1.43 0.11 -4.97 118.68 119.80 1y2x s LEU 136 Ca 0.16 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1y2x s LEU 136 Cb -0.22 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1y2x s LEU 136 CO -0.03 -0.33 -0.03 -0.54 0.23 0.00 0.00 176.35 175.65 1y2x s LYS 137 N -4.16 0.34 0.02 1.70 1.02 -1.16 -0.70 119.74 116.79 1y2x s LYS 137 Ca 0.43 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1y2x s LYS 137 Cb -0.10 -0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1y2x s LYS 137 CO 0.36 0.04 -0.02 0.00 -0.92 0.00 0.00 175.35 174.81 1y2x s ALA 138 N 0.14 0.10 -0.13 5.17 0.00 -0.28 -0.37 121.76 126.39 1y2x s ALA 138 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 1y2x s ALA 138 Cb -0.04 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1y2x s ALA 138 CO -0.00 -0.13 0.18 -0.80 0.00 0.00 0.00 175.76 175.01 1y2x s ASN 139 N -1.19 6.39 -0.32 0.00 0.02 0.10 -1.16 114.94 118.79 1y2x s ASN 139 Ca -0.13 0.47 -0.06 0.00 -1.02 0.00 0.00 52.86 52.12 1y2x s ASN 139 Cb -0.08 -2.10 0.03 0.00 0.02 0.00 0.00 41.25 39.11 1y2x s ASN 139 CO -0.01 0.31 0.08 -0.22 0.02 0.00 0.00 177.10 177.29 1y2x s LEU 140 N -0.55 4.06 -0.28 0.60 2.96 0.83 -1.86 118.68 124.44 1y2x s LEU 140 Ca 0.14 -0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 1y2x s LEU 140 Cb -0.12 -1.85 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1y2x s LEU 140 CO 0.03 -0.26 0.08 -0.63 -1.32 0.00 0.00 176.35 174.26 1y2x s ILE 141 N 1.43 4.14 -0.31 6.68 1.01 0.42 -0.42 121.20 134.13 1y2x s ILE 141 Ca -0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1y2x s ILE 141 Cb -0.18 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1y2x s ILE 141 CO 0.02 0.16 0.30 -0.63 0.00 0.00 0.00 174.94 174.79 1y2x s ILE 142 N 1.55 5.23 -2.39 2.92 1.01 0.85 -0.82 121.20 129.55 1y2x s ILE 142 Ca 0.04 0.14 0.29 0.00 0.00 0.00 0.00 60.65 61.12 1y2x s ILE 142 Cb -0.16 -3.70 0.63 0.00 0.01 0.00 0.00 42.46 39.24 1y2x s ILE 142 CO 0.03 0.07 1.85 0.61 0.00 0.00 0.00 174.94 177.50