#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4d s GLN 2 N 0.00 2.68 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.05 2i4d s GLN 2 Ca 0.00 -0.62 0.01 0.00 0.05 0.00 0.00 55.36 54.79 2i4d s GLN 2 Cb 0.00 -2.50 0.02 0.00 1.10 0.00 0.00 33.01 31.63 2i4d s GLN 2 CO 0.00 0.62 -0.17 0.42 -0.55 0.00 0.00 175.29 175.61 2i4d s ILE 3 N -0.70 2.24 0.74 -2.34 1.01 -1.26 -5.12 121.20 115.78 2i4d s ILE 3 Ca 0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.67 2i4d s ILE 3 Cb -0.11 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.40 2i4d s ILE 3 CO 0.01 0.45 1.10 0.28 0.00 0.00 0.00 174.94 176.79 2i4d s THR 4 N 1.29 3.26 -0.70 2.92 -1.32 -1.26 -4.97 115.64 114.86 2i4d s THR 4 Ca 0.03 0.47 0.14 0.00 -1.21 0.00 0.00 61.69 61.12 2i4d s THR 4 Cb -0.14 -2.95 0.43 0.00 -1.51 0.00 0.00 72.50 68.32 2i4d s THR 4 CO -0.11 -0.48 1.35 0.18 -2.21 0.00 0.00 174.62 173.36 2i4d n LEU 5 N -3.17 3.45 0.10 9.08 4.77 -1.26 -4.53 117.00 125.44 2i4d n LEU 5 Ca 0.10 -2.40 0.03 0.00 -0.03 0.00 0.00 56.01 53.71 2i4d n LEU 5 Cb 0.53 -0.38 0.41 0.00 -2.33 0.00 0.00 43.42 41.65 2i4d n LEU 5 CO 0.51 0.72 0.97 -0.50 -1.33 0.00 0.00 177.39 177.76 2i4d h TRP 6 N 2.17 0.31 -2.76 -1.77 -0.00 -2.06 -3.44 115.95 108.40 2i4d h TRP 6 Ca 0.00 -0.02 -0.48 0.00 -0.00 0.00 0.00 58.89 58.39 2i4d h TRP 6 Cb 1.05 -0.09 -0.14 0.00 -0.00 0.00 0.00 29.16 29.98 2i4d h TRP 6 CO 0.38 0.34 -0.65 -0.65 -0.00 0.00 0.00 178.44 177.86 2i4d s GLN 7 N -4.93 1.57 0.15 0.49 1.11 -1.26 -5.10 119.66 111.68 2i4d s GLN 7 Ca -0.06 -1.82 -0.32 0.00 0.01 0.00 0.00 55.36 53.17 2i4d s GLN 7 Cb 0.16 -1.01 -0.11 0.00 -1.01 0.00 0.00 33.01 31.04 2i4d s GLN 7 CO 0.73 -0.05 1.79 0.54 0.01 0.00 0.00 175.29 178.31 2i4d n ARG 8 N -0.61 2.76 -2.26 2.91 1.74 -1.26 -4.85 116.66 115.09 2i4d n ARG 8 Ca -0.04 1.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.70 2i4d n ARG 8 Cb 0.65 -2.87 -0.04 0.00 -1.02 0.00 0.00 32.46 29.17 2i4d n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2i4d s PRO 9 N 2.15 3.05 0.04 5.56 0.04 -1.26 -4.95 135.00 139.64 2i4d s PRO 9 Ca 0.80 -1.37 -0.13 0.00 0.04 0.00 0.00 61.00 60.33 2i4d s PRO 9 Cb -0.50 -5.33 -0.06 0.00 0.04 0.00 0.00 34.50 28.65 2i4d s PRO 9 CO 0.36 -3.28 0.42 -0.51 0.04 0.00 0.00 177.00 174.03 2i4d s LEU 10 N 8.39 4.42 0.15 -3.56 1.43 -1.26 -1.32 118.68 126.92 2i4d s LEU 10 Ca 0.63 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2i4d s LEU 10 Cb 0.00 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2i4d s LEU 10 CO 0.09 0.25 0.11 0.68 0.23 0.00 0.00 176.35 177.71 2i4d s VAL 11 N -1.22 0.08 -0.23 -1.59 -7.23 -0.02 -4.96 120.40 105.23 2i4d s VAL 11 Ca 0.28 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2i4d s VAL 11 Cb -0.16 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2i4d s VAL 11 CO 0.15 -0.38 0.07 -0.89 -0.31 0.00 0.00 175.10 173.75 2i4d s THR 12 N -4.05 4.53 0.29 5.32 2.01 -1.26 -0.46 115.64 122.02 2i4d s THR 12 Ca 0.25 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.22 2i4d s THR 12 Cb 0.07 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 2i4d s THR 12 CO 0.03 0.38 0.12 0.27 -0.69 0.00 0.00 174.62 174.72 2i4d s ILE 13 N 1.17 3.65 -0.12 1.82 -4.36 -0.27 -4.46 121.20 118.64 2i4d s ILE 13 Ca 0.05 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 2i4d s ILE 13 Cb -0.14 -3.07 0.02 0.00 1.25 0.00 0.00 42.46 40.51 2i4d s ILE 13 CO 0.03 -0.30 -0.16 -0.75 0.24 0.00 0.00 174.94 174.00 2i4d s LYS 14 N -3.79 2.30 -0.22 0.37 2.47 -0.56 -2.18 119.74 118.13 2i4d s LYS 14 Ca 0.34 -0.59 -0.13 0.00 -1.56 0.00 0.00 55.97 54.04 2i4d s LYS 14 Cb -0.06 -1.97 0.07 0.00 -1.46 0.00 0.00 37.83 34.41 2i4d s LYS 14 CO 0.23 -0.08 0.53 -1.50 0.16 0.00 0.00 175.35 174.69 2i4d s ILE 15 N 1.03 -0.01 -2.03 5.43 2.07 -0.89 -1.43 121.20 125.35 2i4d s ILE 15 Ca -0.05 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2i4d s ILE 15 Cb -0.15 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.67 2i4d s ILE 15 CO -0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2i4d n GLY 16 N 4.18 0.90 1.91 1.50 0.00 -1.26 -1.46 105.19 110.96 2i4d n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2i4d n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4d n GLY 17 N -0.66 0.46 3.26 -0.02 0.00 -1.26 -5.05 105.19 101.91 2i4d n GLY 17 Ca -0.23 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 2i4d n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i4d s GLN 18 N -1.12 1.42 -0.21 1.61 -0.21 -0.54 -5.13 119.66 115.48 2i4d s GLN 18 Ca 0.00 -0.95 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 2i4d s GLN 18 Cb 0.00 -1.54 -0.05 0.00 1.00 0.00 0.00 33.01 32.42 2i4d s GLN 18 CO 0.00 0.39 0.22 -0.51 -2.12 0.00 0.00 175.29 173.27 2i4d s LEU 19 N -1.17 4.16 0.06 2.90 2.01 -1.26 -2.10 118.68 123.28 2i4d s LEU 19 Ca 0.08 0.26 0.04 0.00 0.01 0.00 0.00 54.13 54.52 2i4d s LEU 19 Cb -0.09 -2.22 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 2i4d s LEU 19 CO 0.02 0.06 -0.12 -0.54 1.01 0.00 0.00 176.35 176.78 2i4d s LYS 20 N 0.90 0.73 -0.14 1.70 1.02 -0.93 -4.99 119.74 118.03 2i4d s LYS 20 Ca 0.11 -0.91 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 2i4d s LYS 20 Cb -0.13 -0.65 -0.05 0.00 -0.52 0.00 0.00 37.83 36.48 2i4d s LYS 20 CO 0.04 0.14 0.29 -2.00 -0.92 0.00 0.00 175.35 172.89 2i4d s GLU 21 N -1.75 4.17 0.10 1.68 2.12 -1.26 -1.11 118.70 122.65 2i4d s GLU 21 Ca -0.04 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.41 2i4d s GLU 21 Cb -0.10 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2i4d s GLU 21 CO 0.02 0.32 -0.05 0.00 -0.54 0.00 0.00 175.26 175.00 2i4d s ALA 22 N 0.22 0.98 -0.27 6.30 0.00 0.39 -4.43 121.76 124.96 2i4d s ALA 22 Ca 0.17 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 2i4d s ALA 22 Cb -0.13 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2i4d s ALA 22 CO 0.05 -0.26 0.17 -1.17 0.00 0.00 0.00 175.76 174.55 2i4d s LEU 23 N -3.05 3.99 -0.52 0.00 2.96 0.12 -0.84 118.68 121.34 2i4d s LEU 23 Ca 0.13 -0.00 -0.27 0.00 -0.22 0.00 0.00 54.13 53.76 2i4d s LEU 23 Cb 0.06 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 2i4d s LEU 23 CO -0.04 -0.02 1.72 -0.76 -1.32 0.00 0.00 176.35 175.92 2i4d s LEU 24 N 1.60 3.38 -0.32 -0.68 1.43 -0.44 -0.54 118.68 123.12 2i4d s LEU 24 Ca 0.07 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2i4d s LEU 24 Cb -0.15 -2.94 0.08 0.00 0.03 0.00 0.00 46.19 43.21 2i4d s LEU 24 CO 0.09 -2.01 0.02 -0.62 0.23 0.00 0.00 176.35 174.05 2i4d s ASP 25 N 6.53 4.77 0.43 2.29 -1.08 -0.35 -4.80 116.67 124.47 2i4d s ASP 25 Ca 0.66 -1.73 0.29 0.00 -0.52 0.00 0.00 52.55 51.25 2i4d s ASP 25 Cb -0.15 -1.65 1.16 0.00 -1.46 0.00 0.00 42.92 40.82 2i4d s ASP 25 CO 0.25 -0.32 1.86 0.71 0.52 0.00 0.00 175.17 178.19 2i4d h THR 26 N 6.59 0.00 -0.00 1.71 1.35 -1.92 -2.55 112.91 118.08 2i4d h THR 26 Ca -0.13 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2i4d h THR 26 Cb 1.04 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2i4d h THR 26 CO 0.53 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 176.21 2i4d n GLY 27 N 0.13 -0.99 3.58 5.82 0.00 -1.26 -4.80 105.19 107.66 2i4d n GLY 27 Ca 0.01 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 2i4d n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i4d s ALA 28 N -2.64 3.50 0.16 4.61 0.00 -0.96 -4.98 121.76 121.45 2i4d s ALA 28 Ca 0.23 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2i4d s ALA 28 Cb 0.19 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.92 2i4d s ALA 28 CO 0.53 -0.50 1.62 -0.44 0.00 0.00 0.00 175.76 176.97 2i4d h ASP 29 N 8.26 0.87 -2.08 0.00 3.32 -1.87 0.10 116.42 125.03 2i4d h ASP 29 Ca -0.36 -0.29 -0.61 0.00 0.02 0.00 0.00 57.03 55.79 2i4d h ASP 29 Cb 1.19 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 2i4d h ASP 29 CO 0.56 0.95 -0.72 -1.81 -1.72 0.00 0.00 179.24 176.50 2i4d s ASP 30 N -6.36 3.67 0.03 6.45 1.01 -1.26 -2.65 116.67 117.56 2i4d s ASP 30 Ca -0.12 -1.10 -0.25 0.00 0.71 0.00 0.00 52.55 51.79 2i4d s ASP 30 Cb 0.12 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.67 2i4d s ASP 30 CO 0.82 -0.08 0.75 -0.89 0.21 0.00 0.00 175.17 175.99 2i4d s THR 31 N -2.55 4.78 -0.08 -1.27 2.01 -1.26 -3.54 115.64 113.73 2i4d s THR 31 Ca 0.31 1.59 -0.00 0.00 0.31 0.00 0.00 61.69 63.90 2i4d s THR 31 Cb -0.02 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2i4d s THR 31 CO 0.16 0.35 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.71 2i4d s VAL 32 N 0.05 0.70 0.19 3.82 1.01 0.27 -1.08 120.40 125.36 2i4d s VAL 32 Ca 0.38 -0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.36 2i4d s VAL 32 Cb -0.20 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2i4d s VAL 32 CO 0.22 0.30 -0.21 -0.76 0.00 0.00 0.00 175.10 174.65 2i4d s LEU 33 N 1.62 2.55 0.87 3.92 1.43 0.44 -0.28 118.68 129.22 2i4d s LEU 33 Ca 0.01 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.20 2i4d s LEU 33 Cb -0.13 -1.27 0.12 0.00 0.03 0.00 0.00 46.19 44.94 2i4d s LEU 33 CO -0.05 0.12 1.12 -1.83 0.23 0.00 0.00 176.35 175.94 2i4d s GLU 34 N -2.70 1.38 -0.02 1.70 -1.05 -1.25 -1.51 118.70 115.25 2i4d s GLU 34 Ca 0.22 1.35 -0.40 0.00 -0.15 0.00 0.00 54.97 55.99 2i4d s GLU 34 Cb -0.08 -1.78 -0.19 0.00 -0.44 0.00 0.00 34.13 31.63 2i4d s GLU 34 CO 0.11 -2.32 1.16 0.39 0.95 0.00 0.00 175.26 175.55 2i4d n GLU 35 N -4.00 0.23 -3.53 -4.83 -0.58 -1.18 -4.59 120.64 102.15 2i4d n GLU 35 Ca 0.10 0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.83 2i4d n GLU 35 Cb 0.53 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 2i4d n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i4d s MET 36 N 0.31 0.74 0.01 3.49 0.23 -1.26 -5.04 119.30 117.78 2i4d s MET 36 Ca 0.91 -0.11 -0.17 0.00 -1.03 0.00 0.00 55.69 55.28 2i4d s MET 36 Cb -1.22 0.34 -0.06 0.00 -1.53 0.00 0.00 34.83 32.36 2i4d s MET 36 CO 0.57 -0.29 0.50 -1.54 -2.03 0.00 0.00 175.02 172.22 2i4d s SER 37 N -1.93 6.91 0.02 -1.18 1.04 -1.26 -5.03 113.70 112.27 2i4d s SER 37 Ca 0.02 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.56 2i4d s SER 37 Cb -0.01 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 2i4d s SER 37 CO -0.04 0.25 -0.09 -0.76 0.98 0.00 0.00 173.24 173.58 2i4d s LEU 38 N -0.81 2.11 0.78 2.42 1.43 -1.26 -5.01 118.68 118.34 2i4d s LEU 38 Ca 0.27 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 2i4d s LEU 38 Cb -0.18 -0.37 0.06 0.00 0.03 0.00 0.00 46.19 45.73 2i4d s LEU 38 CO 0.16 0.00 1.09 -2.16 0.23 0.00 0.00 176.35 175.67 2i4d s PRO 39 N -0.74 2.24 0.16 1.29 0.04 -1.26 -4.93 135.00 131.81 2i4d s PRO 39 Ca -0.01 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2i4d s PRO 39 Cb -0.06 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2i4d s PRO 39 CO 0.00 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.92 2i4d n GLY 40 N -2.02 -2.48 3.93 0.56 0.00 -1.26 -4.98 105.19 98.94 2i4d n GLY 40 Ca 0.07 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 2i4d n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i4d s ARG 41 N -0.33 3.51 0.16 1.61 3.03 -1.26 -5.12 118.95 120.55 2i4d s ARG 41 Ca 0.00 -0.37 0.03 0.00 2.03 0.00 0.00 55.73 57.42 2i4d s ARG 41 Cb 0.00 -2.89 -0.05 0.00 -1.03 0.00 0.00 34.95 30.99 2i4d s ARG 41 CO 0.00 0.45 -0.03 1.67 -1.13 0.00 0.00 175.30 176.26 2i4d s TRP 42 N -1.78 1.21 -0.01 5.89 1.48 -1.26 -4.50 118.94 119.97 2i4d s TRP 42 Ca 0.38 -0.93 0.06 0.00 -1.06 0.00 0.00 56.10 54.54 2i4d s TRP 42 Cb -0.11 -0.68 -0.01 0.00 -1.16 0.00 0.00 33.47 31.51 2i4d s TRP 42 CO 0.28 -0.11 -0.18 0.15 -4.06 0.00 0.00 176.95 173.03 2i4d s LYS 43 N -3.86 1.46 0.34 3.25 1.02 -0.94 -4.88 119.74 116.13 2i4d s LYS 43 Ca 0.21 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.28 2i4d s LYS 43 Cb 0.05 -1.41 -0.09 0.00 -0.52 0.00 0.00 37.83 35.86 2i4d s LYS 43 CO 0.02 0.39 1.12 -1.25 -0.92 0.00 0.00 175.35 174.71 2i4d s PRO 44 N -0.43 4.36 0.04 -1.68 0.04 -1.26 -0.38 135.00 135.69 2i4d s PRO 44 Ca 0.07 1.77 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 2i4d s PRO 44 Cb -0.07 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2i4d s PRO 44 CO -0.01 -0.04 0.14 0.21 0.04 0.00 0.00 177.00 177.35 2i4d s LYS 45 N -1.94 0.64 -0.13 4.56 2.20 -0.18 -4.88 119.74 120.02 2i4d s LYS 45 Ca 0.51 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 2i4d s LYS 45 Cb -0.30 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.29 2i4d s LYS 45 CO 0.38 -0.17 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.35 2i4d s MET 46 N -2.68 2.86 0.03 4.03 -1.94 -1.26 -0.39 119.30 119.94 2i4d s MET 46 Ca -0.04 -0.80 0.08 0.00 -1.71 0.00 0.00 55.69 53.22 2i4d s MET 46 Cb -0.01 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.49 2i4d s MET 46 CO -0.05 -0.01 -0.24 0.96 -0.01 0.00 0.00 175.02 175.67 2i4d s ILE 47 N 0.82 1.93 0.15 2.53 -4.36 -0.78 -4.96 121.20 116.52 2i4d s ILE 47 Ca -0.08 -1.23 0.09 0.00 -0.26 0.00 0.00 60.65 59.18 2i4d s ILE 47 Cb -0.16 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 2i4d s ILE 47 CO -0.01 0.37 -0.21 -0.83 0.24 0.00 0.00 174.94 174.50 2i4d s GLY 48 N -1.03 1.40 0.00 6.27 0.00 -1.26 -1.26 107.32 111.44 2i4d s GLY 48 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2i4d s GLY 48 CO 0.01 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.27 2i4d n GLY 49 N 0.60 3.41 3.72 0.20 0.00 -0.69 -4.97 105.19 107.46 2i4d n GLY 49 Ca -0.16 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2i4d n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4d s ILE 50 N -1.46 2.82 0.00 -0.61 1.01 -1.26 -1.74 121.20 119.97 2i4d s ILE 50 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2i4d s ILE 50 Cb 0.00 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2i4d s ILE 50 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2i4d n GLY 51 N 3.62 0.75 0.00 6.18 0.00 -1.26 -4.95 105.19 109.53 2i4d n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2i4d n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i4d n GLY 52 N -2.00 -1.27 3.94 -0.02 0.00 -0.71 -5.05 105.19 100.09 2i4d n GLY 52 Ca 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 2i4d n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i4d s PHE 53 N 0.00 3.45 0.01 1.61 0.40 -1.26 -1.70 117.98 120.49 2i4d s PHE 53 Ca 0.00 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 2i4d s PHE 53 Cb 0.00 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2i4d s PHE 53 CO 0.00 0.49 -0.06 0.96 0.70 0.00 0.00 175.22 177.32 2i4d s ILE 54 N -1.83 0.40 0.09 0.64 -4.36 -0.39 -4.98 121.20 110.78 2i4d s ILE 54 Ca 0.34 -0.52 -0.23 0.00 -0.26 0.00 0.00 60.65 59.98 2i4d s ILE 54 Cb -0.10 -0.40 -0.07 0.00 1.25 0.00 0.00 42.46 43.14 2i4d s ILE 54 CO 0.28 -0.09 0.70 -0.75 0.24 0.00 0.00 174.94 175.32 2i4d s LYS 55 N -0.66 4.43 0.18 0.37 2.20 -1.26 -1.87 119.74 123.13 2i4d s LYS 55 Ca -0.03 0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 56.55 2i4d s LYS 55 Cb -0.05 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2i4d s LYS 55 CO -0.00 0.49 0.08 0.14 -0.36 0.00 0.00 175.35 175.71 2i4d s VAL 56 N -0.75 0.19 -0.21 4.02 -7.23 0.47 -4.41 120.40 112.47 2i4d s VAL 56 Ca 0.34 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2i4d s VAL 56 Cb -0.21 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2i4d s VAL 56 CO 0.22 -0.23 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.65 2i4d s ARG 57 N -4.07 3.56 -0.28 4.82 0.52 -0.11 -1.01 118.95 122.37 2i4d s ARG 57 Ca 0.32 -0.55 -0.20 0.00 -0.52 0.00 0.00 55.73 54.78 2i4d s ARG 57 Cb 0.07 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 2i4d s ARG 57 CO 0.07 -0.06 0.61 -1.14 0.02 0.00 0.00 175.30 174.81 2i4d s GLN 58 N 1.17 3.99 -0.12 3.54 0.74 0.49 -1.42 119.66 128.05 2i4d s GLN 58 Ca 0.03 0.38 -0.00 0.00 0.05 0.00 0.00 55.36 55.81 2i4d s GLN 58 Cb -0.14 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2i4d s GLN 58 CO 0.01 -0.49 -0.10 0.71 -0.55 0.00 0.00 175.29 174.87 2i4d s TYR 59 N 2.53 2.87 0.29 1.67 1.51 -0.03 -2.22 117.35 123.98 2i4d s TYR 59 Ca 0.25 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 56.00 2i4d s TYR 59 Cb -0.15 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2i4d s TYR 59 CO 0.10 -0.03 0.12 -0.51 -1.11 0.00 0.00 175.55 174.12 2i4d s ASP 60 N 0.04 4.89 -1.30 2.29 1.01 -1.26 -0.30 116.67 122.05 2i4d s ASP 60 Ca -0.03 -0.57 -0.02 0.00 0.71 0.00 0.00 52.55 52.64 2i4d s ASP 60 Cb -0.14 -0.96 0.01 0.00 1.01 0.00 0.00 42.92 42.84 2i4d s ASP 60 CO 0.04 -0.13 0.87 0.00 0.21 0.00 0.00 175.17 176.15 2i4d n GLN 61 N -1.08 -5.80 -3.79 8.23 1.13 -1.20 -4.94 117.38 109.92 2i4d n GLN 61 Ca -0.05 0.71 -0.36 0.00 -1.94 0.00 0.00 57.00 55.36 2i4d n GLN 61 Cb 0.59 -5.50 -0.07 0.00 0.11 0.00 0.00 30.24 25.37 2i4d n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2i4d s ILE 62 N -3.50 5.44 -0.08 5.09 -1.09 -0.54 -4.85 121.20 121.67 2i4d s ILE 62 Ca 0.11 0.19 -0.21 0.00 -2.23 0.00 0.00 60.65 58.52 2i4d s ILE 62 Cb -0.05 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2i4d s ILE 62 CO 0.78 0.51 0.59 -0.22 -1.23 0.00 0.00 174.94 175.36 2i4d s LEU 63 N -0.14 4.32 -0.03 2.97 2.96 -1.26 -1.80 118.68 125.69 2i4d s LEU 63 Ca 0.10 1.03 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2i4d s LEU 63 Cb -0.11 -2.89 0.03 0.00 0.50 0.00 0.00 46.19 43.71 2i4d s LEU 63 CO 0.00 -0.03 0.03 -0.63 -1.32 0.00 0.00 176.35 174.40 2i4d s ILE 64 N 0.55 0.02 -0.07 6.68 1.01 0.18 -4.55 121.20 125.01 2i4d s ILE 64 Ca 0.32 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 61.02 2i4d s ILE 64 Cb -0.17 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2i4d s ILE 64 CO 0.15 0.15 0.54 -0.70 0.00 0.00 0.00 174.94 175.08 2i4d s GLU 65 N 1.51 4.33 -0.21 2.79 2.12 -0.52 -1.11 118.70 127.60 2i4d s GLU 65 Ca -0.03 0.60 -0.08 0.00 0.36 0.00 0.00 54.97 55.82 2i4d s GLU 65 Cb -0.13 -3.40 0.09 0.00 0.26 0.00 0.00 34.13 30.95 2i4d s GLU 65 CO -0.03 0.23 0.47 -1.50 -0.54 0.00 0.00 175.26 173.89 2i4d s ILE 66 N 0.33 -0.55 -1.75 -3.70 2.07 0.52 -1.50 121.20 116.61 2i4d s ILE 66 Ca 0.29 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.65 2i4d s ILE 66 Cb -0.16 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2i4d s ILE 66 CO 0.14 0.05 0.00 0.00 -1.91 0.00 0.00 174.94 173.22 2i4d n GLY 68 N -0.99 0.71 3.40 0.00 0.00 -1.26 -5.04 105.19 102.02 2i4d n GLY 68 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2i4d n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i4d s HIS 69 N -2.56 2.94 -0.36 1.61 4.02 -0.44 -5.08 115.29 115.42 2i4d s HIS 69 Ca 0.00 -0.59 -0.21 0.00 1.02 0.00 0.00 55.06 55.29 2i4d s HIS 69 Cb 0.00 -1.97 0.00 0.00 -1.02 0.00 0.00 32.58 29.59 2i4d s HIS 69 CO 0.00 -0.24 0.66 0.15 1.02 0.00 0.00 174.74 176.33 2i4d s LYS 70 N 0.70 3.69 0.09 1.40 3.01 -1.26 -0.35 119.74 127.02 2i4d s LYS 70 Ca -0.03 0.09 0.07 0.00 -1.01 0.00 0.00 55.97 55.09 2i4d s LYS 70 Cb -0.15 -3.81 -0.03 0.00 -1.01 0.00 0.00 37.83 32.83 2i4d s LYS 70 CO 0.02 -0.75 -0.17 0.00 0.51 0.00 0.00 175.35 174.96 2i4d s ALA 71 N 2.76 1.49 0.03 5.17 0.00 -0.27 -4.98 121.76 125.96 2i4d s ALA 71 Ca 0.25 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2i4d s ALA 71 Cb -0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 2i4d s ALA 71 CO 0.15 0.26 -0.11 0.42 0.00 0.00 0.00 175.76 176.48 2i4d s ILE 72 N -1.23 3.29 -0.06 0.00 1.01 -1.26 -0.64 121.20 122.30 2i4d s ILE 72 Ca 0.02 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.41 2i4d s ILE 72 Cb -0.10 -2.43 0.08 0.00 0.01 0.00 0.00 42.46 40.02 2i4d s ILE 72 CO 0.03 0.33 1.15 0.61 0.00 0.00 0.00 174.94 177.06 2i4d n GLY 73 N 1.42 0.17 3.76 6.18 0.00 -0.75 -4.90 105.19 111.08 2i4d n GLY 73 Ca -0.15 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 2i4d n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i4d s THR 74 N -2.01 4.18 -0.08 2.61 2.01 -1.26 -1.47 115.64 119.61 2i4d s THR 74 Ca 0.27 1.93 0.01 0.00 0.31 0.00 0.00 61.69 64.22 2i4d s THR 74 Cb -0.00 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.30 2i4d s THR 74 CO -0.02 0.46 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 2i4d s VAL 75 N -1.23 1.14 -0.19 3.82 1.01 0.60 -4.31 120.40 121.23 2i4d s VAL 75 Ca 0.41 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2i4d s VAL 75 Cb -0.24 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2i4d s VAL 75 CO 0.29 0.37 0.12 -0.76 0.00 0.00 0.00 175.10 175.12 2i4d s LEU 76 N 0.99 4.15 -0.18 3.92 1.43 -0.24 -0.85 118.68 127.89 2i4d s LEU 76 Ca -0.08 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2i4d s LEU 76 Cb -0.15 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2i4d s LEU 76 CO -0.00 0.19 -0.15 -0.69 0.23 0.00 0.00 176.35 175.93 2i4d s VAL 77 N 0.32 2.61 0.04 -1.59 1.01 -0.51 -0.42 120.40 121.87 2i4d s VAL 77 Ca 0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 2i4d s VAL 77 Cb -0.11 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2i4d s VAL 77 CO -0.02 0.50 0.41 0.61 0.00 0.00 0.00 175.10 176.61 2i4d n GLY 78 N 4.40 0.87 2.27 4.51 0.00 -0.57 -0.94 105.19 115.72 2i4d n GLY 78 Ca -0.19 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 2i4d n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i4d n PRO 79 N -0.29 1.56 -2.87 1.61 -0.04 -1.26 -3.13 135.00 130.58 2i4d n PRO 79 Ca -0.00 -0.88 -0.40 0.00 -0.04 0.00 0.00 63.50 62.18 2i4d n PRO 79 Cb 0.21 -1.99 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 2i4d n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2i4d s THR 80 N 2.05 4.34 -0.31 0.52 -1.32 -1.26 -4.95 115.64 114.72 2i4d s THR 80 Ca 0.44 1.88 0.26 0.00 -1.21 0.00 0.00 61.69 63.05 2i4d s THR 80 Cb 0.19 -4.23 0.27 0.00 -1.51 0.00 0.00 72.50 67.22 2i4d s THR 80 CO -0.01 0.46 1.77 1.55 -2.21 0.00 0.00 174.62 176.18 2i4d h PRO 81 N 4.66 0.00 -2.99 7.08 0.13 -1.98 -3.43 132.00 135.46 2i4d h PRO 81 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 2i4d h PRO 81 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 2i4d h PRO 81 CO 0.68 0.00 -0.22 0.54 -0.23 0.00 0.00 178.00 178.77 2i4d s VAL 82 N -3.44 0.06 0.05 1.56 0.11 -1.26 -5.11 120.40 112.37 2i4d s VAL 82 Ca 0.02 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.30 2i4d s VAL 82 Cb 0.09 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2i4d s VAL 82 CO 0.39 -0.26 1.02 0.20 -3.33 0.00 0.00 175.10 173.12 2i4d s ASN 83 N -1.49 7.35 -0.08 3.54 0.01 -1.26 -4.75 114.94 118.27 2i4d s ASN 83 Ca -0.11 1.78 0.03 0.00 -0.71 0.00 0.00 52.86 53.84 2i4d s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2i4d s ASN 83 CO 0.03 -0.24 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.58 2i4d s ILE 84 N 0.68 1.49 -0.40 0.60 1.01 0.61 -0.70 121.20 124.48 2i4d s ILE 84 Ca 0.52 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 60.33 2i4d s ILE 84 Cb -0.23 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2i4d s ILE 84 CO 0.29 0.43 0.29 -0.63 0.00 0.00 0.00 174.94 175.33 2i4d s ILE 85 N 0.54 5.23 0.74 2.92 -1.09 0.30 -0.56 121.20 129.27 2i4d s ILE 85 Ca -0.16 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 2i4d s ILE 85 Cb -0.17 -3.90 0.12 0.00 -1.58 0.00 0.00 42.46 36.93 2i4d s ILE 85 CO 0.06 -0.29 1.02 -0.83 -1.23 0.00 0.00 174.94 173.67 2i4d s GLY 86 N 1.68 1.76 0.44 6.18 0.00 -1.23 -1.21 107.32 114.94 2i4d s GLY 86 Ca 0.05 -1.48 0.17 0.00 0.00 0.00 0.00 44.72 43.47 2i4d s GLY 86 CO 0.10 -0.93 1.91 3.21 0.00 0.00 0.00 173.10 177.39 2i4d h ARG 87 N -0.65 0.36 -0.57 2.90 3.08 -0.79 -1.39 114.38 117.31 2i4d h ARG 87 Ca -0.39 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.78 2i4d h ARG 87 Cb 1.27 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2i4d h ARG 87 CO 0.44 0.23 0.40 -2.95 -1.07 0.00 0.00 179.97 177.02 2i4d h ASN 88 N 0.37 0.12 0.01 7.04 -1.07 -1.76 -1.75 115.58 118.53 2i4d h ASN 88 Ca 0.38 0.01 -0.38 0.00 0.07 0.00 0.00 56.30 56.38 2i4d h ASN 88 Cb 0.96 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 37.13 2i4d h ASN 88 CO -0.12 0.07 -2.43 -0.11 0.07 0.00 0.00 177.43 174.91 2i4d n LEU 89 N -4.41 2.09 -0.31 6.14 7.94 -0.65 -4.36 117.00 123.44 2i4d n LEU 89 Ca 0.10 -0.08 0.06 0.00 -1.11 0.00 0.00 56.01 54.98 2i4d n LEU 89 Cb 0.55 -0.50 0.27 0.00 0.53 0.00 0.00 43.42 44.27 2i4d n LEU 89 CO 0.36 0.80 1.24 -0.07 -1.11 0.00 0.00 177.39 178.61 2i4d h LEU 90 N 0.00 0.86 -0.61 -1.96 3.38 -0.91 -2.02 115.31 114.05 2i4d h LEU 90 Ca -0.56 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2i4d h LEU 90 Cb 2.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 2i4d h LEU 90 CO -0.05 0.51 0.23 0.71 0.09 0.00 0.00 178.44 179.94 2i4d h THR 91 N 0.95 1.23 -0.19 0.22 1.35 -1.55 -2.11 112.91 112.83 2i4d h THR 91 Ca 0.42 -0.75 0.05 0.00 -0.55 0.00 0.00 66.41 65.58 2i4d h THR 91 Cb 0.35 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 2i4d h THR 91 CO -0.18 0.29 0.13 1.56 -0.25 0.00 0.00 175.52 177.07 2i4d h GLN 92 N 0.85 0.04 -0.36 4.72 1.08 -1.56 0.02 115.11 119.90 2i4d h GLN 92 Ca 0.20 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2i4d h GLN 92 Cb 0.22 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2i4d h GLN 92 CO -0.01 0.03 0.00 0.44 -0.95 0.00 0.00 178.83 178.33 2i4d n ILE 93 N -4.49 0.47 -2.56 2.54 -5.35 -1.11 -4.95 119.36 103.92 2i4d n ILE 93 Ca 0.01 -0.62 -0.12 0.00 -0.27 0.00 0.00 62.75 61.75 2i4d n ILE 93 Cb 0.24 0.64 0.01 0.00 -1.74 0.00 0.00 39.64 38.79 2i4d n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i4d n GLY 94 N 1.36 -0.00 3.76 3.28 0.00 -0.01 -5.01 105.19 108.56 2i4d n GLY 94 Ca 0.18 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2i4d n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2i4d s MET 95 N -5.01 4.49 0.07 1.61 0.00 -0.81 -5.04 119.30 114.61 2i4d s MET 95 Ca 0.12 1.06 0.01 0.00 0.00 0.00 0.00 55.69 56.88 2i4d s MET 95 Cb -0.05 -3.33 -0.04 0.00 0.00 0.00 0.00 34.83 31.41 2i4d s MET 95 CO 0.15 0.39 -0.05 0.95 0.00 0.00 0.00 175.02 176.46 2i4d s THR 96 N -0.42 0.47 -0.07 10.11 -4.23 -1.26 -4.66 115.64 115.58 2i4d s THR 96 Ca 0.37 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.01 2i4d s THR 96 Cb -0.21 -1.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 2i4d s THR 96 CO 0.23 -0.83 0.38 -0.76 -0.54 0.00 0.00 174.62 173.10 2i4d s LEU 97 N -2.72 4.37 0.01 4.79 1.43 -1.26 -5.09 118.68 120.22 2i4d s LEU 97 Ca 0.06 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2i4d s LEU 97 Cb 0.03 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 2i4d s LEU 97 CO -0.06 0.21 -0.06 0.20 0.23 0.00 0.00 176.35 176.87 2i4d s ASN 98 N -0.36 0.72 0.00 2.29 0.01 -1.26 -5.29 114.94 111.05 2i4d s ASN 98 Ca 0.22 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 2i4d s ASN 98 Cb -0.15 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.48 2i4d s ASN 98 CO 0.10 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.88