#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ice s ARG 1 N 0.00 3.23 1.05 1.61 3.00 -1.26 -5.07 118.95 121.51 2ice s ARG 1 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 55.73 55.62 2ice s ARG 1 Cb 0.00 -2.37 0.22 0.00 0.00 0.00 0.00 34.95 32.80 2ice s ARG 1 CO 0.00 -0.39 1.07 -2.14 0.00 0.00 0.00 175.30 173.84 2ice s PRO 2 N -4.80 0.02 -0.04 3.54 0.02 -1.26 -5.05 135.00 127.43 2ice s PRO 2 Ca 0.50 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.48 2ice s PRO 2 Cb -0.10 -1.65 0.03 0.00 0.02 0.00 0.00 34.50 32.79 2ice s PRO 2 CO 0.44 -3.13 0.00 0.42 -0.33 0.00 0.00 177.00 174.40 2ice s ILE 3 N -2.63 0.22 -0.00 2.83 1.01 -1.26 -5.00 121.20 116.36 2ice s ILE 3 Ca 0.67 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 2ice s ILE 3 Cb -0.23 -0.33 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 2ice s ILE 3 CO 0.61 0.17 0.40 -0.76 0.00 0.00 0.00 174.94 175.36 2ice s LEU 4 N 1.21 4.47 -0.23 2.97 1.43 -1.26 -4.32 118.68 122.95 2ice s LEU 4 Ca -0.07 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 2ice s LEU 4 Cb -0.13 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.53 2ice s LEU 4 CO -0.02 0.33 -0.10 -0.70 0.23 0.00 0.00 176.35 176.08 2ice s GLU 5 N -1.10 2.84 -0.06 1.70 2.12 0.38 -5.00 118.70 119.58 2ice s GLU 5 Ca 0.24 -0.96 -0.03 0.00 0.36 0.00 0.00 54.97 54.58 2ice s GLU 5 Cb -0.16 -2.87 0.04 0.00 0.26 0.00 0.00 34.13 31.39 2ice s GLU 5 CO 0.13 -0.36 0.13 0.08 -0.54 0.00 0.00 175.26 174.71 2ice s VAL 6 N 1.30 -0.09 0.51 3.70 1.01 -1.26 -1.93 120.40 123.63 2ice s VAL 6 Ca 0.01 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 2ice s VAL 6 Cb -0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 2ice s VAL 6 CO -0.07 0.09 1.32 -2.65 0.00 0.00 0.00 175.10 173.80 2ice n PRO 7 N 4.44 1.78 -0.04 2.72 -0.02 -1.26 -4.91 135.00 137.71 2ice n PRO 7 Ca -0.22 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 2ice n PRO 7 Cb 0.51 -2.51 0.45 0.00 -0.02 0.00 0.00 33.50 31.93 2ice n PRO 7 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ice h GLU 8 N 1.65 0.49 -3.38 -0.52 4.81 -1.98 -3.40 114.58 112.26 2ice h GLU 8 Ca -0.50 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 2ice h GLU 8 Cb 1.30 -0.11 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 2ice h GLU 8 CO 0.58 0.32 -0.24 0.45 -0.73 0.00 0.00 179.01 179.39 2ice s SER 9 N -6.50 -0.11 0.04 1.04 0.15 -1.26 -2.65 113.70 104.40 2ice s SER 9 Ca -0.08 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.32 2ice s SER 9 Cb 0.18 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 2ice s SER 9 CO 0.74 -0.66 -0.06 -0.69 1.20 0.00 0.00 173.24 173.77 2ice s VAL 10 N -2.88 0.38 0.01 4.45 1.01 -0.91 -4.88 120.40 117.57 2ice s VAL 10 Ca -0.03 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.95 2ice s VAL 10 Cb 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2ice s VAL 10 CO -0.05 -0.45 -0.15 -0.89 0.00 0.00 0.00 175.10 173.56 2ice s THR 11 N -1.52 1.16 0.00 3.92 2.01 -1.26 -0.51 115.64 119.44 2ice s THR 11 Ca -0.11 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 2ice s THR 11 Cb -0.09 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2ice s THR 11 CO -0.00 0.23 0.06 -0.83 -0.69 0.00 0.00 174.62 173.38 2ice s GLY 12 N -0.61 0.11 0.03 4.40 0.00 0.04 -4.92 107.32 106.38 2ice s GLY 12 Ca 0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 2ice s GLY 12 CO 0.00 -0.36 1.59 2.56 0.00 0.00 0.00 173.10 176.89 2ice s PRO 13 N -1.19 4.22 0.36 2.90 0.04 -1.26 -0.37 135.00 139.70 2ice s PRO 13 Ca -0.13 2.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2ice s PRO 13 Cb -0.07 -3.64 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 2ice s PRO 13 CO 0.00 -0.71 0.75 1.87 0.04 0.00 0.00 177.00 178.96 2ice n TRP 14 N 5.75 0.28 -0.30 0.56 -0.00 -0.13 -0.96 117.44 122.64 2ice n TRP 14 Ca 0.15 0.66 0.00 0.00 -0.00 0.00 0.00 57.50 58.32 2ice n TRP 14 Cb 0.42 -2.10 0.00 0.00 -0.00 0.00 0.00 31.31 29.63 2ice n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2ice n LYS 15 N 0.58 0.00 -0.33 5.87 5.02 -0.55 -4.85 118.16 123.91 2ice n LYS 15 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2ice n LYS 15 Cb 0.36 -3.98 0.00 0.00 -0.02 0.00 0.00 35.03 31.39 2ice n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ice n GLY 16 N -2.00 3.45 3.96 0.72 0.00 -0.14 -4.23 105.19 106.94 2ice n GLY 16 Ca 0.00 -2.07 -0.21 0.00 0.00 0.00 0.00 46.02 43.74 2ice n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ice s ASP 17 N -0.54 6.19 0.07 1.61 1.01 -1.26 -0.73 116.67 123.02 2ice s ASP 17 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 52.55 53.11 2ice s ASP 17 Cb 0.00 -1.74 0.03 0.00 1.01 0.00 0.00 42.92 42.22 2ice s ASP 17 CO 0.00 -0.11 0.35 0.54 0.21 0.00 0.00 175.17 176.16 2ice s VAL 18 N -2.02 0.08 -0.05 -1.27 0.11 -0.73 -4.32 120.40 112.20 2ice s VAL 18 Ca 0.35 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2ice s VAL 18 Cb -0.09 -1.06 0.01 0.00 -1.53 0.00 0.00 36.38 33.72 2ice s VAL 18 CO 0.29 -0.36 -0.11 0.21 -3.33 0.00 0.00 175.10 171.80 2ice s ASN 19 N -2.36 1.57 -0.37 3.54 2.47 -1.26 -2.59 114.94 115.93 2ice s ASN 19 Ca -0.02 -0.26 -0.07 0.00 0.42 0.00 0.00 52.86 52.94 2ice s ASN 19 Cb 0.01 -0.67 0.06 0.00 -1.45 0.00 0.00 41.25 39.19 2ice s ASN 19 CO -0.07 0.03 0.17 -0.76 -3.72 0.00 0.00 177.10 172.75 2ice s LEU 20 N 0.60 4.67 0.22 3.21 1.43 0.98 -4.95 118.68 124.84 2ice s LEU 20 Ca -0.12 -1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 51.36 2ice s LEU 20 Cb -0.14 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 2ice s LEU 20 CO 0.03 -0.41 1.11 -2.84 0.23 0.00 0.00 176.35 174.47 2ice s PRO 21 N 1.39 4.60 -0.25 1.29 0.02 -1.26 -0.77 135.00 140.02 2ice s PRO 21 Ca 0.01 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.77 2ice s PRO 21 Cb -0.21 -3.24 0.11 0.00 0.02 0.00 0.00 34.50 31.18 2ice s PRO 21 CO 0.02 0.10 0.24 0.00 -0.33 0.00 0.00 177.00 177.03 2ice s THR 23 N 2.31 0.94 0.01 0.00 -4.23 -0.81 -1.49 115.64 112.37 2ice s THR 23 Ca 0.08 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2ice s THR 23 Cb -0.15 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.74 2ice s THR 23 CO -0.23 -0.27 0.02 -0.72 -0.54 0.00 0.00 174.62 172.88 2ice s TYR 24 N -1.30 0.17 -0.27 3.99 -0.85 0.44 -0.47 117.35 119.06 2ice s TYR 24 Ca -0.04 -0.35 -0.27 0.00 -0.52 0.00 0.00 57.07 55.89 2ice s TYR 24 Cb -0.10 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.12 2ice s TYR 24 CO 0.02 -0.19 0.96 -0.51 -1.52 0.00 0.00 175.55 174.30 2ice s ASP 25 N -1.25 6.91 0.87 -0.18 1.01 -1.26 -4.36 116.67 118.41 2ice s ASP 25 Ca -0.14 1.08 -0.13 0.00 0.71 0.00 0.00 52.55 54.07 2ice s ASP 25 Cb -0.08 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.40 2ice s ASP 25 CO -0.00 -0.68 0.68 -2.65 0.21 0.00 0.00 175.17 172.72 2ice n PRO 26 N 6.38 -0.08 -3.94 8.23 -0.02 -1.26 -4.72 135.00 139.60 2ice n PRO 26 Ca 0.09 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 2ice n PRO 26 Cb 0.47 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 2ice n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ice s LEU 27 N -2.43 1.83 0.38 2.45 1.43 -1.26 -5.11 118.68 115.97 2ice s LEU 27 Ca 0.63 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 2ice s LEU 27 Cb -0.26 0.62 -0.10 0.00 0.03 0.00 0.00 46.19 46.48 2ice s LEU 27 CO 0.61 -0.55 1.35 -1.10 0.23 0.00 0.00 176.35 176.89 2ice s GLN 28 N -2.94 4.07 -0.65 1.70 -0.21 -1.26 -3.11 119.66 117.27 2ice s GLN 28 Ca -0.02 2.28 0.00 0.00 0.02 0.00 0.00 55.36 57.63 2ice s GLN 28 Cb 0.01 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.14 2ice s GLN 28 CO -0.06 -0.45 0.00 0.41 -2.12 0.00 0.00 175.29 173.07 2ice n GLY 29 N 0.66 0.85 2.44 3.09 0.00 -1.26 -4.97 105.19 105.99 2ice n GLY 29 Ca 0.02 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 2ice n GLY 29 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ice n TYR 30 N -2.82 0.32 -2.28 1.61 4.02 -1.18 -4.09 117.16 112.74 2ice n TYR 30 Ca -0.06 -3.61 -0.42 0.00 -0.01 0.00 0.00 57.90 53.80 2ice n TYR 30 Cb 0.20 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 2ice n TYR 30 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ice s THR 31 N -0.70 3.46 -0.08 -0.72 2.01 -0.81 -4.68 115.64 114.12 2ice s THR 31 Ca 0.33 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 2ice s THR 31 Cb 0.06 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2ice s THR 31 CO -0.16 0.14 1.07 -1.58 -0.69 0.00 0.00 174.62 173.40 2ice s GLN 32 N 0.37 4.41 -0.00 4.92 0.74 -1.26 0.51 119.66 129.34 2ice s GLN 32 Ca 0.58 1.49 0.00 0.00 0.05 0.00 0.00 55.36 57.48 2ice s GLN 32 Cb -0.34 -3.54 -0.00 0.00 1.10 0.00 0.00 33.01 30.23 2ice s GLN 32 CO 0.34 -0.34 0.01 1.33 -0.55 0.00 0.00 175.29 176.09 2ice n VAL 33 N 4.51 0.00 -3.66 1.34 0.24 -0.55 -4.91 118.33 115.30 2ice n VAL 33 Ca 0.09 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.34 61.95 2ice n VAL 33 Cb 0.48 0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 2ice n VAL 33 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2ice s LEU 34 N -2.29 -0.65 -0.02 1.34 2.96 -1.14 -4.46 118.68 114.42 2ice s LEU 34 Ca 0.00 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 2ice s LEU 34 Cb 0.00 2.04 -0.03 0.00 0.50 0.00 0.00 46.19 48.70 2ice s LEU 34 CO 0.01 -0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.03 2ice s VAL 35 N 1.52 3.42 -0.11 1.68 1.01 -0.59 -1.83 120.40 125.49 2ice s VAL 35 Ca -0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2ice s VAL 35 Cb -0.06 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.94 2ice s VAL 35 CO -0.17 0.47 0.26 -0.75 0.00 0.00 0.00 175.10 174.91 2ice s LYS 36 N -1.15 0.19 -0.11 2.72 2.20 -0.21 -1.11 119.74 122.27 2ice s LYS 36 Ca 0.15 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2ice s LYS 36 Cb -0.11 -0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.10 2ice s LYS 36 CO 0.04 -0.20 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.14 2ice s TRP 37 N 1.62 2.84 0.19 4.03 0.52 -1.09 -0.80 118.94 126.24 2ice s TRP 37 Ca -0.06 -0.43 0.11 0.00 0.02 0.00 0.00 56.10 55.74 2ice s TRP 37 Cb -0.11 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 2ice s TRP 37 CO -0.09 -0.06 -0.24 -0.51 0.02 0.00 0.00 176.95 176.07 2ice s LEU 38 N 0.05 2.43 -0.04 2.99 1.02 -0.30 0.54 118.68 125.36 2ice s LEU 38 Ca -0.04 -0.86 0.06 0.00 0.02 0.00 0.00 54.13 53.31 2ice s LEU 38 Cb -0.14 -1.16 -0.01 0.00 0.02 0.00 0.00 46.19 44.89 2ice s LEU 38 CO 0.04 0.12 -0.23 0.54 0.02 0.00 0.00 176.35 176.84 2ice s VAL 39 N -1.64 1.86 -1.04 -1.59 0.11 -0.09 -0.93 120.40 117.08 2ice s VAL 39 Ca 0.20 -0.97 -0.22 0.00 -2.93 0.00 0.00 61.98 58.07 2ice s VAL 39 Cb -0.08 -1.57 0.07 0.00 -1.53 0.00 0.00 36.38 33.27 2ice s VAL 39 CO 0.09 0.52 1.44 -1.58 -3.33 0.00 0.00 175.10 172.25 2ice s GLN 40 N -0.20 3.65 -1.04 1.54 2.00 0.33 -1.56 119.66 124.37 2ice s GLN 40 Ca -0.01 -1.33 -0.25 0.00 -2.00 0.00 0.00 55.36 51.77 2ice s GLN 40 Cb -0.12 -5.32 -0.17 0.00 0.80 0.00 0.00 33.01 28.21 2ice s GLN 40 CO 0.02 -2.15 1.98 -2.13 -0.50 0.00 0.00 175.29 172.51 2ice n ARG 41 N 8.46 0.94 0.00 1.67 0.63 -1.26 -4.48 116.66 122.62 2ice n ARG 41 Ca 0.34 -2.05 0.00 0.00 -0.92 0.00 0.00 57.85 55.22 2ice n ARG 41 Cb 0.50 -3.67 0.00 0.00 0.45 0.00 0.00 32.46 29.74 2ice n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ice n GLY 42 N 5.76 0.09 0.00 5.14 0.00 -1.26 -3.69 105.19 111.23 2ice n GLY 42 Ca 0.44 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2ice n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ice n SER 43 N 0.44 0.00 -3.60 1.61 2.88 -1.26 -5.00 113.62 108.68 2ice n SER 43 Ca 0.00 0.85 -0.03 0.00 -1.33 0.00 0.00 58.87 58.36 2ice n SER 43 Cb 0.00 -0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 63.10 2ice n SER 43 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2ice s ASP 44 N -2.19 -0.11 0.57 -3.46 1.47 -1.24 -5.12 116.67 106.60 2ice s ASP 44 Ca 0.00 -0.04 -0.12 0.00 1.18 0.00 0.00 52.55 53.57 2ice s ASP 44 Cb 0.00 0.14 -0.05 0.00 -0.34 0.00 0.00 42.92 42.67 2ice s ASP 44 CO 0.00 -0.24 0.98 -2.16 0.68 0.00 0.00 175.17 174.43 2ice s PRO 45 N -2.40 3.70 -0.05 2.11 0.05 -1.26 -4.60 135.00 132.55 2ice s PRO 45 Ca 0.11 0.74 -0.02 0.00 0.05 0.00 0.00 61.00 61.88 2ice s PRO 45 Cb 0.01 -2.14 0.03 0.00 0.05 0.00 0.00 34.50 32.46 2ice s PRO 45 CO -0.04 -0.43 0.09 0.08 0.05 0.00 0.00 177.00 176.74 2ice s VAL 46 N -2.95 -0.12 -0.01 -0.36 1.01 -0.60 -4.94 120.40 112.43 2ice s VAL 46 Ca 0.55 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 2ice s VAL 46 Cb -0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 2ice s VAL 46 CO 0.46 0.13 1.69 -0.89 0.00 0.00 0.00 175.10 176.49 2ice s THR 47 N 1.74 3.38 -0.14 3.92 2.01 -1.26 -0.91 115.64 124.37 2ice s THR 47 Ca -0.01 0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.62 2ice s THR 47 Cb -0.12 -3.36 -0.13 0.00 0.01 0.00 0.00 72.50 68.89 2ice s THR 47 CO -0.04 -0.04 -0.04 2.30 -0.69 0.00 0.00 174.62 176.11 2ice n ILE 48 N 5.28 0.90 -4.40 1.82 -5.35 0.19 -4.53 119.36 113.27 2ice n ILE 48 Ca 0.17 -0.46 -0.21 0.00 -0.27 0.00 0.00 62.75 61.99 2ice n ILE 48 Cb 0.42 -0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 37.37 2ice n ILE 48 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2ice s PHE 49 N -2.32 1.93 -0.30 4.28 5.36 -0.79 -0.76 117.98 125.39 2ice s PHE 49 Ca -0.13 -0.51 -0.08 0.00 -0.96 0.00 0.00 56.93 55.25 2ice s PHE 49 Cb 0.05 -0.90 0.15 0.00 -0.34 0.00 0.00 43.02 41.97 2ice s PHE 49 CO 0.46 0.47 0.65 -1.17 -1.46 0.00 0.00 175.22 174.17 2ice s LEU 50 N -3.40 -1.18 -0.09 6.12 2.96 -0.40 -2.67 118.68 120.01 2ice s LEU 50 Ca 0.26 1.38 0.04 0.00 -0.22 0.00 0.00 54.13 55.59 2ice s LEU 50 Cb -0.02 2.25 -0.00 0.00 0.50 0.00 0.00 46.19 48.92 2ice s LEU 50 CO 0.10 -0.23 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.07 2ice s ARG 51 N 2.88 2.88 0.30 1.98 3.52 -0.27 -0.78 118.95 129.47 2ice s ARG 51 Ca 0.01 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 54.66 2ice s ARG 51 Cb -0.13 -2.22 0.03 0.00 -1.56 0.00 0.00 34.95 31.08 2ice s ARG 51 CO -0.19 0.21 0.55 -0.40 -0.81 0.00 0.00 175.30 174.65 2ice n ASP 52 N 3.42 -1.58 -0.29 -2.12 5.68 -0.76 -1.53 116.55 119.37 2ice n ASP 52 Ca -0.19 -2.36 0.29 0.00 -0.50 0.00 0.00 54.79 52.03 2ice n ASP 52 Cb 0.53 2.70 0.53 0.00 -1.14 0.00 0.00 41.12 43.74 2ice n ASP 52 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2ice n SER 53 N -1.53 0.30 -0.04 -1.12 3.41 -1.26 -0.78 113.62 112.61 2ice n SER 53 Ca -0.04 1.46 -0.16 0.00 -0.26 0.00 0.00 58.87 59.86 2ice n SER 53 Cb 0.47 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 2ice n SER 53 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ice h SER 54 N 0.00 0.84 0.00 4.04 4.64 -1.98 -3.50 113.55 117.59 2ice h SER 54 Ca 0.76 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2ice h SER 54 Cb 2.04 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2ice h SER 54 CO -0.66 1.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 2ice n GLY 55 N 0.63 -0.02 3.88 -0.77 0.00 0.04 -5.12 105.19 103.83 2ice n GLY 55 Ca -0.07 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2ice n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ice s ASP 56 N -4.00 6.56 -0.16 1.61 1.11 -1.26 -1.83 116.67 118.69 2ice s ASP 56 Ca 0.00 0.68 -0.04 0.00 0.18 0.00 0.00 52.55 53.37 2ice s ASP 56 Cb 0.00 -2.13 0.08 0.00 1.07 0.00 0.00 42.92 41.94 2ice s ASP 56 CO 0.00 0.13 0.26 -1.00 1.18 0.00 0.00 175.17 175.74 2ice s HIS 57 N -1.50 -0.41 -0.27 4.23 3.76 0.04 -4.98 115.29 116.16 2ice s HIS 57 Ca 0.36 0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 55.82 2ice s HIS 57 Cb -0.13 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 2ice s HIS 57 CO 0.20 -0.47 0.41 0.42 -0.85 0.00 0.00 174.74 174.46 2ice s ILE 58 N 2.40 5.15 -1.11 0.60 1.01 -1.26 -1.28 121.20 126.71 2ice s ILE 58 Ca 0.04 0.63 0.16 0.00 0.00 0.00 0.00 60.65 61.48 2ice s ILE 58 Cb -0.14 -3.73 0.54 0.00 0.01 0.00 0.00 42.46 39.14 2ice s ILE 58 CO -0.10 0.13 1.45 0.00 0.00 0.00 0.00 174.94 176.42 2ice n GLN 59 N 5.39 3.12 -3.66 2.79 1.13 0.06 -4.84 117.38 121.37 2ice n GLN 59 Ca -0.07 -2.55 -0.10 0.00 -1.94 0.00 0.00 57.00 52.34 2ice n GLN 59 Cb 0.50 -1.60 -0.11 0.00 0.11 0.00 0.00 30.24 29.14 2ice n GLN 59 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ice s GLN 60 N -1.50 0.27 0.60 -1.09 -1.52 -1.26 -4.89 119.66 110.27 2ice s GLN 60 Ca 0.40 0.92 0.36 0.00 -1.95 0.00 0.00 55.36 55.09 2ice s GLN 60 Cb 0.24 0.19 1.93 0.00 -0.22 0.00 0.00 33.01 35.16 2ice s GLN 60 CO 0.21 -0.26 2.23 0.00 -0.25 0.00 0.00 175.29 177.22 2ice h ALA 61 N 8.14 1.17 0.00 6.09 0.00 -1.97 -2.39 119.26 130.30 2ice h ALA 61 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ice h ALA 61 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ice h ALA 61 CO 0.14 0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.78 2ice n LYS 62 N -3.36 0.29 0.00 0.00 2.85 -1.26 -2.52 118.16 114.16 2ice n LYS 62 Ca -0.02 0.10 0.06 0.00 -1.05 0.00 0.00 58.31 57.40 2ice n LYS 62 Cb 0.15 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.96 2ice n LYS 62 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2ice n TYR 63 N -1.24 0.00 -1.67 5.58 4.01 -0.90 -4.88 117.16 118.06 2ice n TYR 63 Ca 0.09 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.39 2ice n TYR 63 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2ice n TYR 63 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2ice n GLN 64 N -1.20 2.72 0.00 -0.72 6.02 -1.05 -1.55 117.38 121.59 2ice n GLN 64 Ca 0.03 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 2ice n GLN 64 Cb 0.20 -2.93 0.00 0.00 1.02 0.00 0.00 30.24 28.54 2ice n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ice n GLY 65 N 4.51 2.82 0.74 1.08 0.00 -1.26 -4.82 105.19 108.26 2ice n GLY 65 Ca 0.21 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2ice n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ice n ARG 66 N 0.00 2.00 -4.78 1.61 1.74 -0.60 -4.92 116.66 111.72 2ice n ARG 66 Ca 0.00 -1.48 -0.26 0.00 -0.77 0.00 0.00 57.85 55.34 2ice n ARG 66 Cb 0.00 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 29.82 2ice n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ice s LEU 67 N -1.83 1.86 -0.11 0.55 0.20 -1.10 -0.94 118.68 117.30 2ice s LEU 67 Ca 0.34 -0.34 -0.09 0.00 0.69 0.00 0.00 54.13 54.73 2ice s LEU 67 Cb 0.20 -0.94 0.04 0.00 -0.43 0.00 0.00 46.19 45.06 2ice s LEU 67 CO 0.31 0.12 0.29 -1.00 -0.29 0.00 0.00 176.35 175.78 2ice s HIS 68 N 0.21 -0.35 -0.20 5.38 3.76 -0.71 -5.01 115.29 118.37 2ice s HIS 68 Ca -0.07 0.84 0.01 0.00 -0.15 0.00 0.00 55.06 55.68 2ice s HIS 68 Cb -0.13 0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.70 2ice s HIS 68 CO 0.03 -0.20 -0.17 0.08 -0.85 0.00 0.00 174.74 173.63 2ice s VAL 69 N 0.59 2.23 0.38 -0.90 1.01 -1.26 0.58 120.40 123.02 2ice s VAL 69 Ca -0.04 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 2ice s VAL 69 Cb -0.05 -2.00 -0.15 0.00 0.00 0.00 0.00 36.38 34.18 2ice s VAL 69 CO -0.03 0.45 0.11 -0.24 0.00 0.00 0.00 175.10 175.39 2ice n SER 70 N 4.62 -2.67 -0.61 3.32 2.88 -0.39 -4.92 113.62 115.84 2ice n SER 70 Ca -0.20 0.81 -0.01 0.00 -1.33 0.00 0.00 58.87 58.14 2ice n SER 70 Cb 0.49 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 63.09 2ice n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ice n HIS 71 N -0.91 0.00 0.00 0.66 1.44 -1.26 -4.45 115.22 110.70 2ice n HIS 71 Ca 0.11 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2ice n HIS 71 Cb 0.38 0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.67 2ice n HIS 71 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2ice n LYS 72 N 0.03 0.00 -1.97 -1.40 4.76 -1.26 -4.89 118.16 113.43 2ice n LYS 72 Ca -0.03 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 2ice n LYS 72 Cb 0.61 -0.36 -0.03 0.00 -1.84 0.00 0.00 35.03 33.41 2ice n LYS 72 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ice s VAL 73 N -0.45 3.52 0.03 -0.18 1.01 -1.26 -4.96 120.40 118.11 2ice s VAL 73 Ca 0.00 0.62 -0.33 0.00 0.00 0.00 0.00 61.98 62.27 2ice s VAL 73 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 2ice s VAL 73 CO 0.00 -0.07 1.84 -2.65 0.00 0.00 0.00 175.10 174.22 2ice n PRO 74 N 7.22 2.45 0.00 2.72 -0.02 -1.26 -1.39 135.00 144.72 2ice n PRO 74 Ca 0.18 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2ice n PRO 74 Cb 0.43 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2ice n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ice n GLY 75 N 4.23 1.93 3.29 -1.23 0.00 -1.26 -4.77 105.19 107.38 2ice n GLY 75 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2ice n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ice s ASP 76 N -1.98 5.51 -0.26 1.61 2.15 -0.48 -0.42 116.67 122.79 2ice s ASP 76 Ca 0.00 -1.23 0.11 0.00 0.43 0.00 0.00 52.55 51.86 2ice s ASP 76 Cb 0.00 -1.94 0.46 0.00 -0.30 0.00 0.00 42.92 41.14 2ice s ASP 76 CO 0.00 -0.41 1.18 1.33 -0.17 0.00 0.00 175.17 177.11 2ice n VAL 77 N 4.88 2.20 -1.38 1.11 0.24 -0.56 -4.09 118.33 120.73 2ice n VAL 77 Ca -0.11 -3.75 -0.32 0.00 -2.04 0.00 0.00 64.34 58.12 2ice n VAL 77 Cb 0.44 -0.56 0.08 0.00 -1.47 0.00 0.00 33.84 32.34 2ice n VAL 77 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ice s SER 78 N -3.51 4.55 -0.09 -1.34 0.01 -1.17 -4.58 113.70 107.57 2ice s SER 78 Ca 0.45 1.94 0.03 0.00 1.31 0.00 0.00 55.95 59.68 2ice s SER 78 Cb 0.39 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 2ice s SER 78 CO 0.00 -2.01 -0.20 -0.22 0.41 0.00 0.00 173.24 171.23 2ice s LEU 79 N -5.60 2.37 -0.22 2.44 2.96 0.05 -1.26 118.68 119.42 2ice s LEU 79 Ca 0.64 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2ice s LEU 79 Cb -0.19 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.05 2ice s LEU 79 CO 0.51 0.22 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.51 2ice s GLN 80 N 0.02 2.67 -0.06 1.98 1.11 0.20 -0.01 119.66 125.57 2ice s GLN 80 Ca -0.07 -1.05 -0.11 0.00 0.01 0.00 0.00 55.36 54.13 2ice s GLN 80 Cb -0.15 -2.74 -0.05 0.00 -1.01 0.00 0.00 33.01 29.06 2ice s GLN 80 CO 0.05 -0.37 0.28 -0.51 0.01 0.00 0.00 175.29 174.75 2ice s LEU 81 N 1.22 4.44 0.10 2.90 1.02 -1.07 -1.73 118.68 125.55 2ice s LEU 81 Ca -0.01 0.74 0.07 0.00 0.02 0.00 0.00 54.13 54.94 2ice s LEU 81 Cb -0.16 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 2ice s LEU 81 CO -0.09 0.36 -0.09 -0.94 0.02 0.00 0.00 176.35 175.61 2ice s SER 82 N -1.05 4.44 -0.99 2.29 1.04 -0.12 -1.77 113.70 117.54 2ice s SER 82 Ca 0.20 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.21 2ice s SER 82 Cb -0.15 -0.87 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 2ice s SER 82 CO 0.09 0.18 0.87 0.41 0.98 0.00 0.00 173.24 175.78 2ice n THR 83 N 0.75 -9.26 -1.73 2.02 -1.04 -0.26 -4.79 114.28 99.97 2ice n THR 83 Ca -0.13 -1.12 -0.42 0.00 -2.04 0.00 0.00 64.05 60.34 2ice n THR 83 Cb 0.52 -6.52 -0.03 0.00 -1.82 0.00 0.00 70.33 62.48 2ice n THR 83 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2ice s LEU 84 N -5.16 4.36 0.16 -4.42 1.02 0.09 -4.73 118.68 110.00 2ice s LEU 84 Ca 0.37 2.90 0.04 0.00 0.02 0.00 0.00 54.13 57.47 2ice s LEU 84 Cb -0.05 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.51 2ice s LEU 84 CO 0.75 -0.97 0.18 -1.61 0.02 0.00 0.00 176.35 174.72 2ice s GLU 85 N 0.71 3.05 0.51 1.70 2.02 -1.26 -1.47 118.70 123.95 2ice s GLU 85 Ca 0.72 -0.79 0.19 0.00 0.02 0.00 0.00 54.97 55.11 2ice s GLU 85 Cb -0.49 -2.74 1.27 0.00 0.10 0.00 0.00 34.13 32.27 2ice s GLU 85 CO 0.37 0.50 2.07 0.52 0.02 0.00 0.00 175.26 178.74 2ice h MET 86 N 2.36 0.07 0.00 1.61 2.86 -1.97 0.29 114.93 120.15 2ice h MET 86 Ca -0.48 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2ice h MET 86 Cb 1.20 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2ice h MET 86 CO 0.65 0.04 0.00 0.22 1.06 0.00 0.00 176.91 178.88 2ice h ASP 87 N 0.07 0.00 1.18 1.22 3.58 -2.01 -2.40 116.42 118.06 2ice h ASP 87 Ca 0.13 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2ice h ASP 87 Cb 0.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 2ice h ASP 87 CO -0.01 0.00 -0.09 0.44 -2.88 0.00 0.00 179.24 176.70 2ice h ASP 88 N 0.00 0.00 -1.48 2.28 3.32 -1.33 -3.44 116.42 115.77 2ice h ASP 88 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 2ice h ASP 88 Cb 0.27 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2ice h ASP 88 CO 0.00 0.09 1.09 0.54 -1.72 0.00 0.00 179.24 179.24 2ice n ARG 89 N -3.19 1.30 0.00 3.56 1.74 -0.91 -4.83 116.66 114.34 2ice n ARG 89 Ca 0.01 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2ice n ARG 89 Cb 0.40 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 2ice n ARG 89 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ice n SER 90 N 6.83 0.00 -4.68 0.55 2.88 -1.12 -5.04 113.62 113.03 2ice n SER 90 Ca 0.30 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.43 2ice n SER 90 Cb 0.18 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.60 2ice n SER 90 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2ice s HIS 91 N -2.00 3.46 -0.09 0.66 3.76 -1.26 -1.01 115.29 118.81 2ice s HIS 91 Ca 0.00 1.26 -0.00 0.00 -0.15 0.00 0.00 55.06 56.17 2ice s HIS 91 Cb 0.00 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 2ice s HIS 91 CO 0.00 -0.16 -0.07 0.71 -0.85 0.00 0.00 174.74 174.37 2ice s TYR 92 N 1.79 2.93 -0.14 1.40 2.02 0.73 -0.51 117.35 125.56 2ice s TYR 92 Ca 0.38 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2ice s TYR 92 Cb -0.17 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2ice s TYR 92 CO 0.14 0.17 -0.14 0.99 -1.57 0.00 0.00 175.55 175.14 2ice s THR 93 N -0.39 2.82 -0.18 -0.71 2.01 -0.10 -0.40 115.64 118.68 2ice s THR 93 Ca 0.06 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 2ice s THR 93 Cb -0.12 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2ice s THR 93 CO 0.02 0.52 0.10 0.00 -0.69 0.00 0.00 174.62 174.57 2ice s GLU 95 N 0.25 0.02 0.08 0.00 2.12 0.02 -0.79 118.70 120.40 2ice s GLU 95 Ca 0.06 0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.65 2ice s GLU 95 Cb -0.12 -1.10 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 2ice s GLU 95 CO -0.01 -0.50 -0.09 0.08 -0.54 0.00 0.00 175.26 174.20 2ice s VAL 96 N 2.19 3.46 -0.13 3.70 1.01 -0.17 -1.04 120.40 129.43 2ice s VAL 96 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 2ice s VAL 96 Cb -0.14 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2ice s VAL 96 CO -0.07 0.17 -0.02 -0.89 0.00 0.00 0.00 175.10 174.30 2ice s THR 97 N -1.18 0.67 0.13 3.92 2.01 -0.76 -1.55 115.64 118.88 2ice s THR 97 Ca 0.21 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2ice s THR 97 Cb -0.11 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2ice s THR 97 CO 0.13 0.15 0.06 0.26 -0.69 0.00 0.00 174.62 174.52 2ice s TRP 98 N 1.83 3.04 -0.13 4.92 0.51 -0.13 -1.49 118.94 127.50 2ice s TRP 98 Ca 0.03 -0.03 -0.04 0.00 -2.12 0.00 0.00 56.10 53.94 2ice s TRP 98 Cb -0.14 -1.51 -0.03 0.00 -0.81 0.00 0.00 33.47 30.98 2ice s TRP 98 CO -0.07 0.51 0.02 -1.14 -0.51 0.00 0.00 176.95 175.76 2ice s GLN 99 N -2.70 3.46 -0.09 4.98 0.74 0.18 -0.63 119.66 125.60 2ice s GLN 99 Ca 0.28 -0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.26 2ice s GLN 99 Cb -0.11 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 2ice s GLN 99 CO 0.21 0.49 0.11 0.95 -0.55 0.00 0.00 175.29 176.50 2ice s THR 100 N -0.28 5.17 0.57 -0.34 -4.23 -0.65 -1.93 115.64 113.95 2ice s THR 100 Ca 0.07 0.01 0.42 0.00 -1.18 0.00 0.00 61.69 61.00 2ice s THR 100 Cb -0.12 -3.27 0.61 0.00 1.34 0.00 0.00 72.50 71.06 2ice s THR 100 CO 0.02 0.56 1.59 1.55 -0.54 0.00 0.00 174.62 177.79 2ice h PRO 101 N 4.80 0.00 -0.02 3.99 0.13 -1.89 0.45 132.00 139.45 2ice h PRO 101 Ca -0.53 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.43 2ice h PRO 101 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2ice h PRO 101 CO 0.59 0.00 -0.75 0.38 -0.23 0.00 0.00 178.00 177.99 2ice h ASP 102 N 0.00 0.22 0.00 1.44 2.03 -1.95 -3.47 116.42 114.68 2ice h ASP 102 Ca 0.73 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 2ice h ASP 102 Cb 3.14 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 41.57 2ice h ASP 102 CO -0.01 0.89 0.00 0.61 -1.03 0.00 0.00 179.24 179.70 2ice n GLY 103 N 0.59 2.16 3.77 7.15 0.00 0.16 -5.14 105.19 113.88 2ice n GLY 103 Ca -0.03 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2ice n GLY 103 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ice s ASN 104 N 0.00 5.02 0.12 1.61 0.02 -1.25 -4.64 114.94 115.82 2ice s ASN 104 Ca 0.00 2.03 0.04 0.00 -1.02 0.00 0.00 52.86 53.91 2ice s ASN 104 Cb 0.00 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.68 2ice s ASN 104 CO 0.00 -1.69 0.08 -1.10 0.02 0.00 0.00 177.10 174.41 2ice s GLN 105 N -4.09 2.79 0.04 -0.60 -0.21 -1.26 -1.64 119.66 114.69 2ice s GLN 105 Ca 0.67 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 55.28 2ice s GLN 105 Cb -0.21 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 2ice s GLN 105 CO 0.42 0.52 -0.10 0.14 -2.12 0.00 0.00 175.29 174.15 2ice s VAL 106 N -1.53 0.80 -0.04 1.09 -7.23 0.20 -4.98 120.40 108.71 2ice s VAL 106 Ca 0.29 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 2ice s VAL 106 Cb -0.11 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.04 2ice s VAL 106 CO 0.22 -0.16 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.95 2ice s VAL 107 N -1.00 1.73 0.02 1.32 1.01 -1.26 -0.95 120.40 121.26 2ice s VAL 107 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2ice s VAL 107 Cb -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2ice s VAL 107 CO 0.01 0.49 -0.06 -0.13 0.00 0.00 0.00 175.10 175.41 2ice s ARG 108 N -0.24 0.42 0.06 2.72 1.81 -0.60 -5.03 118.95 118.10 2ice s ARG 108 Ca 0.01 -0.43 -0.06 0.00 -1.72 0.00 0.00 55.73 53.53 2ice s ARG 108 Cb -0.11 -0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 34.09 2ice s ARG 108 CO 0.01 0.07 0.12 0.16 -0.68 0.00 0.00 175.30 174.98 2ice s ASP 109 N -0.79 0.20 -0.12 0.23 -4.77 -1.26 -1.00 116.67 109.16 2ice s ASP 109 Ca -0.04 -0.67 -0.16 0.00 -3.30 0.00 0.00 52.55 48.38 2ice s ASP 109 Cb -0.06 0.28 0.04 0.00 -1.09 0.00 0.00 42.92 42.09 2ice s ASP 109 CO -0.00 -0.64 0.41 -0.75 0.70 0.00 0.00 175.17 174.89 2ice s LYS 110 N -3.46 0.56 -0.21 2.11 2.20 0.03 -4.98 119.74 115.98 2ice s LYS 110 Ca 0.02 0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.95 2ice s LYS 110 Cb 0.04 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 2ice s LYS 110 CO -0.09 -0.10 0.06 0.42 -0.36 0.00 0.00 175.35 175.28 2ice s ILE 111 N -0.22 4.52 0.03 5.43 1.01 -1.26 -1.44 121.20 129.27 2ice s ILE 111 Ca -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2ice s ILE 111 Cb -0.03 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2ice s ILE 111 CO 0.02 0.40 0.01 0.28 0.00 0.00 0.00 174.94 175.64 2ice s THR 112 N 0.99 4.15 -0.49 2.92 -1.32 0.46 -4.78 115.64 117.57 2ice s THR 112 Ca 0.04 -0.70 -0.16 0.00 -1.21 0.00 0.00 61.69 59.65 2ice s THR 112 Cb -0.14 -2.89 0.07 0.00 -1.51 0.00 0.00 72.50 68.03 2ice s THR 112 CO 0.03 0.30 0.46 -0.70 -2.21 0.00 0.00 174.62 172.49 2ice s GLU 113 N -1.79 3.01 0.01 7.08 -6.30 -1.09 -0.19 118.70 119.43 2ice s GLU 113 Ca 0.22 -1.26 -0.30 0.00 -2.50 0.00 0.00 54.97 51.12 2ice s GLU 113 Cb -0.12 -4.14 -0.04 0.00 0.00 0.00 0.00 34.13 29.84 2ice s GLU 113 CO 0.13 -1.09 1.06 -1.17 0.02 0.00 0.00 175.26 174.21 2ice s LEU 114 N 1.88 4.36 0.11 2.70 2.96 -0.18 -2.13 118.68 128.38 2ice s LEU 114 Ca 0.07 1.78 0.09 0.00 -0.22 0.00 0.00 54.13 55.84 2ice s LEU 114 Cb -0.23 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 2ice s LEU 114 CO 0.08 -0.35 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.44 2ice s ARG 115 N 1.13 1.82 -0.19 1.98 0.52 0.33 -2.81 118.95 121.74 2ice s ARG 115 Ca 0.54 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 2ice s ARG 115 Cb -0.24 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.15 2ice s ARG 115 CO 0.28 0.49 -0.10 0.08 0.02 0.00 0.00 175.30 176.06 2ice s VAL 116 N -1.11 1.57 -0.17 3.52 1.01 -1.26 -0.78 120.40 123.17 2ice s VAL 116 Ca 0.17 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 2ice s VAL 116 Cb -0.11 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2ice s VAL 116 CO 0.09 0.20 0.31 -1.10 0.00 0.00 0.00 175.10 174.60 2ice s GLN 117 N 1.44 4.23 0.00 2.72 -0.21 0.50 -4.85 119.66 123.49 2ice s GLN 117 Ca -0.00 0.11 0.21 0.00 0.02 0.00 0.00 55.36 55.70 2ice s GLN 117 Cb -0.16 -3.46 1.26 0.00 1.00 0.00 0.00 33.01 31.66 2ice s GLN 117 CO -0.08 0.16 1.64 1.17 -2.12 0.00 0.00 175.29 176.06