#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4v s GLN 2 N 0.00 3.47 -0.27 0.54 0.74 -1.26 -5.10 119.66 117.78 2i4v s GLN 2 Ca 0.00 -0.41 -0.03 0.00 0.05 0.00 0.00 55.36 54.97 2i4v s GLN 2 Cb 0.00 -2.96 0.03 0.00 1.10 0.00 0.00 33.01 31.18 2i4v s GLN 2 CO 0.00 0.46 -0.02 0.42 -0.55 0.00 0.00 175.29 175.60 2i4v s ILE 3 N -0.19 3.12 0.75 -2.34 1.01 -1.26 -5.11 121.20 117.19 2i4v s ILE 3 Ca 0.05 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 2i4v s ILE 3 Cb -0.12 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.75 2i4v s ILE 3 CO 0.02 0.09 1.10 0.28 0.00 0.00 0.00 174.94 176.43 2i4v s THR 4 N 1.34 3.19 -0.93 2.92 -1.32 -1.26 -4.99 115.64 114.60 2i4v s THR 4 Ca -0.01 0.43 0.14 0.00 -1.21 0.00 0.00 61.69 61.04 2i4v s THR 4 Cb -0.18 -2.89 0.42 0.00 -1.51 0.00 0.00 72.50 68.34 2i4v s THR 4 CO -0.02 -0.46 1.35 0.18 -2.21 0.00 0.00 174.62 173.45 2i4v n LEU 5 N -3.29 3.36 -0.08 9.08 4.77 -1.26 -4.55 117.00 125.03 2i4v n LEU 5 Ca 0.10 -2.21 0.03 0.00 -0.03 0.00 0.00 56.01 53.90 2i4v n LEU 5 Cb 0.53 -0.34 0.36 0.00 -2.33 0.00 0.00 43.42 41.64 2i4v n LEU 5 CO 0.52 0.76 1.19 -0.50 -1.33 0.00 0.00 177.39 178.02 2i4v h TRP 6 N 2.41 0.67 -2.15 -1.77 4.06 -2.06 -3.43 115.95 113.68 2i4v h TRP 6 Ca 0.00 0.02 -0.57 0.00 2.06 0.00 0.00 58.89 60.40 2i4v h TRP 6 Cb 0.94 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 28.74 2i4v h TRP 6 CO 0.35 0.41 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.38 2i4v s GLN 7 N -5.62 1.81 0.12 0.49 1.11 -1.26 -5.10 119.66 111.21 2i4v s GLN 7 Ca -0.09 -2.00 -0.31 0.00 0.01 0.00 0.00 55.36 52.97 2i4v s GLN 7 Cb 0.18 -1.37 -0.10 0.00 -1.01 0.00 0.00 33.01 30.71 2i4v s GLN 7 CO 0.75 -0.06 1.70 1.03 0.01 0.00 0.00 175.29 178.71 2i4v s ARG 8 N -3.76 4.17 -1.12 2.91 0.52 -1.26 -4.88 118.95 115.54 2i4v s ARG 8 Ca 0.35 2.45 -0.22 0.00 -0.52 0.00 0.00 55.73 57.79 2i4v s ARG 8 Cb 0.08 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.10 2i4v s ARG 8 CO 0.16 -0.74 1.80 -1.25 0.02 0.00 0.00 175.30 175.29 2i4v s PRO 9 N 2.18 3.08 0.14 3.54 0.04 -1.26 -4.96 135.00 137.76 2i4v s PRO 9 Ca 0.75 -1.16 -0.11 0.00 0.04 0.00 0.00 61.00 60.52 2i4v s PRO 9 Cb -0.44 -5.30 -0.06 0.00 0.04 0.00 0.00 34.50 28.74 2i4v s PRO 9 CO 0.33 -3.08 0.48 -0.51 0.04 0.00 0.00 177.00 174.26 2i4v s LEU 10 N 7.99 4.30 0.09 -3.56 1.43 -1.26 -0.92 118.68 126.76 2i4v s LEU 10 Ca 0.61 0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 2i4v s LEU 10 Cb -0.01 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 2i4v s LEU 10 CO 0.04 0.09 0.13 0.68 0.23 0.00 0.00 176.35 177.52 2i4v s VAL 11 N -1.52 0.15 -0.17 -1.59 -7.23 -0.18 -4.95 120.40 104.90 2i4v s VAL 11 Ca 0.38 -1.45 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2i4v s VAL 11 Cb -0.14 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2i4v s VAL 11 CO 0.19 -0.68 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.39 2i4v s THR 12 N -3.91 3.86 0.27 5.32 2.01 -1.26 -0.48 115.64 121.44 2i4v s THR 12 Ca 0.09 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.83 2i4v s THR 12 Cb 0.06 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2i4v s THR 12 CO -0.08 0.47 0.00 0.27 -0.69 0.00 0.00 174.62 174.59 2i4v s ILE 13 N 0.66 3.46 -0.23 1.82 -4.36 -0.08 -4.53 121.20 117.93 2i4v s ILE 13 Ca -0.02 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 2i4v s ILE 13 Cb -0.14 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.72 2i4v s ILE 13 CO 0.02 -0.37 -0.09 -0.75 0.24 0.00 0.00 174.94 173.99 2i4v s LYS 14 N -3.68 2.95 -0.14 0.37 2.36 -0.61 -1.70 119.74 119.29 2i4v s LYS 14 Ca 0.32 -0.89 -0.05 0.00 -2.55 0.00 0.00 55.97 52.79 2i4v s LYS 14 Cb -0.06 -2.88 0.07 0.00 -1.05 0.00 0.00 37.83 33.90 2i4v s LYS 14 CO 0.20 -0.32 0.30 -1.50 1.55 0.00 0.00 175.35 175.58 2i4v s ILE 15 N 1.34 -0.40 -1.38 5.43 2.07 -0.01 -1.73 121.20 126.52 2i4v s ILE 15 Ca 0.02 0.23 -0.05 0.00 -1.41 0.00 0.00 60.65 59.45 2i4v s ILE 15 Cb -0.15 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 41.95 2i4v s ILE 15 CO -0.06 0.10 0.63 0.61 -1.91 0.00 0.00 174.94 174.30 2i4v n GLY 16 N 5.18 -0.40 3.09 1.50 0.00 -1.26 -1.65 105.19 111.65 2i4v n GLY 16 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2i4v n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4v n GLY 17 N -1.52 2.88 3.90 -0.02 0.00 -1.26 -5.00 105.19 104.18 2i4v n GLY 17 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2i4v n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i4v s GLN 18 N -0.06 3.55 -0.19 1.61 -0.21 -0.66 -5.10 119.66 118.61 2i4v s GLN 18 Ca 0.00 -0.21 -0.05 0.00 0.02 0.00 0.00 55.36 55.11 2i4v s GLN 18 Cb 0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 2i4v s GLN 18 CO 0.00 0.55 0.01 -0.51 -2.12 0.00 0.00 175.29 173.22 2i4v s LEU 19 N -2.46 3.36 -0.01 2.90 1.43 -1.26 -0.83 118.68 121.80 2i4v s LEU 19 Ca 0.37 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2i4v s LEU 19 Cb -0.13 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2i4v s LEU 19 CO 0.24 0.10 -0.09 -0.54 0.23 0.00 0.00 176.35 176.29 2i4v s LYS 20 N 0.81 0.80 -0.00 1.70 1.02 -0.69 -4.97 119.74 118.40 2i4v s LYS 20 Ca 0.01 -0.31 -0.24 0.00 0.02 0.00 0.00 55.97 55.45 2i4v s LYS 20 Cb -0.14 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.36 2i4v s LYS 20 CO 0.02 0.16 0.72 -2.00 -0.92 0.00 0.00 175.35 173.34 2i4v s GLU 21 N -0.06 4.45 0.06 1.68 2.12 -1.26 -0.90 118.70 124.78 2i4v s GLU 21 Ca 0.01 0.96 -0.02 0.00 0.36 0.00 0.00 54.97 56.28 2i4v s GLU 21 Cb -0.05 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2i4v s GLU 21 CO -0.00 0.20 0.01 0.00 -0.54 0.00 0.00 175.26 174.93 2i4v s ALA 22 N 0.28 0.40 -0.23 6.30 0.00 0.37 -4.59 121.76 124.29 2i4v s ALA 22 Ca 0.38 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 2i4v s ALA 22 Cb -0.19 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2i4v s ALA 22 CO 0.21 -0.40 0.29 -1.17 0.00 0.00 0.00 175.76 174.69 2i4v s LEU 23 N -2.91 4.12 -0.45 0.00 2.96 0.03 -1.01 118.68 121.43 2i4v s LEU 23 Ca 0.07 0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 54.01 2i4v s LEU 23 Cb 0.07 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2i4v s LEU 23 CO -0.10 -0.02 1.76 -0.76 -1.32 0.00 0.00 176.35 175.90 2i4v s LEU 24 N 1.27 3.44 -0.33 -0.68 1.43 -0.09 -0.19 118.68 123.53 2i4v s LEU 24 Ca 0.13 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2i4v s LEU 24 Cb -0.14 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.00 2i4v s LEU 24 CO 0.07 -1.90 0.04 -0.62 0.23 0.00 0.00 176.35 174.16 2i4v s ASP 25 N 6.44 4.81 0.45 2.29 -1.08 -0.57 -4.78 116.67 124.23 2i4v s ASP 25 Ca 0.72 -1.86 0.31 0.00 -0.52 0.00 0.00 52.55 51.20 2i4v s ASP 25 Cb -0.17 -1.66 1.32 0.00 -1.46 0.00 0.00 42.92 40.94 2i4v s ASP 25 CO 0.29 -0.35 1.91 0.71 0.52 0.00 0.00 175.17 178.25 2i4v h THR 26 N 6.58 0.00 -0.00 1.71 1.35 -1.92 -2.12 112.91 118.51 2i4v h THR 26 Ca -0.11 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2i4v h THR 26 Cb 1.03 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2i4v h THR 26 CO 0.54 0.00 -0.19 0.61 -0.25 0.00 0.00 175.52 176.23 2i4v n GLY 27 N -0.12 -1.22 3.56 5.82 0.00 -1.26 -4.77 105.19 107.20 2i4v n GLY 27 Ca 0.01 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2i4v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4v s ALA 28 N -2.81 3.52 0.13 4.61 0.00 -0.80 -4.97 121.76 121.44 2i4v s ALA 28 Ca 0.18 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 2i4v s ALA 28 Cb 0.19 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2i4v s ALA 28 CO 0.56 -0.83 1.76 -0.44 0.00 0.00 0.00 175.76 176.81 2i4v h ASP 29 N 8.40 0.38 -2.37 0.00 3.45 -1.86 0.11 116.42 124.54 2i4v h ASP 29 Ca -0.32 -0.05 -0.58 0.00 0.43 0.00 0.00 57.03 56.51 2i4v h ASP 29 Cb 1.16 -0.10 -0.14 0.00 -0.56 0.00 0.00 39.33 39.70 2i4v h ASP 29 CO 0.63 0.32 -0.75 -1.81 -1.57 0.00 0.00 179.24 176.06 2i4v s ASP 30 N -5.55 3.42 0.09 6.45 1.01 -1.26 -1.96 116.67 118.87 2i4v s ASP 30 Ca -0.13 -1.05 -0.30 0.00 0.71 0.00 0.00 52.55 51.78 2i4v s ASP 30 Cb 0.09 -0.27 -0.06 0.00 1.01 0.00 0.00 42.92 43.69 2i4v s ASP 30 CO 0.72 -0.03 1.15 -0.89 0.21 0.00 0.00 175.17 176.33 2i4v s THR 31 N -2.61 4.05 -0.11 -1.27 2.01 -1.26 -3.76 115.64 112.69 2i4v s THR 31 Ca 0.29 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.85 2i4v s THR 31 Cb -0.03 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2i4v s THR 31 CO 0.14 0.16 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.43 2i4v s VAL 32 N 0.67 1.21 0.18 3.82 1.01 -0.19 -1.09 120.40 126.00 2i4v s VAL 32 Ca 0.55 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.20 2i4v s VAL 32 Cb -0.29 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2i4v s VAL 32 CO 0.31 0.39 -0.22 -0.76 0.00 0.00 0.00 175.10 174.82 2i4v s LEU 33 N 1.35 2.43 0.93 3.92 1.43 0.06 -1.12 118.68 127.69 2i4v s LEU 33 Ca -0.01 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 2i4v s LEU 33 Cb -0.14 -1.02 0.15 0.00 0.03 0.00 0.00 46.19 45.21 2i4v s LEU 33 CO -0.05 0.06 1.11 -1.83 0.23 0.00 0.00 176.35 175.87 2i4v s GLU 34 N -2.71 0.93 0.08 1.70 -1.05 -1.25 -1.36 118.70 115.04 2i4v s GLU 34 Ca 0.18 1.32 -0.36 0.00 -0.15 0.00 0.00 54.97 55.96 2i4v s GLU 34 Cb -0.07 -1.73 -0.18 0.00 -0.44 0.00 0.00 34.13 31.71 2i4v s GLU 34 CO 0.08 -2.61 1.05 0.39 0.95 0.00 0.00 175.26 175.13 2i4v n GLU 35 N -4.20 0.46 -3.52 -4.83 -0.58 -1.14 -4.52 120.64 102.31 2i4v n GLU 35 Ca 0.10 0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 56.92 2i4v n GLU 35 Cb 0.53 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 2i4v n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i4v s MET 36 N -0.15 0.78 -0.08 3.49 0.23 -1.26 -5.03 119.30 117.28 2i4v s MET 36 Ca 0.82 -0.30 -0.18 0.00 -1.03 0.00 0.00 55.69 55.00 2i4v s MET 36 Cb -1.07 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 32.54 2i4v s MET 36 CO 0.54 -0.34 0.50 0.45 -2.03 0.00 0.00 175.02 174.14 2i4v s SER 37 N -2.47 6.77 0.04 -1.18 0.15 -1.26 -5.04 113.70 110.70 2i4v s SER 37 Ca 0.06 0.92 0.04 0.00 0.70 0.00 0.00 55.95 57.66 2i4v s SER 37 Cb -0.01 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 2i4v s SER 37 CO -0.08 0.06 -0.11 -0.76 1.20 0.00 0.00 173.24 173.54 2i4v s LEU 38 N 0.26 2.18 0.47 3.45 1.43 -1.26 -4.98 118.68 120.23 2i4v s LEU 38 Ca 0.27 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 2i4v s LEU 38 Cb -0.16 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.54 2i4v s LEU 38 CO 0.12 -0.03 0.96 -2.16 0.23 0.00 0.00 176.35 175.47 2i4v s PRO 39 N -1.15 4.07 0.00 1.29 0.04 -1.26 -4.95 135.00 133.03 2i4v s PRO 39 Ca -0.02 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2i4v s PRO 39 Cb -0.08 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2i4v s PRO 39 CO 0.01 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2i4v n GLY 40 N -1.13 0.73 3.91 0.56 0.00 -1.26 -5.01 105.19 102.99 2i4v n GLY 40 Ca 0.07 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 2i4v n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i4v s ARG 41 N -1.27 3.34 0.13 1.61 1.70 -1.26 -5.10 118.95 118.09 2i4v s ARG 41 Ca 0.00 0.15 -0.06 0.00 -0.47 0.00 0.00 55.73 55.35 2i4v s ARG 41 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 34.95 32.03 2i4v s ARG 41 CO 0.00 -0.38 0.16 1.67 -1.08 0.00 0.00 175.30 175.67 2i4v s TRP 42 N -2.84 0.51 -0.02 5.89 1.48 -1.26 -4.61 118.94 118.09 2i4v s TRP 42 Ca 0.50 -0.91 0.06 0.00 -1.06 0.00 0.00 56.10 54.69 2i4v s TRP 42 Cb -0.10 -0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 31.97 2i4v s TRP 42 CO 0.45 -0.59 -0.21 0.15 -4.06 0.00 0.00 176.95 172.70 2i4v s LYS 43 N -3.97 1.81 0.48 3.25 1.02 -0.92 -4.90 119.74 116.52 2i4v s LYS 43 Ca 0.16 -0.75 -0.21 0.00 0.02 0.00 0.00 55.97 55.18 2i4v s LYS 43 Cb 0.05 -1.70 -0.07 0.00 -0.52 0.00 0.00 37.83 35.60 2i4v s LYS 43 CO -0.03 0.42 1.12 -1.25 -0.92 0.00 0.00 175.35 174.69 2i4v s PRO 44 N -0.39 3.69 -0.00 -1.68 0.04 -1.26 -0.37 135.00 135.03 2i4v s PRO 44 Ca 0.05 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.50 2i4v s PRO 44 Cb -0.09 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2i4v s PRO 44 CO 0.00 -0.57 0.47 0.21 0.04 0.00 0.00 177.00 177.15 2i4v s LYS 45 N -2.95 0.89 -0.17 4.56 2.20 -0.27 -4.87 119.74 119.13 2i4v s LYS 45 Ca 0.66 -0.10 -0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2i4v s LYS 45 Cb -0.24 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2i4v s LYS 45 CO 0.29 -0.28 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.20 2i4v s MET 46 N -1.69 3.18 -0.04 4.03 -1.94 -1.26 -0.36 119.30 121.21 2i4v s MET 46 Ca -0.10 -0.75 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 2i4v s MET 46 Cb -0.02 -2.67 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2i4v s MET 46 CO 0.04 -0.08 -0.22 0.96 -0.01 0.00 0.00 175.02 175.71 2i4v s ILE 47 N 1.05 2.37 0.10 2.53 -4.36 -0.64 -4.95 121.20 117.31 2i4v s ILE 47 Ca -0.01 -0.98 0.09 0.00 -0.26 0.00 0.00 60.65 59.50 2i4v s ILE 47 Cb -0.15 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 2i4v s ILE 47 CO -0.04 0.58 -0.20 -0.83 0.24 0.00 0.00 174.94 174.68 2i4v s GLY 48 N -0.50 1.63 0.00 6.27 0.00 -1.26 -1.27 107.32 112.18 2i4v s GLY 48 Ca 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2i4v s GLY 48 CO 0.01 -1.30 0.00 0.61 0.00 0.00 0.00 173.10 172.42 2i4v n GLY 49 N 1.02 3.53 3.70 0.20 0.00 -0.43 -4.98 105.19 108.24 2i4v n GLY 49 Ca -0.16 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2i4v n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4v s ILE 50 N -1.63 3.09 0.00 -0.61 1.01 -1.26 -1.88 121.20 119.92 2i4v s ILE 50 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2i4v s ILE 50 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2i4v s ILE 50 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2i4v n GLY 51 N 3.74 0.52 0.00 6.18 0.00 -1.26 -4.96 105.19 109.41 2i4v n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2i4v n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4v n GLY 52 N -2.00 0.28 3.77 -0.02 0.00 -0.79 -5.07 105.19 101.36 2i4v n GLY 52 Ca 0.00 -2.24 -0.28 0.00 0.00 0.00 0.00 46.02 43.50 2i4v n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i4v s PHE 53 N 0.00 3.10 0.07 1.61 0.40 -1.26 -1.31 117.98 120.59 2i4v s PHE 53 Ca 0.00 -0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.36 2i4v s PHE 53 Cb 0.00 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2i4v s PHE 53 CO 0.00 0.52 -0.13 0.96 0.70 0.00 0.00 175.22 177.27 2i4v s ILE 54 N -1.63 1.05 -0.05 0.64 -4.36 -0.40 -4.96 121.20 111.49 2i4v s ILE 54 Ca 0.30 -1.35 -0.18 0.00 -0.26 0.00 0.00 60.65 59.16 2i4v s ILE 54 Cb -0.11 -1.09 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 2i4v s ILE 54 CO 0.22 -0.30 0.49 -0.75 0.24 0.00 0.00 174.94 174.84 2i4v s LYS 55 N -1.91 4.21 0.16 0.37 2.20 -1.26 -1.61 119.74 121.89 2i4v s LYS 55 Ca -0.01 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 2i4v s LYS 55 Cb -0.09 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2i4v s LYS 55 CO 0.02 0.39 0.04 0.14 -0.36 0.00 0.00 175.35 175.58 2i4v s VAL 56 N -0.16 0.38 -0.22 4.02 -7.23 0.52 -4.39 120.40 113.33 2i4v s VAL 56 Ca 0.26 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2i4v s VAL 56 Cb -0.17 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2i4v s VAL 56 CO 0.13 -0.42 0.05 -0.13 -0.31 0.00 0.00 175.10 174.42 2i4v s ARG 57 N -3.99 3.76 -0.29 4.82 0.52 0.04 -1.12 118.95 122.69 2i4v s ARG 57 Ca 0.25 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 54.85 2i4v s ARG 57 Cb 0.07 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2i4v s ARG 57 CO 0.04 0.02 0.49 -1.14 0.02 0.00 0.00 175.30 174.73 2i4v s GLN 58 N 1.05 3.91 -0.16 3.54 0.74 0.50 -1.16 119.66 128.09 2i4v s GLN 58 Ca 0.04 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.56 2i4v s GLN 58 Cb -0.14 -3.71 -0.01 0.00 1.10 0.00 0.00 33.01 30.25 2i4v s GLN 58 CO 0.03 -0.44 -0.11 0.71 -0.55 0.00 0.00 175.29 174.93 2i4v s TYR 59 N 2.31 2.85 0.33 1.67 1.51 -0.29 -2.17 117.35 123.57 2i4v s TYR 59 Ca 0.19 -0.83 0.07 0.00 -1.01 0.00 0.00 57.07 55.49 2i4v s TYR 59 Cb -0.16 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2i4v s TYR 59 CO 0.11 -0.37 0.40 -0.51 -1.11 0.00 0.00 175.55 174.07 2i4v s ASP 60 N 0.78 5.77 -1.31 2.29 1.01 -1.26 -0.43 116.67 123.53 2i4v s ASP 60 Ca -0.04 -0.27 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 2i4v s ASP 60 Cb -0.15 -1.19 -0.00 0.00 1.01 0.00 0.00 42.92 42.58 2i4v s ASP 60 CO 0.01 -0.38 0.63 0.00 0.21 0.00 0.00 175.17 175.64 2i4v n GLN 61 N -1.53 -3.82 -3.91 8.23 1.13 -1.18 -4.93 117.38 111.36 2i4v n GLN 61 Ca -0.01 0.54 -0.35 0.00 -1.94 0.00 0.00 57.00 55.23 2i4v n GLN 61 Cb 0.59 -4.85 -0.08 0.00 0.11 0.00 0.00 30.24 26.01 2i4v n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2i4v s ILE 62 N -3.73 5.15 -0.07 5.09 -1.09 -0.38 -4.84 121.20 121.33 2i4v s ILE 62 Ca 0.08 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.30 2i4v s ILE 62 Cb -0.02 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2i4v s ILE 62 CO 0.84 0.51 0.96 -0.22 -1.23 0.00 0.00 174.94 175.80 2i4v s LEU 63 N -0.14 4.29 0.05 2.97 2.96 -1.26 -1.80 118.68 125.75 2i4v s LEU 63 Ca 0.09 1.52 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 2i4v s LEU 63 Cb -0.12 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2i4v s LEU 63 CO 0.01 -0.35 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.94 2i4v s ILE 64 N 1.57 0.90 -0.13 6.68 1.01 0.65 -4.47 121.20 127.43 2i4v s ILE 64 Ca 0.48 -1.14 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 2i4v s ILE 64 Cb -0.19 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.42 2i4v s ILE 64 CO 0.21 -0.22 -0.10 -1.61 0.00 0.00 0.00 174.94 173.22 2i4v s GLU 65 N -1.52 1.82 -0.07 2.79 2.02 -0.70 -0.73 118.70 122.30 2i4v s GLU 65 Ca -0.04 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.59 2i4v s GLU 65 Cb -0.09 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.38 2i4v s GLU 65 CO 0.01 -0.25 -0.08 0.42 0.02 0.00 0.00 175.26 175.39 2i4v s ILE 66 N 1.61 0.88 -1.56 -1.63 1.01 -0.62 -1.57 121.20 119.33 2i4v s ILE 66 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2i4v s ILE 66 Cb -0.13 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2i4v s ILE 66 CO -0.09 0.32 0.00 0.00 0.00 0.00 0.00 174.94 175.17 2i4v n GLY 68 N -0.60 0.37 3.82 0.00 0.00 -1.26 -5.06 105.19 102.46 2i4v n GLY 68 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2i4v n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i4v s HIS 69 N -2.13 3.74 -0.35 1.61 4.02 -0.41 -5.06 115.29 116.70 2i4v s HIS 69 Ca 0.00 1.07 -0.08 0.00 1.02 0.00 0.00 55.06 57.07 2i4v s HIS 69 Cb 0.00 -2.37 0.04 0.00 -1.02 0.00 0.00 32.58 29.23 2i4v s HIS 69 CO 0.00 0.59 0.14 0.15 1.02 0.00 0.00 174.74 176.64 2i4v s LYS 70 N -0.96 2.67 0.22 1.40 3.01 -1.26 -1.58 119.74 123.23 2i4v s LYS 70 Ca 0.25 -1.17 0.11 0.00 -1.01 0.00 0.00 55.97 54.16 2i4v s LYS 70 Cb -0.17 -3.55 -0.05 0.00 -1.01 0.00 0.00 37.83 33.05 2i4v s LYS 70 CO 0.15 -0.69 -0.22 0.00 0.51 0.00 0.00 175.35 175.10 2i4v s ALA 71 N 1.44 2.55 -0.04 5.17 0.00 0.09 -4.98 121.76 125.99 2i4v s ALA 71 Ca -0.01 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.28 2i4v s ALA 71 Cb -0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2i4v s ALA 71 CO 0.04 0.35 -0.16 0.42 0.00 0.00 0.00 175.76 176.41 2i4v s ILE 72 N -2.05 2.95 0.09 0.00 1.09 -1.26 -0.25 121.20 121.77 2i4v s ILE 72 Ca 0.24 -0.78 -0.20 0.00 -1.10 0.00 0.00 60.65 58.81 2i4v s ILE 72 Cb -0.06 -2.15 0.07 0.00 -1.06 0.00 0.00 42.46 39.25 2i4v s ILE 72 CO 0.11 0.58 0.92 0.61 -0.10 0.00 0.00 174.94 177.07 2i4v n GLY 73 N 2.29 0.56 3.78 6.18 0.00 -0.75 -4.91 105.19 112.35 2i4v n GLY 73 Ca -0.17 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 2i4v n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i4v s THR 74 N -2.11 4.42 -0.10 2.61 2.01 -1.26 -1.25 115.64 119.96 2i4v s THR 74 Ca 0.21 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.84 2i4v s THR 74 Cb -0.02 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2i4v s THR 74 CO 0.03 0.51 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 2i4v s VAL 75 N -1.16 1.03 -0.25 3.82 1.01 0.43 -4.11 120.40 121.17 2i4v s VAL 75 Ca 0.35 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 2i4v s VAL 75 Cb -0.22 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2i4v s VAL 75 CO 0.25 0.36 0.21 -0.76 0.00 0.00 0.00 175.10 175.16 2i4v s LEU 76 N 1.38 4.09 -0.18 3.92 1.43 -0.25 -1.13 118.68 127.94 2i4v s LEU 76 Ca -0.01 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2i4v s LEU 76 Cb -0.14 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2i4v s LEU 76 CO -0.05 -0.00 -0.02 -0.69 0.23 0.00 0.00 176.35 175.82 2i4v s VAL 77 N 1.36 3.88 0.01 -1.59 1.01 -0.31 -0.76 120.40 124.00 2i4v s VAL 77 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2i4v s VAL 77 Cb -0.14 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.53 2i4v s VAL 77 CO 0.07 0.46 0.23 0.61 0.00 0.00 0.00 175.10 176.47 2i4v n GLY 78 N 3.87 0.72 2.23 4.51 0.00 -0.46 -0.78 105.19 115.28 2i4v n GLY 78 Ca -0.17 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 2i4v n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i4v n PRO 79 N -0.16 2.44 -2.92 1.61 -0.04 -1.26 -2.90 135.00 131.76 2i4v n PRO 79 Ca 0.01 -1.39 -0.40 0.00 -0.04 0.00 0.00 63.50 61.67 2i4v n PRO 79 Cb 0.11 -2.30 -0.06 0.00 -0.04 0.00 0.00 33.50 31.22 2i4v n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2i4v s THR 80 N 1.90 4.42 0.21 0.52 -1.32 -1.26 -4.95 115.64 115.16 2i4v s THR 80 Ca 0.59 1.78 0.34 0.00 -1.21 0.00 0.00 61.69 63.19 2i4v s THR 80 Cb 0.22 -4.18 0.38 0.00 -1.51 0.00 0.00 72.50 67.41 2i4v s THR 80 CO -0.02 0.46 2.04 1.55 -2.21 0.00 0.00 174.62 176.44 2i4v h PRO 81 N 4.73 0.00 -3.34 7.08 0.13 -1.99 -3.43 132.00 135.19 2i4v h PRO 81 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2i4v h PRO 81 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2i4v h PRO 81 CO 0.68 0.03 -0.50 0.54 -0.23 0.00 0.00 178.00 178.51 2i4v s VAL 82 N -3.77 0.02 0.04 1.56 0.11 -1.26 -5.10 120.40 112.00 2i4v s VAL 82 Ca -0.00 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 2i4v s VAL 82 Cb 0.10 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2i4v s VAL 82 CO 0.53 -0.07 1.06 0.20 -3.33 0.00 0.00 175.10 173.49 2i4v s ASN 83 N -0.19 7.27 -0.01 3.54 0.01 -1.26 -4.83 114.94 119.47 2i4v s ASN 83 Ca -0.03 1.83 0.04 0.00 -0.71 0.00 0.00 52.86 53.99 2i4v s ASN 83 Cb -0.02 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2i4v s ASN 83 CO 0.01 -0.31 -0.13 0.68 -1.51 0.00 0.00 177.10 175.84 2i4v s VAL 84 N 0.84 1.00 -0.33 1.60 -7.23 -0.27 -0.79 120.40 115.21 2i4v s VAL 84 Ca 0.54 -0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 2i4v s VAL 84 Cb -0.25 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 2i4v s VAL 84 CO 0.29 0.28 0.39 -0.63 -0.31 0.00 0.00 175.10 175.13 2i4v s ILE 85 N -0.30 5.14 0.84 -0.62 -1.09 0.74 -1.02 121.20 124.88 2i4v s ILE 85 Ca 0.05 0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.54 2i4v s ILE 85 Cb -0.05 -3.83 0.15 0.00 -1.58 0.00 0.00 42.46 37.15 2i4v s ILE 85 CO -0.00 -0.09 1.16 -0.83 -1.23 0.00 0.00 174.94 173.95 2i4v s GLY 86 N 1.73 1.76 0.42 6.18 0.00 -1.25 -1.52 107.32 114.64 2i4v s GLY 86 Ca 0.13 -1.33 0.10 0.00 0.00 0.00 0.00 44.72 43.63 2i4v s GLY 86 CO 0.12 -0.69 2.02 3.21 0.00 0.00 0.00 173.10 177.76 2i4v h ARG 87 N -1.09 0.46 -0.99 2.90 3.08 -0.67 -1.93 114.38 116.13 2i4v h ARG 87 Ca -0.42 -0.03 0.22 0.00 0.07 0.00 0.00 59.98 59.83 2i4v h ARG 87 Cb 1.26 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.11 2i4v h ARG 87 CO 0.43 0.31 0.63 -0.97 -1.07 0.00 0.00 179.97 179.29 2i4v h ASN 88 N 0.47 0.59 0.07 7.04 -0.73 -1.64 -2.25 115.58 119.14 2i4v h ASN 88 Ca 0.21 0.08 -0.37 0.00 1.87 0.00 0.00 56.30 58.09 2i4v h ASN 88 Cb 0.23 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.76 2i4v h ASN 88 CO -0.05 0.18 -2.25 -0.11 -0.37 0.00 0.00 177.43 174.83 2i4v n LEU 89 N -4.68 2.60 -0.11 0.34 7.94 -0.82 -4.43 117.00 117.85 2i4v n LEU 89 Ca 0.23 0.03 0.06 0.00 -1.11 0.00 0.00 56.01 55.23 2i4v n LEU 89 Cb 0.71 -0.88 0.40 0.00 0.53 0.00 0.00 43.42 44.18 2i4v n LEU 89 CO 0.24 0.86 1.20 0.24 -1.11 0.00 0.00 177.39 178.82 2i4v h MET 90 N 0.03 0.62 -0.60 1.96 2.86 -1.11 -1.31 114.93 117.38 2i4v h MET 90 Ca -0.50 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.08 2i4v h MET 90 Cb 1.98 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 33.47 2i4v h MET 90 CO -0.00 0.41 0.28 1.79 1.06 0.00 0.00 176.91 180.44 2i4v h THR 91 N 0.64 1.20 0.00 2.22 1.35 -1.63 -1.80 112.91 114.89 2i4v h THR 91 Ca 0.25 -0.59 -0.03 0.00 -0.55 0.00 0.00 66.41 65.50 2i4v h THR 91 Cb 0.20 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 2i4v h THR 91 CO -0.07 0.24 -0.12 1.56 -0.25 0.00 0.00 175.52 176.88 2i4v h GLN 92 N 0.85 0.00 -0.68 4.72 1.08 -1.45 -1.57 115.11 118.07 2i4v h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2i4v h GLN 92 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2i4v h GLN 92 CO -0.03 0.12 0.00 0.44 -0.95 0.00 0.00 178.83 178.41 2i4v n ILE 93 N -3.98 0.92 -2.38 2.54 -5.35 -0.99 -4.96 119.36 105.17 2i4v n ILE 93 Ca -0.02 -0.96 -0.12 0.00 -0.27 0.00 0.00 62.75 61.38 2i4v n ILE 93 Cb 0.21 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2i4v n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i4v n GLY 94 N 1.63 -0.06 3.75 3.28 0.00 -0.59 -5.01 105.19 108.20 2i4v n GLY 94 Ca 0.24 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2i4v n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2i4v s MET 95 N -4.78 4.59 0.11 1.61 0.00 -0.71 -5.03 119.30 115.09 2i4v s MET 95 Ca 0.06 1.20 -0.02 0.00 0.00 0.00 0.00 55.69 56.93 2i4v s MET 95 Cb -0.03 -3.32 -0.04 0.00 0.00 0.00 0.00 34.83 31.45 2i4v s MET 95 CO 0.07 0.40 0.06 0.95 0.00 0.00 0.00 175.02 176.50 2i4v s THR 96 N -0.56 0.13 -0.12 10.11 -4.23 -1.26 -4.62 115.64 115.09 2i4v s THR 96 Ca 0.39 -1.83 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 2i4v s THR 96 Cb -0.22 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 2i4v s THR 96 CO 0.26 -0.59 0.20 -0.76 -0.54 0.00 0.00 174.62 173.20 2i4v s LEU 97 N -3.01 4.36 0.02 4.79 1.43 -1.26 -5.09 118.68 119.92 2i4v s LEU 97 Ca 0.19 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2i4v s LEU 97 Cb 0.07 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2i4v s LEU 97 CO -0.02 0.32 -0.07 0.20 0.23 0.00 0.00 176.35 177.01 2i4v s ASN 98 N -0.61 0.78 0.00 2.29 0.01 -1.26 -5.29 114.94 110.85 2i4v s ASN 98 Ca 0.15 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 2i4v s ASN 98 Cb -0.13 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.52 2i4v s ASN 98 CO 0.05 -0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.77