#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4x s GLN 2 N 0.00 3.26 -0.30 0.54 0.74 -1.26 -5.10 119.66 117.54 2i4x s GLN 2 Ca 0.00 -0.74 -0.08 0.00 0.05 0.00 0.00 55.36 54.59 2i4x s GLN 2 Cb 0.00 -2.60 -0.00 0.00 1.10 0.00 0.00 33.01 31.50 2i4x s GLN 2 CO 0.00 0.09 0.12 0.42 -0.55 0.00 0.00 175.29 175.37 2i4x s ILE 3 N 0.63 4.32 0.77 -2.34 1.01 -1.26 -5.10 121.20 119.23 2i4x s ILE 3 Ca -0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2i4x s ILE 3 Cb -0.16 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.17 2i4x s ILE 3 CO 0.03 0.09 1.10 0.28 0.00 0.00 0.00 174.94 176.44 2i4x s THR 4 N 1.57 3.21 -0.96 2.92 -1.32 -1.26 -4.98 115.64 114.81 2i4x s THR 4 Ca 0.04 0.41 0.11 0.00 -1.21 0.00 0.00 61.69 61.04 2i4x s THR 4 Cb -0.17 -2.86 0.28 0.00 -1.51 0.00 0.00 72.50 68.24 2i4x s THR 4 CO 0.04 -0.49 1.21 0.18 -2.21 0.00 0.00 174.62 173.35 2i4x n LEU 5 N -3.46 2.82 0.00 9.08 4.77 -1.26 -4.55 117.00 124.41 2i4x n LEU 5 Ca 0.09 -1.91 0.13 0.00 -0.03 0.00 0.00 56.01 54.30 2i4x n LEU 5 Cb 0.53 -0.21 0.57 0.00 -2.33 0.00 0.00 43.42 41.98 2i4x n LEU 5 CO 0.52 0.69 1.16 -0.50 -1.33 0.00 0.00 177.39 177.94 2i4x h TRP 6 N 2.02 0.25 -2.64 -1.77 -0.00 -2.06 -3.42 115.95 108.33 2i4x h TRP 6 Ca 0.00 0.01 -0.50 0.00 -0.00 0.00 0.00 58.89 58.40 2i4x h TRP 6 Cb 0.70 -0.08 -0.14 0.00 -0.00 0.00 0.00 29.16 29.64 2i4x h TRP 6 CO 0.21 0.13 -0.60 -0.65 -0.00 0.00 0.00 178.44 177.52 2i4x s GLN 7 N -5.24 1.72 0.09 0.49 1.11 -1.26 -5.11 119.66 111.46 2i4x s GLN 7 Ca -0.07 -1.97 -0.31 0.00 0.01 0.00 0.00 55.36 53.03 2i4x s GLN 7 Cb 0.19 -0.96 -0.09 0.00 -1.01 0.00 0.00 33.01 31.14 2i4x s GLN 7 CO 0.73 -0.19 1.65 1.03 0.01 0.00 0.00 175.29 178.52 2i4x s ARG 8 N -3.86 4.19 -1.16 2.91 0.52 -1.26 -4.89 118.95 115.41 2i4x s ARG 8 Ca 0.35 2.37 -0.22 0.00 -0.52 0.00 0.00 55.73 57.71 2i4x s ARG 8 Cb 0.08 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 2i4x s ARG 8 CO 0.16 -0.72 1.86 -1.25 0.02 0.00 0.00 175.30 175.36 2i4x s PRO 9 N 2.34 2.93 0.17 3.54 0.04 -1.26 -4.96 135.00 137.80 2i4x s PRO 9 Ca 0.74 -1.22 -0.15 0.00 0.04 0.00 0.00 61.00 60.40 2i4x s PRO 9 Cb -0.41 -5.29 -0.07 0.00 0.04 0.00 0.00 34.50 28.76 2i4x s PRO 9 CO 0.32 -3.36 0.60 -0.51 0.04 0.00 0.00 177.00 174.09 2i4x s LEU 10 N 8.85 4.33 0.08 -3.56 1.43 -1.26 -1.43 118.68 127.12 2i4x s LEU 10 Ca 0.64 1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 54.87 2i4x s LEU 10 Cb -0.01 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 2i4x s LEU 10 CO 0.08 0.07 0.06 0.68 0.23 0.00 0.00 176.35 177.47 2i4x s VAL 11 N -1.50 0.17 -0.21 -1.59 -7.23 -0.36 -4.96 120.40 104.72 2i4x s VAL 11 Ca 0.40 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 2i4x s VAL 11 Cb -0.15 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2i4x s VAL 11 CO 0.20 -0.76 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.30 2i4x s THR 12 N -3.94 3.56 0.19 5.32 2.01 -1.26 -0.83 115.64 120.69 2i4x s THR 12 Ca 0.11 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.74 2i4x s THR 12 Cb 0.07 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2i4x s THR 12 CO -0.07 0.43 0.08 0.27 -0.69 0.00 0.00 174.62 174.64 2i4x s ILE 13 N 1.21 4.07 -0.22 1.82 -4.36 0.19 -4.54 121.20 119.37 2i4x s ILE 13 Ca 0.03 -1.35 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2i4x s ILE 13 Cb -0.14 -3.10 0.01 0.00 1.25 0.00 0.00 42.46 40.48 2i4x s ILE 13 CO -0.00 -0.18 -0.09 -0.75 0.24 0.00 0.00 174.94 174.16 2i4x s LYS 14 N -3.22 3.11 -0.15 0.37 2.47 -0.51 -1.48 119.74 120.33 2i4x s LYS 14 Ca 0.30 -0.79 -0.08 0.00 -1.56 0.00 0.00 55.97 53.85 2i4x s LYS 14 Cb -0.09 -2.87 0.06 0.00 -1.46 0.00 0.00 37.83 33.47 2i4x s LYS 14 CO 0.21 -0.26 0.35 -1.50 0.16 0.00 0.00 175.35 174.32 2i4x s ILE 15 N 1.38 -0.11 -1.55 5.43 2.07 -0.27 -1.44 121.20 126.71 2i4x s ILE 15 Ca 0.04 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.36 2i4x s ILE 15 Cb -0.15 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 41.92 2i4x s ILE 15 CO -0.06 0.05 0.57 0.61 -1.91 0.00 0.00 174.94 174.20 2i4x n GLY 16 N 4.43 -0.52 2.26 1.50 0.00 -1.26 -1.27 105.19 110.34 2i4x n GLY 16 Ca -0.21 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 2i4x n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4x n GLY 17 N -1.48 0.56 3.39 -0.02 0.00 -1.26 -5.02 105.19 101.36 2i4x n GLY 17 Ca -0.11 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2i4x n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i4x s GLN 18 N -1.40 1.42 -0.28 1.61 -0.21 -0.39 -5.12 119.66 115.28 2i4x s GLN 18 Ca 0.00 -1.46 -0.07 0.00 0.02 0.00 0.00 55.36 53.86 2i4x s GLN 18 Cb 0.00 -1.68 -0.00 0.00 1.00 0.00 0.00 33.01 32.33 2i4x s GLN 18 CO 0.00 0.36 0.07 -0.51 -2.12 0.00 0.00 175.29 173.10 2i4x s LEU 19 N -2.57 3.69 -0.04 2.90 1.43 -1.26 -1.11 118.68 121.72 2i4x s LEU 19 Ca 0.18 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2i4x s LEU 19 Cb -0.08 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2i4x s LEU 19 CO 0.08 -0.14 -0.18 -0.54 0.23 0.00 0.00 176.35 175.80 2i4x s LYS 20 N 1.54 1.80 -0.04 1.70 1.02 -0.55 -4.97 119.74 120.23 2i4x s LYS 20 Ca 0.04 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 2i4x s LYS 20 Cb -0.16 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 2i4x s LYS 20 CO 0.03 0.30 0.67 -2.00 -0.92 0.00 0.00 175.35 173.43 2i4x s GLU 21 N -0.11 4.41 0.12 1.68 2.12 -1.26 -0.64 118.70 125.02 2i4x s GLU 21 Ca -0.01 0.84 -0.01 0.00 0.36 0.00 0.00 54.97 56.15 2i4x s GLU 21 Cb -0.11 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2i4x s GLU 21 CO 0.02 0.16 0.04 0.00 -0.54 0.00 0.00 175.26 174.93 2i4x s ALA 22 N 0.48 0.84 -0.28 6.30 0.00 -0.01 -4.59 121.76 124.49 2i4x s ALA 22 Ca 0.35 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 2i4x s ALA 22 Cb -0.18 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 2i4x s ALA 22 CO 0.18 -0.45 0.23 -1.17 0.00 0.00 0.00 175.76 174.54 2i4x s LEU 23 N -3.03 4.05 -0.49 0.00 2.96 0.30 -1.23 118.68 121.24 2i4x s LEU 23 Ca 0.21 0.03 -0.27 0.00 -0.22 0.00 0.00 54.13 53.88 2i4x s LEU 23 Cb 0.07 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2i4x s LEU 23 CO -0.00 -0.09 2.01 -0.76 -1.32 0.00 0.00 176.35 176.19 2i4x s LEU 24 N 1.82 3.38 -0.33 -0.68 1.43 -0.51 -0.03 118.68 123.76 2i4x s LEU 24 Ca 0.09 0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2i4x s LEU 24 Cb -0.16 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.32 2i4x s LEU 24 CO 0.11 -2.33 0.05 -0.62 0.23 0.00 0.00 176.35 173.79 2i4x s ASP 25 N 8.72 4.91 0.47 2.29 -1.08 -0.16 -4.80 116.67 127.02 2i4x s ASP 25 Ca 0.80 -1.64 0.30 0.00 -0.52 0.00 0.00 52.55 51.50 2i4x s ASP 25 Cb -0.17 -1.71 1.16 0.00 -1.46 0.00 0.00 42.92 40.73 2i4x s ASP 25 CO 0.26 -0.35 1.88 0.71 0.52 0.00 0.00 175.17 178.20 2i4x h THR 26 N 6.50 0.00 -0.01 1.71 1.35 -1.91 -2.17 112.91 118.39 2i4x h THR 26 Ca -0.16 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2i4x h THR 26 Cb 1.05 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2i4x h THR 26 CO 0.56 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 176.32 2i4x n GLY 27 N 0.21 -0.71 3.50 5.82 0.00 -1.26 -4.77 105.19 107.98 2i4x n GLY 27 Ca 0.01 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2i4x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4x s ALA 28 N -2.37 3.40 0.12 4.61 0.00 -0.81 -4.98 121.76 121.72 2i4x s ALA 28 Ca 0.30 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 2i4x s ALA 28 Cb 0.20 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.78 2i4x s ALA 28 CO 0.46 -0.81 1.74 -0.44 0.00 0.00 0.00 175.76 176.71 2i4x h ASP 29 N 8.39 0.28 -1.90 0.00 3.32 -1.86 0.15 116.42 124.81 2i4x h ASP 29 Ca -0.33 -0.05 -0.62 0.00 0.02 0.00 0.00 57.03 56.05 2i4x h ASP 29 Cb 1.16 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 2i4x h ASP 29 CO 0.60 0.25 -0.67 -1.81 -1.72 0.00 0.00 179.24 175.90 2i4x s ASP 30 N -5.47 3.76 0.03 6.45 1.01 -1.26 -2.02 116.67 119.16 2i4x s ASP 30 Ca -0.13 -1.21 -0.30 0.00 0.71 0.00 0.00 52.55 51.62 2i4x s ASP 30 Cb 0.08 -0.36 -0.04 0.00 1.01 0.00 0.00 42.92 43.62 2i4x s ASP 30 CO 0.70 -0.23 0.97 -0.89 0.21 0.00 0.00 175.17 175.93 2i4x s THR 31 N -2.62 4.78 -0.10 -1.27 2.01 -1.26 -3.56 115.64 113.62 2i4x s THR 31 Ca 0.33 2.06 0.01 0.00 0.31 0.00 0.00 61.69 64.40 2i4x s THR 31 Cb 0.03 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2i4x s THR 31 CO 0.17 0.20 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 2i4x s VAL 32 N 0.76 1.31 0.16 3.82 1.01 -0.54 -1.10 120.40 125.83 2i4x s VAL 32 Ca 0.51 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.06 2i4x s VAL 32 Cb -0.22 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2i4x s VAL 32 CO 0.28 0.41 -0.20 -0.76 0.00 0.00 0.00 175.10 174.83 2i4x s LEU 33 N 1.14 2.42 0.92 3.92 1.43 0.11 -1.63 118.68 126.99 2i4x s LEU 33 Ca -0.04 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 2i4x s LEU 33 Cb -0.14 -0.91 0.15 0.00 0.03 0.00 0.00 46.19 45.31 2i4x s LEU 33 CO -0.03 0.01 1.10 -1.83 0.23 0.00 0.00 176.35 175.83 2i4x s GLU 34 N -2.66 1.01 -0.09 1.70 -1.05 -1.25 -1.35 118.70 115.02 2i4x s GLU 34 Ca 0.16 1.15 -0.41 0.00 -0.15 0.00 0.00 54.97 55.72 2i4x s GLU 34 Cb -0.07 -1.76 -0.19 0.00 -0.44 0.00 0.00 34.13 31.67 2i4x s GLU 34 CO 0.07 -2.51 1.23 0.39 0.95 0.00 0.00 175.26 175.40 2i4x n GLU 35 N -4.11 0.20 -3.52 -4.83 -0.58 -1.15 -4.56 120.64 102.10 2i4x n GLU 35 Ca 0.08 0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.80 2i4x n GLU 35 Cb 0.53 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 2i4x n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i4x s MET 36 N 0.77 1.10 -0.12 3.49 0.23 -1.26 -5.04 119.30 118.47 2i4x s MET 36 Ca 0.93 -0.44 -0.15 0.00 -1.03 0.00 0.00 55.69 55.00 2i4x s MET 36 Cb -1.26 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 32.47 2i4x s MET 36 CO 0.61 -0.48 0.34 0.45 -2.03 0.00 0.00 175.02 173.91 2i4x s SER 37 N -2.66 6.55 0.08 -1.18 0.15 -1.26 -5.04 113.70 110.35 2i4x s SER 37 Ca 0.04 0.65 0.04 0.00 0.70 0.00 0.00 55.95 57.38 2i4x s SER 37 Cb -0.01 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 2i4x s SER 37 CO -0.09 0.14 -0.10 -0.76 1.20 0.00 0.00 173.24 173.63 2i4x s LEU 38 N 0.13 2.36 0.73 3.45 1.43 -1.26 -4.96 118.68 120.56 2i4x s LEU 38 Ca 0.20 -0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 52.48 2i4x s LEU 38 Cb -0.14 -0.30 0.06 0.00 0.03 0.00 0.00 46.19 45.84 2i4x s LEU 38 CO 0.07 -0.23 1.06 -2.16 0.23 0.00 0.00 176.35 175.32 2i4x s PRO 39 N -2.43 2.19 0.00 1.29 0.04 -1.26 -4.99 135.00 129.84 2i4x s PRO 39 Ca 0.01 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2i4x s PRO 39 Cb -0.05 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2i4x s PRO 39 CO 0.00 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2i4x n GLY 40 N -3.03 -1.18 3.90 0.56 0.00 -1.26 -4.96 105.19 99.22 2i4x n GLY 40 Ca 0.08 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2i4x n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i4x s ARG 41 N -1.08 3.31 0.15 1.61 3.03 -1.26 -5.10 118.95 119.61 2i4x s ARG 41 Ca 0.00 0.28 -0.05 0.00 2.03 0.00 0.00 55.73 57.99 2i4x s ARG 41 Cb 0.00 -2.25 -0.02 0.00 -1.03 0.00 0.00 34.95 31.65 2i4x s ARG 41 CO 0.00 -0.50 0.18 1.67 -1.13 0.00 0.00 175.30 175.52 2i4x s TRP 42 N -2.96 0.64 -0.03 5.89 1.48 -1.26 -4.54 118.94 118.16 2i4x s TRP 42 Ca 0.52 -1.00 0.04 0.00 -1.06 0.00 0.00 56.10 54.60 2i4x s TRP 42 Cb -0.11 -0.27 -0.01 0.00 -1.16 0.00 0.00 33.47 31.93 2i4x s TRP 42 CO 0.48 -0.63 -0.14 0.15 -4.06 0.00 0.00 176.95 172.75 2i4x s LYS 43 N -4.01 1.33 0.40 3.25 1.02 -0.89 -4.90 119.74 115.94 2i4x s LYS 43 Ca 0.21 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.45 2i4x s LYS 43 Cb 0.05 -1.22 -0.08 0.00 -0.52 0.00 0.00 37.83 36.06 2i4x s LYS 43 CO 0.01 0.24 1.14 -1.25 -0.92 0.00 0.00 175.35 174.58 2i4x s PRO 44 N -0.08 4.07 0.04 -1.68 0.04 -1.26 -0.46 135.00 135.66 2i4x s PRO 44 Ca 0.00 1.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 2i4x s PRO 44 Cb -0.08 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.84 2i4x s PRO 44 CO 0.01 -0.29 0.33 0.21 0.04 0.00 0.00 177.00 177.30 2i4x s LYS 45 N -2.35 0.83 -0.17 4.56 2.20 -0.33 -4.89 119.74 119.58 2i4x s LYS 45 Ca 0.57 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2i4x s LYS 45 Cb -0.29 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 2i4x s LYS 45 CO 0.36 -0.27 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.25 2i4x s MET 46 N -2.52 3.03 -0.03 4.03 -1.94 -1.26 -0.49 119.30 120.12 2i4x s MET 46 Ca -0.05 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2i4x s MET 46 Cb -0.01 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 2i4x s MET 46 CO -0.03 -0.16 -0.14 0.96 -0.01 0.00 0.00 175.02 175.64 2i4x s ILE 47 N 1.19 3.07 0.12 2.53 -4.36 -0.73 -4.94 121.20 118.08 2i4x s ILE 47 Ca 0.02 -0.81 0.09 0.00 -0.26 0.00 0.00 60.65 59.70 2i4x s ILE 47 Cb -0.14 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 2i4x s ILE 47 CO -0.10 0.53 -0.20 -0.83 0.24 0.00 0.00 174.94 174.58 2i4x s GLY 48 N -0.92 1.66 0.00 6.27 0.00 -1.26 -1.57 107.32 111.50 2i4x s GLY 48 Ca 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2i4x s GLY 48 CO 0.02 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.37 2i4x n GLY 49 N 0.84 3.34 3.70 0.20 0.00 -0.59 -4.97 105.19 107.71 2i4x n GLY 49 Ca -0.16 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2i4x n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4x s ILE 50 N -2.12 3.18 0.00 -0.61 1.01 -1.26 -1.71 121.20 119.68 2i4x s ILE 50 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2i4x s ILE 50 Cb 0.00 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2i4x s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2i4x n GLY 51 N 3.78 1.93 0.00 6.18 0.00 -1.26 -4.97 105.19 110.85 2i4x n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2i4x n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4x n GLY 52 N -1.91 0.46 3.89 -0.02 0.00 -0.70 -5.07 105.19 101.85 2i4x n GLY 52 Ca 0.00 -2.28 -0.25 0.00 0.00 0.00 0.00 46.02 43.48 2i4x n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i4x s PHE 53 N 0.00 3.35 0.03 1.61 0.40 -1.26 -1.54 117.98 120.57 2i4x s PHE 53 Ca 0.00 0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 2i4x s PHE 53 Cb 0.00 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 2i4x s PHE 53 CO 0.00 0.51 -0.07 0.96 0.70 0.00 0.00 175.22 177.32 2i4x s ILE 54 N -1.80 0.51 0.03 0.64 -4.36 -0.61 -4.98 121.20 110.64 2i4x s ILE 54 Ca 0.33 -0.94 -0.19 0.00 -0.26 0.00 0.00 60.65 59.59 2i4x s ILE 54 Cb -0.10 -0.56 -0.06 0.00 1.25 0.00 0.00 42.46 42.99 2i4x s ILE 54 CO 0.27 -0.31 0.54 -0.75 0.24 0.00 0.00 174.94 174.93 2i4x s LYS 55 N -1.35 4.18 0.16 0.37 2.20 -1.26 -1.77 119.74 122.27 2i4x s LYS 55 Ca -0.08 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.19 2i4x s LYS 55 Cb -0.09 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2i4x s LYS 55 CO 0.00 0.55 0.03 0.14 -0.36 0.00 0.00 175.35 175.71 2i4x s VAL 56 N -0.76 0.44 -0.23 4.02 -7.23 0.36 -4.40 120.40 112.60 2i4x s VAL 56 Ca 0.28 -1.95 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2i4x s VAL 56 Cb -0.18 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2i4x s VAL 56 CO 0.17 -0.43 0.04 -0.13 -0.31 0.00 0.00 175.10 174.44 2i4x s ARG 57 N -3.98 3.66 -0.30 4.82 0.52 -0.16 -1.19 118.95 122.32 2i4x s ARG 57 Ca 0.25 -0.48 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 2i4x s ARG 57 Cb 0.07 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 2i4x s ARG 57 CO 0.04 -0.09 0.56 -1.14 0.02 0.00 0.00 175.30 174.69 2i4x s GLN 58 N 1.31 3.89 -0.13 3.54 0.74 0.39 -1.38 119.66 128.02 2i4x s GLN 58 Ca 0.05 0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.64 2i4x s GLN 58 Cb -0.15 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 2i4x s GLN 58 CO 0.03 -0.51 -0.09 0.71 -0.55 0.00 0.00 175.29 174.87 2i4x s TYR 59 N 2.46 2.90 0.28 1.67 1.51 -0.36 -2.09 117.35 123.71 2i4x s TYR 59 Ca 0.22 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 2i4x s TYR 59 Cb -0.15 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2i4x s TYR 59 CO 0.11 -0.06 0.19 -0.51 -1.11 0.00 0.00 175.55 174.17 2i4x s ASP 60 N 0.17 5.28 -1.21 2.29 1.01 -1.26 -0.77 116.67 122.18 2i4x s ASP 60 Ca -0.05 -0.39 -0.07 0.00 0.71 0.00 0.00 52.55 52.75 2i4x s ASP 60 Cb -0.14 -1.19 -0.02 0.00 1.01 0.00 0.00 42.92 42.58 2i4x s ASP 60 CO 0.04 -0.12 0.76 0.00 0.21 0.00 0.00 175.17 176.07 2i4x n GLN 61 N -1.18 -3.29 -4.00 8.23 1.13 -1.22 -4.95 117.38 112.10 2i4x n GLN 61 Ca -0.06 0.61 -0.35 0.00 -1.94 0.00 0.00 57.00 55.27 2i4x n GLN 61 Cb 0.59 -4.97 -0.10 0.00 0.11 0.00 0.00 30.24 25.86 2i4x n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2i4x s ILE 62 N -3.56 4.77 -0.09 5.09 -1.09 -0.47 -4.88 121.20 120.96 2i4x s ILE 62 Ca 0.23 -0.04 -0.28 0.00 -2.23 0.00 0.00 60.65 58.33 2i4x s ILE 62 Cb -0.06 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.65 2i4x s ILE 62 CO 0.81 0.46 0.92 -0.22 -1.23 0.00 0.00 174.94 175.68 2i4x s LEU 63 N 0.40 4.27 -0.03 2.97 2.96 -1.26 -1.82 118.68 126.16 2i4x s LEU 63 Ca 0.03 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 2i4x s LEU 63 Cb -0.12 -3.42 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2i4x s LEU 63 CO 0.00 -0.35 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.01 2i4x s ILE 64 N 1.66 0.47 -0.28 6.68 1.01 -0.04 -4.51 121.20 126.18 2i4x s ILE 64 Ca 0.45 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 2i4x s ILE 64 Cb -0.18 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 2i4x s ILE 64 CO 0.19 0.19 0.18 -1.61 0.00 0.00 0.00 174.94 173.90 2i4x s GLU 65 N 0.69 3.90 -0.01 2.79 2.02 -0.52 -1.04 118.70 126.53 2i4x s GLU 65 Ca -0.09 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2i4x s GLU 65 Cb -0.12 -3.64 0.01 0.00 0.10 0.00 0.00 34.13 30.48 2i4x s GLU 65 CO -0.00 -0.20 -0.01 0.42 0.02 0.00 0.00 175.26 175.49 2i4x s ILE 66 N 1.75 0.17 -1.08 -1.63 1.01 -0.36 -1.43 121.20 119.63 2i4x s ILE 66 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 2i4x s ILE 66 Cb -0.16 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.12 2i4x s ILE 66 CO 0.10 0.09 0.12 0.00 0.00 0.00 0.00 174.94 175.25 2i4x n GLY 68 N -0.89 2.51 3.88 0.00 0.00 -1.26 -5.04 105.19 104.38 2i4x n GLY 68 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2i4x n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i4x s HIS 69 N -2.22 3.46 -0.57 1.61 3.76 0.09 -5.06 115.29 116.36 2i4x s HIS 69 Ca 0.00 1.01 0.01 0.00 -0.15 0.00 0.00 55.06 55.94 2i4x s HIS 69 Cb 0.00 -2.41 0.14 0.00 1.11 0.00 0.00 32.58 31.43 2i4x s HIS 69 CO 0.00 -0.04 0.34 0.15 -0.85 0.00 0.00 174.74 174.34 2i4x s LYS 70 N -3.68 2.23 0.46 1.40 3.01 -1.26 -1.23 119.74 120.67 2i4x s LYS 70 Ca 0.51 -2.63 0.04 0.00 -1.01 0.00 0.00 55.97 52.88 2i4x s LYS 70 Cb -0.10 -3.48 0.02 0.00 -1.01 0.00 0.00 37.83 33.25 2i4x s LYS 70 CO 0.29 -1.14 0.65 0.00 0.51 0.00 0.00 175.35 175.66 2i4x s ALA 71 N -0.27 4.16 -0.04 5.17 0.00 -0.20 -4.91 121.76 125.66 2i4x s ALA 71 Ca 0.17 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.72 2i4x s ALA 71 Cb -0.23 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2i4x s ALA 71 CO -0.02 -0.44 -0.12 0.42 0.00 0.00 0.00 175.76 175.60 2i4x s ILE 72 N -2.51 1.07 0.13 0.00 1.01 -1.26 -0.86 121.20 118.78 2i4x s ILE 72 Ca 0.54 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2i4x s ILE 72 Cb -0.10 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.47 2i4x s ILE 72 CO 0.35 0.33 0.80 0.61 0.00 0.00 0.00 174.94 177.03 2i4x n GLY 73 N 3.46 0.74 3.76 6.18 0.00 -0.76 -4.92 105.19 113.66 2i4x n GLY 73 Ca -0.20 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 2i4x n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i4x s THR 74 N -2.17 4.48 -0.12 2.61 2.01 -1.26 -1.37 115.64 119.82 2i4x s THR 74 Ca 0.18 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2i4x s THR 74 Cb -0.02 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2i4x s THR 74 CO 0.04 0.46 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.61 2i4x s VAL 75 N -0.76 1.44 -0.28 3.82 1.01 0.05 -4.07 120.40 121.61 2i4x s VAL 75 Ca 0.37 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 2i4x s VAL 75 Cb -0.22 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2i4x s VAL 75 CO 0.25 0.43 0.20 -0.76 0.00 0.00 0.00 175.10 175.22 2i4x s LEU 76 N 1.17 4.03 -0.21 3.92 1.43 -0.26 -1.23 118.68 127.54 2i4x s LEU 76 Ca -0.03 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2i4x s LEU 76 Cb -0.14 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 2i4x s LEU 76 CO -0.04 -0.05 0.03 -0.69 0.23 0.00 0.00 176.35 175.83 2i4x s VAL 77 N 1.71 4.21 0.02 -1.59 1.01 -0.48 -0.71 120.40 124.57 2i4x s VAL 77 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2i4x s VAL 77 Cb -0.16 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2i4x s VAL 77 CO 0.10 0.42 0.24 0.61 0.00 0.00 0.00 175.10 176.47 2i4x n GLY 78 N 4.21 0.88 2.08 4.51 0.00 -0.45 -0.99 105.19 115.43 2i4x n GLY 78 Ca -0.17 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2i4x n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i4x n PRO 79 N -0.17 1.76 -2.65 1.61 -0.04 -1.26 -2.91 135.00 131.33 2i4x n PRO 79 Ca 0.00 -0.89 -0.40 0.00 -0.04 0.00 0.00 63.50 62.17 2i4x n PRO 79 Cb 0.12 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 2i4x n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2i4x s THR 80 N 1.33 3.99 0.20 0.52 -1.32 -1.26 -4.95 115.64 114.16 2i4x s THR 80 Ca 0.57 1.88 0.29 0.00 -1.21 0.00 0.00 61.69 63.23 2i4x s THR 80 Cb 0.27 -4.20 0.31 0.00 -1.51 0.00 0.00 72.50 67.37 2i4x s THR 80 CO -0.00 0.40 1.96 1.55 -2.21 0.00 0.00 174.62 176.31 2i4x h PRO 81 N 4.51 0.00 -3.66 7.08 0.13 -1.99 -3.42 132.00 134.66 2i4x h PRO 81 Ca -0.45 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 2i4x h PRO 81 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2i4x h PRO 81 CO 0.69 0.11 -0.68 0.08 -0.23 0.00 0.00 178.00 177.97 2i4x s VAL 82 N -3.78 0.00 0.08 1.56 1.01 -1.26 -5.10 120.40 112.91 2i4x s VAL 82 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2i4x s VAL 82 Cb 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.37 2i4x s VAL 82 CO 0.58 -0.01 1.03 0.20 0.00 0.00 0.00 175.10 176.90 2i4x s ASN 83 N -0.00 7.36 -0.01 3.32 0.01 -1.26 -4.85 114.94 119.50 2i4x s ASN 83 Ca -0.00 1.84 0.02 0.00 -0.71 0.00 0.00 52.86 54.01 2i4x s ASN 83 Cb -0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 2i4x s ASN 83 CO 0.00 -0.21 -0.06 0.68 -1.51 0.00 0.00 177.10 176.00 2i4x s VAL 84 N 0.41 0.51 -0.31 1.60 -7.23 -0.65 -0.54 120.40 114.19 2i4x s VAL 84 Ca 0.51 -0.27 -0.15 0.00 -1.81 0.00 0.00 61.98 60.26 2i4x s VAL 84 Cb -0.25 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2i4x s VAL 84 CO 0.30 0.15 0.36 -0.63 -0.31 0.00 0.00 175.10 174.97 2i4x s ILE 85 N -0.09 5.17 0.82 -0.62 -1.09 0.95 -1.46 121.20 124.88 2i4x s ILE 85 Ca 0.02 0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.60 2i4x s ILE 85 Cb -0.03 -3.77 0.14 0.00 -1.58 0.00 0.00 42.46 37.23 2i4x s ILE 85 CO -0.00 0.01 1.13 -0.83 -1.23 0.00 0.00 174.94 174.02 2i4x s GLY 86 N 1.71 1.76 0.45 6.18 0.00 -1.23 -0.99 107.32 115.19 2i4x s GLY 86 Ca 0.13 -1.36 0.11 0.00 0.00 0.00 0.00 44.72 43.60 2i4x s GLY 86 CO 0.11 -0.74 2.08 3.21 0.00 0.00 0.00 173.10 177.76 2i4x h ARG 87 N -1.00 0.33 -1.01 2.90 3.08 -0.83 -1.85 114.38 116.01 2i4x h ARG 87 Ca -0.41 -0.02 0.23 0.00 0.07 0.00 0.00 59.98 59.85 2i4x h ARG 87 Cb 1.26 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.12 2i4x h ARG 87 CO 0.43 0.22 0.61 -0.97 -1.07 0.00 0.00 179.97 179.19 2i4x h ASN 88 N 0.34 0.67 0.08 7.04 -0.73 -1.66 -2.17 115.58 119.16 2i4x h ASN 88 Ca 0.12 0.12 -0.37 0.00 1.87 0.00 0.00 56.30 58.04 2i4x h ASN 88 Cb 0.06 0.01 -0.06 0.00 0.27 0.00 0.00 38.32 38.60 2i4x h ASN 88 CO -0.03 0.15 -2.29 -0.11 -0.37 0.00 0.00 177.43 174.78 2i4x n LEU 89 N -4.81 1.51 -0.11 0.34 7.94 -0.85 -4.44 117.00 116.57 2i4x n LEU 89 Ca 0.26 0.03 0.01 0.00 -1.11 0.00 0.00 56.01 55.19 2i4x n LEU 89 Cb 0.72 -0.25 0.29 0.00 0.53 0.00 0.00 43.42 44.71 2i4x n LEU 89 CO 0.19 0.69 1.13 0.24 -1.11 0.00 0.00 177.39 178.53 2i4x h MET 90 N 0.01 0.78 -0.97 1.96 2.86 -1.09 -2.35 114.93 116.13 2i4x h MET 90 Ca -0.51 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.05 2i4x h MET 90 Cb 2.07 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 33.52 2i4x h MET 90 CO 0.00 0.58 0.63 1.79 1.06 0.00 0.00 176.91 180.97 2i4x h THR 91 N 0.79 1.25 -0.00 2.22 1.35 -1.62 -2.29 112.91 114.61 2i4x h THR 91 Ca 0.20 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 2i4x h THR 91 Cb 0.04 -0.17 -0.00 0.00 -1.73 0.00 0.00 68.15 66.29 2i4x h THR 91 CO -0.03 0.25 -0.05 1.56 -0.25 0.00 0.00 175.52 177.00 2i4x h GLN 92 N 1.33 0.01 -0.62 4.72 1.08 -1.64 -1.51 115.11 118.48 2i4x h GLN 92 Ca 0.35 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2i4x h GLN 92 Cb -0.13 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2i4x h GLN 92 CO -0.07 0.05 0.00 0.44 -0.95 0.00 0.00 178.83 178.30 2i4x n ILE 93 N -4.48 0.83 -1.80 2.54 -5.35 -1.00 -4.95 119.36 105.15 2i4x n ILE 93 Ca -0.03 -0.85 -0.07 0.00 -0.27 0.00 0.00 62.75 61.53 2i4x n ILE 93 Cb 0.13 0.48 -0.01 0.00 -1.74 0.00 0.00 39.64 38.50 2i4x n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i4x n GLY 94 N 1.53 0.38 3.75 3.28 0.00 -0.57 -5.02 105.19 108.54 2i4x n GLY 94 Ca 0.21 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2i4x n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2i4x s MET 95 N -3.72 4.58 0.14 1.61 0.00 -0.89 -5.04 119.30 115.98 2i4x s MET 95 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 55.69 56.86 2i4x s MET 95 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 34.83 31.47 2i4x s MET 95 CO 0.00 0.37 0.10 0.95 0.00 0.00 0.00 175.02 176.45 2i4x s THR 96 N -0.45 0.09 -0.03 10.11 -4.23 -1.26 -4.60 115.64 115.28 2i4x s THR 96 Ca 0.39 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 2i4x s THR 96 Cb -0.22 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2i4x s THR 96 CO 0.26 -0.42 0.34 -0.76 -0.54 0.00 0.00 174.62 173.50 2i4x s LEU 97 N -3.04 4.45 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.96 2i4x s LEU 97 Ca 0.23 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2i4x s LEU 97 Cb 0.07 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 2i4x s LEU 97 CO 0.02 0.34 0.01 0.20 0.23 0.00 0.00 176.35 177.15 2i4x s ASN 98 N -1.08 0.01 0.00 2.29 0.01 -1.26 -5.29 114.94 109.61 2i4x s ASN 98 Ca 0.22 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 2i4x s ASN 98 Cb -0.15 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.55 2i4x s ASN 98 CO 0.11 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.89