#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv4 s ILE 3 N 0.00 1.20 -0.00 0.55 2.07 -1.26 -0.49 121.20 123.27 1iv4 s ILE 3 Ca 0.00 -1.52 -0.08 0.00 -1.41 0.00 0.00 60.65 57.64 1iv4 s ILE 3 Cb 0.00 -1.31 0.00 0.00 0.13 0.00 0.00 42.46 41.28 1iv4 s ILE 3 CO 0.00 -0.34 0.15 -0.83 -1.91 0.00 0.00 174.94 172.01 1iv4 s GLY 4 N -2.12 0.02 -0.05 1.50 0.00 -0.69 -4.19 107.32 101.79 1iv4 s GLY 4 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.72 1iv4 s GLY 4 CO 0.02 -0.20 -0.13 -0.47 0.00 0.00 0.00 173.10 172.32 1iv4 s TYR 5 N -1.28 1.44 0.05 1.90 5.04 -1.26 -1.01 117.35 122.24 1iv4 s TYR 5 Ca -0.14 -0.45 -0.07 0.00 -2.44 0.00 0.00 57.07 53.98 1iv4 s TYR 5 Cb -0.07 -1.01 -0.01 0.00 0.35 0.00 0.00 41.96 41.22 1iv4 s TYR 5 CO 0.02 -0.19 0.13 0.20 -1.34 0.00 0.00 175.55 174.36 1iv4 s GLY 6 N 0.30 0.15 0.06 8.97 0.00 -0.29 -4.36 107.32 112.15 1iv4 s GLY 6 Ca -0.08 -0.55 0.01 0.00 0.00 0.00 0.00 44.72 44.10 1iv4 s GLY 6 CO 0.02 -0.71 -0.06 -0.54 0.00 0.00 0.00 173.10 171.81 1iv4 s GLU 7 N -2.97 0.63 0.07 2.90 2.02 -1.26 -0.57 118.70 119.52 1iv4 s GLU 7 Ca -0.02 -1.02 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 1iv4 s GLU 7 Cb 0.01 -0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.10 1iv4 s GLU 7 CO -0.06 -0.00 0.31 0.34 0.02 0.00 0.00 175.26 175.86 1iv4 s ASP 8 N -2.28 -0.11 0.07 -0.19 2.15 -0.39 -4.45 116.67 111.47 1iv4 s ASP 8 Ca -0.00 -0.29 -0.11 0.00 0.43 0.00 0.00 52.55 52.58 1iv4 s ASP 8 Cb -0.02 0.38 0.01 0.00 -0.30 0.00 0.00 42.92 42.99 1iv4 s ASP 8 CO -0.03 -0.68 0.25 -0.94 -0.17 0.00 0.00 175.17 173.59 1iv4 s SER 9 N -2.34 -0.01 -0.07 -0.34 1.04 -1.26 -0.90 113.70 109.83 1iv4 s SER 9 Ca -0.02 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 1iv4 s SER 9 Cb 0.01 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1iv4 s SER 9 CO -0.06 -0.66 0.18 -1.00 0.98 0.00 0.00 173.24 172.67 1iv4 s HIS 10 N -3.13 -0.19 0.41 5.02 3.76 0.01 -4.99 115.29 116.17 1iv4 s HIS 10 Ca -0.01 0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 55.11 1iv4 s HIS 10 Cb 0.01 0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.68 1iv4 s HIS 10 CO -0.07 -0.09 1.38 0.50 -0.85 0.00 0.00 174.74 175.60 1iv4 s ARG 11 N 0.11 3.94 -0.12 1.40 3.52 -1.26 -0.91 118.95 125.63 1iv4 s ARG 11 Ca -0.00 2.32 -0.06 0.00 -0.13 0.00 0.00 55.73 57.86 1iv4 s ARG 11 Cb -0.01 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1iv4 s ARG 11 CO 0.00 -0.57 0.12 -0.51 -0.81 0.00 0.00 175.30 173.52 1iv4 s LEU 12 N -2.40 4.24 0.05 -0.88 1.43 0.20 -1.14 118.68 120.18 1iv4 s LEU 12 Ca 0.57 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.09 1iv4 s LEU 12 Cb -0.42 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1iv4 s LEU 12 CO 0.54 0.39 -0.08 -1.61 0.23 0.00 0.00 176.35 175.83 1iv4 s GLU 13 N -0.93 0.57 0.31 1.70 2.02 0.85 -4.86 118.70 118.37 1iv4 s GLU 13 Ca 0.14 -0.84 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 1iv4 s GLU 13 Cb -0.12 -0.28 -0.11 0.00 0.10 0.00 0.00 34.13 33.72 1iv4 s GLU 13 CO 0.03 0.04 1.58 -1.21 0.02 0.00 0.00 175.26 175.72 1iv4 s GLU 14 N -1.91 4.11 -0.17 1.61 8.01 -1.26 -1.25 118.70 127.84 1iv4 s GLU 14 Ca -0.07 2.59 0.00 0.00 0.01 0.00 0.00 54.97 57.50 1iv4 s GLU 14 Cb -0.08 -3.01 0.00 0.00 -4.31 0.00 0.00 34.13 26.73 1iv4 s GLU 14 CO -0.00 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 175.06 1iv4 n GLY 15 N 1.79 0.51 3.91 -1.39 0.00 0.12 -4.88 105.19 105.27 1iv4 n GLY 15 Ca 0.07 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1iv4 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iv4 s ARG 16 N -1.14 3.50 0.44 1.61 0.52 -1.19 -4.96 118.95 117.73 1iv4 s ARG 16 Ca 0.00 -0.33 -0.24 0.00 -0.52 0.00 0.00 55.73 54.64 1iv4 s ARG 16 Cb 0.00 -2.96 -0.08 0.00 0.52 0.00 0.00 34.95 32.43 1iv4 s ARG 16 CO 0.00 0.55 1.21 -1.25 0.02 0.00 0.00 175.30 175.82 1iv4 s PRO 17 N -2.64 3.82 -0.26 3.54 0.04 -1.26 -2.40 135.00 135.84 1iv4 s PRO 17 Ca 0.37 1.90 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 1iv4 s PRO 17 Cb -0.12 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1iv4 s PRO 17 CO 0.27 -0.53 0.11 -1.17 0.04 0.00 0.00 177.00 175.71 1iv4 s LEU 18 N -2.81 3.63 -0.16 -3.56 2.96 -1.26 -3.10 118.68 114.38 1iv4 s LEU 18 Ca 0.61 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 1iv4 s LEU 18 Cb -0.32 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1iv4 s LEU 18 CO 0.39 -0.03 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.03 1iv4 s TYR 19 N 1.60 2.98 -0.06 5.38 2.02 -1.26 -0.21 117.35 127.80 1iv4 s TYR 19 Ca 0.06 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1iv4 s TYR 19 Cb -0.15 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1iv4 s TYR 19 CO 0.06 -0.13 0.14 -0.51 -1.57 0.00 0.00 175.55 173.53 1iv4 s LEU 20 N 0.51 0.88 -1.46 -1.29 1.43 -0.22 -4.07 118.68 114.47 1iv4 s LEU 20 Ca -0.04 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1iv4 s LEU 20 Cb -0.15 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.44 1iv4 s LEU 20 CO 0.03 -0.13 0.00 0.00 0.23 0.00 0.00 176.35 176.48 1iv4 n GLY 22 N -0.84 0.52 3.58 0.00 0.00 -1.26 -4.47 105.19 102.71 1iv4 n GLY 22 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1iv4 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iv4 s LEU 23 N 0.00 3.06 0.01 0.99 1.43 -0.60 -5.05 118.68 118.52 1iv4 s LEU 23 Ca 0.00 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1iv4 s LEU 23 Cb 0.00 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1iv4 s LEU 23 CO 0.00 0.21 1.26 -0.22 0.23 0.00 0.00 176.35 177.83 1iv4 s LEU 24 N -1.99 4.33 -0.23 1.79 1.98 -1.26 -1.05 118.68 122.24 1iv4 s LEU 24 Ca 0.20 2.00 -0.03 0.00 -2.89 0.00 0.00 54.13 53.41 1iv4 s LEU 24 Cb -0.11 -3.57 0.01 0.00 0.66 0.00 0.00 46.19 43.18 1iv4 s LEU 24 CO 0.12 -0.58 -0.06 -0.63 -1.89 0.00 0.00 176.35 173.31 1iv4 s ILE 25 N 1.75 3.09 0.04 6.68 -1.09 0.70 -4.96 121.20 127.41 1iv4 s ILE 25 Ca 0.59 -0.75 -0.36 0.00 -2.23 0.00 0.00 60.65 57.90 1iv4 s ILE 25 Cb -0.29 -2.47 -0.14 0.00 -1.58 0.00 0.00 42.46 37.98 1iv4 s ILE 25 CO 0.26 0.33 1.59 -2.65 -1.23 0.00 0.00 174.94 173.24 1iv4 n PRO 26 N 4.74 1.75 -3.57 2.79 -0.02 -1.26 -4.16 135.00 135.25 1iv4 n PRO 26 Ca -0.18 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 1iv4 n PRO 26 Cb 0.49 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1iv4 n PRO 26 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iv4 s SER 27 N 1.75 -0.55 0.53 2.55 0.15 -1.26 -4.86 113.70 112.00 1iv4 s SER 27 Ca 0.86 0.77 0.33 0.00 0.70 0.00 0.00 55.95 58.61 1iv4 s SER 27 Cb -0.81 0.68 1.37 0.00 -1.71 0.00 0.00 66.02 65.55 1iv4 s SER 27 CO 0.47 -0.40 1.98 1.55 1.20 0.00 0.00 173.24 178.04 1iv4 h PRO 28 N 3.40 0.00 -4.49 5.44 0.13 -1.92 -3.45 132.00 131.11 1iv4 h PRO 28 Ca -0.25 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.64 1iv4 h PRO 28 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 1iv4 h PRO 28 CO 0.26 0.00 -0.72 0.14 -0.23 0.00 0.00 178.00 177.46 1iv4 s VAL 29 N -3.65 0.50 0.31 1.56 -7.23 -1.26 -0.70 120.40 109.93 1iv4 s VAL 29 Ca 0.01 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 58.72 1iv4 s VAL 29 Cb 0.09 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 36.13 1iv4 s VAL 29 CO 0.53 -0.57 0.61 -0.83 -0.31 0.00 0.00 175.10 174.52 1iv4 s GLY 30 N -2.05 0.60 0.24 2.32 0.00 -0.38 -4.27 107.32 103.78 1iv4 s GLY 30 Ca -0.04 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 1iv4 s GLY 30 CO -0.02 -0.53 1.32 0.00 0.00 0.00 0.00 173.10 173.87 1iv4 s ALA 31 N -3.30 3.53 -0.66 3.20 0.00 -1.18 -0.11 121.76 123.25 1iv4 s ALA 31 Ca 0.20 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 1iv4 s ALA 31 Cb -0.03 -3.49 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1iv4 s ALA 31 CO 0.12 -0.58 0.96 -1.17 0.00 0.00 0.00 175.76 175.10 1iv4 s LEU 32 N -0.61 4.39 0.23 0.00 2.96 -0.29 -4.79 118.68 120.57 1iv4 s LEU 32 Ca 0.55 -1.00 -0.21 0.00 -0.22 0.00 0.00 54.13 53.25 1iv4 s LEU 32 Cb -0.38 -2.42 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1iv4 s LEU 32 CO 0.43 -1.44 0.66 0.00 -1.32 0.00 0.00 176.35 174.68 1iv4 s ALA 33 N 4.05 -1.30 -0.55 5.97 0.00 -1.26 -4.57 121.76 124.10 1iv4 s ALA 33 Ca 0.22 -0.06 0.24 0.00 0.00 0.00 0.00 51.96 52.37 1iv4 s ALA 33 Cb -0.17 0.87 0.46 0.00 0.00 0.00 0.00 23.12 24.27 1iv4 s ALA 33 CO 0.10 -0.93 1.54 0.45 0.00 0.00 0.00 175.76 176.92 1iv4 h HIS 34 N 2.02 0.00 -4.09 0.00 3.86 -2.03 -3.46 115.15 111.45 1iv4 h HIS 34 Ca -0.25 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 58.90 1iv4 h HIS 34 Cb 1.27 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.75 1iv4 h HIS 34 CO 0.36 0.00 -0.00 -1.13 0.86 0.00 0.00 177.93 178.02 1iv4 n SER 35 N -2.59 0.25 0.00 2.45 3.41 -1.26 -4.78 113.62 111.10 1iv4 n SER 35 Ca 0.04 -1.19 0.13 0.00 -0.26 0.00 0.00 58.87 57.59 1iv4 n SER 35 Cb 0.48 -0.07 0.63 0.00 -0.26 0.00 0.00 64.21 65.00 1iv4 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1iv4 n ASP 36 N -2.94 0.00 -1.34 4.04 3.85 -1.26 -4.91 116.55 113.99 1iv4 n ASP 36 Ca 0.02 0.06 -0.14 0.00 -0.71 0.00 0.00 54.79 54.01 1iv4 n ASP 36 Cb 0.08 -0.34 -0.04 0.00 -1.35 0.00 0.00 41.12 39.47 1iv4 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iv4 n GLY 37 N 0.98 0.74 3.55 6.12 0.00 -1.26 -4.33 105.19 110.99 1iv4 n GLY 37 Ca 0.11 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1iv4 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iv4 s ASP 38 N -2.63 5.72 0.35 1.61 -1.08 -1.26 -4.79 116.67 114.60 1iv4 s ASP 38 Ca 0.00 -0.31 0.07 0.00 -0.52 0.00 0.00 52.55 51.79 1iv4 s ASP 38 Cb 0.00 -2.55 0.66 0.00 -1.46 0.00 0.00 42.92 39.57 1iv4 s ASP 38 CO 0.00 -2.13 1.86 0.00 0.52 0.00 0.00 175.17 175.43 1iv4 h ALA 39 N 12.06 1.39 0.00 3.66 0.00 -1.92 -0.75 119.26 133.70 1iv4 h ALA 39 Ca -0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1iv4 h ALA 39 Cb 1.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1iv4 h ALA 39 CO 1.27 0.42 -0.00 0.00 0.00 0.00 0.00 179.25 180.94 1iv4 h ALA 40 N 1.54 -0.00 -0.19 0.00 0.00 -1.88 -0.40 119.26 118.33 1iv4 h ALA 40 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1iv4 h ALA 40 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iv4 h ALA 40 CO 0.02 -0.38 0.12 0.52 0.00 0.00 0.00 179.25 179.53 1iv4 h MET 41 N -0.24 0.26 -0.39 0.00 2.86 -1.87 -2.01 114.93 113.55 1iv4 h MET 41 Ca -0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1iv4 h MET 41 Cb 0.24 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1iv4 h MET 41 CO 0.00 0.20 0.14 0.45 1.06 0.00 0.00 176.91 178.75 1iv4 h HIS 42 N 0.24 0.61 -0.68 -0.22 3.86 -1.05 -0.41 115.15 117.51 1iv4 h HIS 42 Ca 0.07 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1iv4 h HIS 42 Cb -0.00 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1iv4 h HIS 42 CO -0.06 0.56 0.41 0.00 0.86 0.00 0.00 177.93 179.71 1iv4 h ALA 43 N 0.98 0.86 -0.63 2.45 0.00 -0.96 0.04 119.26 122.01 1iv4 h ALA 43 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1iv4 h ALA 43 Cb 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1iv4 h ALA 43 CO -0.01 0.33 0.12 -0.07 0.00 0.00 0.00 179.25 179.62 1iv4 h LEU 44 N 0.92 0.97 -0.13 0.00 3.38 -1.25 0.10 115.31 119.30 1iv4 h LEU 44 Ca 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1iv4 h LEU 44 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1iv4 h LEU 44 CO -0.05 0.96 0.02 0.74 0.09 0.00 0.00 178.44 180.20 1iv4 h THR 45 N 0.96 1.22 -0.93 0.22 2.02 -0.49 -0.79 112.91 115.12 1iv4 h THR 45 Ca 0.20 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1iv4 h THR 45 Cb 0.40 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1iv4 h THR 45 CO 0.01 0.20 0.59 0.44 0.37 0.00 0.00 175.52 177.13 1iv4 h ASP 46 N -0.01 1.09 -0.62 4.18 3.32 -0.88 -0.72 116.42 122.78 1iv4 h ASP 46 Ca 0.04 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1iv4 h ASP 46 Cb 0.30 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1iv4 h ASP 46 CO 0.00 0.81 0.38 0.00 -1.72 0.00 0.00 179.24 178.71 1iv4 h ALA 47 N 1.38 0.79 -0.31 3.45 0.00 -0.60 0.15 119.26 124.12 1iv4 h ALA 47 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1iv4 h ALA 47 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1iv4 h ALA 47 CO -0.07 0.27 0.15 -0.07 0.00 0.00 0.00 179.25 179.54 1iv4 h LEU 48 N 0.85 0.41 -0.71 0.00 3.38 -0.64 -1.88 115.31 116.71 1iv4 h LEU 48 Ca 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1iv4 h LEU 48 Cb -0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1iv4 h LEU 48 CO -0.04 0.41 0.36 -0.07 0.09 0.00 0.00 178.44 179.19 1iv4 h LEU 49 N 0.37 0.92 -1.48 1.67 3.38 -0.94 -2.42 115.31 116.81 1iv4 h LEU 49 Ca 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iv4 h LEU 49 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1iv4 h LEU 49 CO -0.01 0.78 0.31 -1.28 0.09 0.00 0.00 178.44 178.32 1iv4 h SER 50 N 0.99 0.58 0.33 -0.43 0.87 -0.48 -0.55 113.55 114.86 1iv4 h SER 50 Ca 0.25 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1iv4 h SER 50 Cb 0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1iv4 h SER 50 CO -0.03 0.44 0.00 0.00 -0.53 0.00 0.00 176.83 176.70 1iv4 h ALA 51 N 1.67 1.00 0.00 6.23 0.00 -0.81 -1.85 119.26 125.49 1iv4 h ALA 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1iv4 h ALA 51 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1iv4 h ALA 51 CO -0.04 0.00 -0.00 0.66 0.00 0.00 0.00 179.25 179.87 1iv4 n TYR 52 N -2.77 0.00 -1.96 0.00 4.02 -0.71 -4.75 117.16 110.99 1iv4 n TYR 52 Ca -0.01 -0.49 -0.11 0.00 -0.01 0.00 0.00 57.90 57.27 1iv4 n TYR 52 Cb 0.14 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 1iv4 n TYR 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iv4 n GLY 53 N -0.52 0.28 0.01 2.72 0.00 -0.70 -4.90 105.19 102.08 1iv4 n GLY 53 Ca 0.01 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1iv4 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iv4 n LEU 54 N -1.50 0.44 0.00 0.99 4.77 -0.30 -5.00 117.00 116.39 1iv4 n LEU 54 Ca -0.13 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iv4 n LEU 54 Cb 0.53 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1iv4 n LEU 54 CO 0.16 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1iv4 n GLY 55 N 1.48 0.21 3.39 -0.72 0.00 -1.26 -4.94 105.19 103.35 1iv4 n GLY 55 Ca 0.05 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 1iv4 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iv4 s ASP 56 N -4.00 0.97 0.42 1.61 1.47 -1.26 -4.24 116.67 111.64 1iv4 s ASP 56 Ca 0.00 -1.51 0.18 0.00 1.18 0.00 0.00 52.55 52.40 1iv4 s ASP 56 Cb 0.00 0.59 0.94 0.00 -0.34 0.00 0.00 42.92 44.10 1iv4 s ASP 56 CO 0.00 -1.15 1.88 0.16 0.68 0.00 0.00 175.17 176.74 1iv4 h ILE 57 N 2.20 0.96 0.00 2.11 3.07 -1.93 -1.63 117.51 122.29 1iv4 h ILE 57 Ca -0.28 -1.08 -0.09 0.00 1.55 0.00 0.00 64.86 64.96 1iv4 h ILE 57 Cb 1.24 1.63 -0.01 0.00 -0.27 0.00 0.00 36.82 39.40 1iv4 h ILE 57 CO 0.40 0.28 -0.41 1.23 -1.05 0.00 0.00 178.15 178.60 1iv4 h GLY 58 N 1.24 0.00 0.23 0.16 0.00 -1.97 0.12 103.07 102.86 1iv4 h GLY 58 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1iv4 h GLY 58 CO 0.04 0.00 -0.07 -2.00 0.00 0.00 0.00 176.54 174.51 1iv4 h LEU 59 N 0.00 0.05 0.00 3.11 5.85 -1.82 -3.33 115.31 119.18 1iv4 h LEU 59 Ca -0.00 -0.83 -0.26 0.00 0.84 0.00 0.00 57.88 57.63 1iv4 h LEU 59 Cb 0.87 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1iv4 h LEU 59 CO 0.05 0.87 -1.44 -0.07 -0.34 0.00 0.00 178.44 177.51 1iv4 h LEU 60 N -0.76 0.01 -4.76 2.25 3.38 -1.30 -3.39 115.31 110.75 1iv4 h LEU 60 Ca -0.01 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.42 1iv4 h LEU 60 Cb 0.89 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.22 1iv4 h LEU 60 CO 0.01 1.02 -0.89 0.49 0.09 0.00 0.00 178.44 179.16 1iv4 n PHE 61 N -3.17 2.63 -2.33 1.13 3.72 0.42 -5.04 117.46 114.82 1iv4 n PHE 61 Ca -0.11 -3.08 -0.33 0.00 -0.05 0.00 0.00 57.45 53.88 1iv4 n PHE 61 Cb 1.01 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 39.32 1iv4 n PHE 61 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1iv4 s PRO 62 N -3.37 3.70 0.00 -1.08 0.04 -1.25 -4.76 135.00 128.28 1iv4 s PRO 62 Ca 0.41 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1iv4 s PRO 62 Cb 0.41 -2.09 0.44 0.00 0.04 0.00 0.00 34.50 33.30 1iv4 s PRO 62 CO -0.11 -0.49 1.28 -0.40 0.04 0.00 0.00 177.00 177.32 1iv4 n ASP 63 N -1.55 0.00 0.08 6.66 5.68 -1.26 -1.71 116.55 124.46 1iv4 n ASP 63 Ca 0.08 -1.76 0.13 0.00 -0.50 0.00 0.00 54.79 52.74 1iv4 n ASP 63 Cb 0.53 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.88 1iv4 n ASP 63 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1iv4 n THR 64 N -0.62 0.47 -3.35 2.12 -2.24 -1.26 -4.64 114.28 104.76 1iv4 n THR 64 Ca 0.06 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 1iv4 n THR 64 Cb 0.03 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 67.72 1iv4 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iv4 s ASP 65 N -4.27 6.23 0.64 3.42 -1.08 -0.69 -4.96 116.67 115.96 1iv4 s ASP 65 Ca 0.10 -0.10 0.36 0.00 -0.52 0.00 0.00 52.55 52.38 1iv4 s ASP 65 Cb 0.13 -2.22 1.97 0.00 -1.46 0.00 0.00 42.92 41.35 1iv4 s ASP 65 CO 0.62 -0.36 2.18 1.55 0.52 0.00 0.00 175.17 179.67 1iv4 h PRO 66 N 8.42 0.00 0.00 4.34 0.13 -1.87 -0.65 132.00 142.38 1iv4 h PRO 66 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1iv4 h PRO 66 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1iv4 h PRO 66 CO 0.71 0.00 -0.41 0.00 -0.23 0.00 0.00 178.00 178.07 1iv4 h ARG 67 N 0.00 0.00 0.00 0.86 3.08 -1.93 -3.31 114.38 113.08 1iv4 h ARG 67 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1iv4 h ARG 67 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1iv4 h ARG 67 CO -0.00 0.41 -1.37 0.91 -1.07 0.00 0.00 179.97 178.85 1iv4 n TRP 68 N -3.98 0.00 -1.72 3.04 5.03 -0.36 -4.86 117.44 114.60 1iv4 n TRP 68 Ca -0.02 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.09 1iv4 n TRP 68 Cb 0.45 -0.19 -0.03 0.00 -1.03 0.00 0.00 31.31 30.51 1iv4 n TRP 68 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 1iv4 n ARG 69 N -1.79 2.65 -0.80 -0.99 0.63 -0.56 -2.03 116.66 113.77 1iv4 n ARG 69 Ca -0.02 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1iv4 n ARG 69 Cb 0.22 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.37 1iv4 n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1iv4 n GLY 70 N 3.32 0.45 3.79 5.14 0.00 -1.26 -5.00 105.19 111.63 1iv4 n GLY 70 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1iv4 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iv4 s GLU 71 N -0.60 3.12 0.67 1.61 0.41 -0.86 -5.02 118.70 118.03 1iv4 s GLU 71 Ca 0.00 1.31 -0.17 0.00 -0.41 0.00 0.00 54.97 55.70 1iv4 s GLU 71 Cb 0.00 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1iv4 s GLU 71 CO 0.00 -0.98 1.20 1.03 -0.49 0.00 0.00 175.26 176.02 1iv4 s ARG 72 N -4.02 2.54 0.56 1.61 0.52 -1.26 -4.77 118.95 114.14 1iv4 s ARG 72 Ca 0.66 1.77 0.34 0.00 -0.52 0.00 0.00 55.73 57.98 1iv4 s ARG 72 Cb -0.18 -1.88 1.63 0.00 0.52 0.00 0.00 34.95 35.03 1iv4 s ARG 72 CO 0.38 -1.53 2.10 0.77 0.02 0.00 0.00 175.30 177.04 1iv4 h SER 73 N 0.24 0.00 0.42 0.23 0.02 -1.96 -1.48 113.55 111.01 1iv4 h SER 73 Ca -0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 1iv4 h SER 73 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 1iv4 h SER 73 CO 0.52 0.05 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.09 1iv4 h GLU 74 N 0.00 0.00 -0.58 3.45 4.81 -1.96 -2.02 114.58 118.28 1iv4 h GLU 74 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1iv4 h GLU 74 Cb 0.35 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1iv4 h GLU 74 CO 0.01 0.09 0.22 0.28 -0.73 0.00 0.00 179.01 178.88 1iv4 h VAL 75 N 0.00 1.23 -0.28 0.32 2.07 -1.63 0.95 116.25 118.91 1iv4 h VAL 75 Ca -0.00 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 1iv4 h VAL 75 Cb 0.33 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1iv4 h VAL 75 CO 0.01 0.28 -0.21 -0.26 0.02 0.00 0.00 177.57 177.42 1iv4 h PHE 76 N 0.80 0.75 -0.60 1.57 0.04 -1.50 -1.76 116.94 116.24 1iv4 h PHE 76 Ca 0.19 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1iv4 h PHE 76 Cb 0.22 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1iv4 h PHE 76 CO 0.01 0.91 0.37 1.25 -0.60 0.00 0.00 178.31 180.25 1iv4 h LEU 77 N 0.38 0.72 -1.18 1.54 5.85 -1.23 0.75 115.31 122.13 1iv4 h LEU 77 Ca 0.05 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1iv4 h LEU 77 Cb 0.75 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1iv4 h LEU 77 CO 0.06 0.56 0.09 0.03 -0.34 0.00 0.00 178.44 178.83 1iv4 h ARG 78 N 0.81 0.66 -0.19 1.25 3.08 -0.68 -0.00 114.38 119.31 1iv4 h ARG 78 Ca 0.22 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1iv4 h ARG 78 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1iv4 h ARG 78 CO -0.04 0.61 -0.53 1.49 -1.07 0.00 0.00 179.97 180.43 1iv4 h GLU 79 N 0.64 0.55 -0.71 0.04 4.57 -0.78 0.01 114.58 118.89 1iv4 h GLU 79 Ca 0.14 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 1iv4 h GLU 79 Cb 0.27 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1iv4 h GLU 79 CO -0.00 0.94 0.33 0.00 -1.18 0.00 0.00 179.01 179.10 1iv4 h ALA 80 N 0.99 0.92 -0.63 2.92 0.00 -0.25 -0.73 119.26 122.49 1iv4 h ALA 80 Ca 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1iv4 h ALA 80 Cb 1.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1iv4 h ALA 80 CO 0.10 0.50 0.19 0.52 0.00 0.00 0.00 179.25 180.56 1iv4 h MET 81 N 1.00 0.98 -0.75 0.00 2.86 -0.75 -1.44 114.93 116.82 1iv4 h MET 81 Ca 0.24 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1iv4 h MET 81 Cb 0.14 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1iv4 h MET 81 CO -0.03 0.86 0.47 -0.09 1.06 0.00 0.00 176.91 179.19 1iv4 h ARG 82 N 0.90 0.88 -0.34 1.72 2.43 -0.44 0.01 114.38 119.54 1iv4 h ARG 82 Ca 0.20 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1iv4 h ARG 82 Cb 0.30 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1iv4 h ARG 82 CO -0.01 0.58 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.93 1iv4 h LEU 83 N 0.90 0.62 -0.35 3.80 3.38 -0.67 -1.64 115.31 121.35 1iv4 h LEU 83 Ca 0.31 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1iv4 h LEU 83 Cb 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1iv4 h LEU 83 CO -0.13 0.81 -0.72 -0.37 0.09 0.00 0.00 178.44 178.13 1iv4 h VAL 84 N 0.42 1.34 -0.75 1.22 -1.51 -1.10 -3.05 116.25 112.82 1iv4 h VAL 84 Ca 0.09 -2.04 0.01 0.00 -1.23 0.00 0.00 66.70 63.53 1iv4 h VAL 84 Cb 0.51 2.02 -0.04 0.00 -2.13 0.00 0.00 31.29 31.66 1iv4 h VAL 84 CO 0.02 0.63 0.49 -0.33 -1.23 0.00 0.00 177.57 177.15 1iv4 h GLU 85 N 0.38 1.00 0.00 5.19 5.08 -0.93 0.10 114.58 125.39 1iv4 h GLU 85 Ca -0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1iv4 h GLU 85 Cb 1.30 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1iv4 h GLU 85 CO 0.13 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.81 1iv4 h ALA 86 N 1.51 1.00 -0.45 3.43 0.00 -1.23 -1.23 119.26 122.29 1iv4 h ALA 86 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1iv4 h ALA 86 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1iv4 h ALA 86 CO -0.06 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.73 1iv4 n ARG 87 N -2.51 2.45 0.00 0.00 1.74 -0.06 -4.93 116.66 113.35 1iv4 n ARG 87 Ca 0.01 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 1iv4 n ARG 87 Cb 0.20 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1iv4 n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iv4 n GLY 88 N 1.49 0.52 3.77 -0.13 0.00 -0.46 -5.08 105.19 105.29 1iv4 n GLY 88 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1iv4 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iv4 s ALA 89 N -2.00 2.83 -0.23 4.61 0.00 -0.73 -4.97 121.76 121.27 1iv4 s ALA 89 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1iv4 s ALA 89 Cb 0.00 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.76 1iv4 s ALA 89 CO 0.00 -0.86 -0.04 0.15 0.00 0.00 0.00 175.76 175.01 1iv4 s LYS 90 N -2.94 1.48 0.19 0.00 1.02 -1.26 -4.42 119.74 113.81 1iv4 s LYS 90 Ca 0.69 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 1iv4 s LYS 90 Cb -0.30 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.42 1iv4 s LYS 90 CO 0.35 -0.60 1.39 -1.17 -0.92 0.00 0.00 175.35 174.40 1iv4 s LEU 91 N 1.47 4.39 -0.09 3.17 2.96 -1.26 -0.06 118.68 129.27 1iv4 s LEU 91 Ca -0.05 2.49 0.04 0.00 -0.22 0.00 0.00 54.13 56.39 1iv4 s LEU 91 Cb -0.18 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.82 1iv4 s LEU 91 CO -0.06 -0.63 -0.03 -0.11 -1.32 0.00 0.00 176.35 174.19 1iv4 n LEU 92 N 2.91 1.49 -3.58 -0.68 7.94 -0.01 -4.87 117.00 120.20 1iv4 n LEU 92 Ca 0.08 -0.03 -0.15 0.00 -1.11 0.00 0.00 56.01 54.80 1iv4 n LEU 92 Cb 0.41 -0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.22 1iv4 n LEU 92 CO 0.59 0.43 0.46 -1.58 -1.11 0.00 0.00 177.39 176.18 1iv4 s GLN 93 N -2.19 0.90 -0.06 1.96 0.74 -0.95 -4.87 119.66 115.20 1iv4 s GLN 93 Ca -0.08 0.62 0.02 0.00 0.05 0.00 0.00 55.36 55.96 1iv4 s GLN 93 Cb 0.03 0.43 0.02 0.00 1.10 0.00 0.00 33.01 34.59 1iv4 s GLN 93 CO 0.27 -0.20 -0.09 0.00 -0.55 0.00 0.00 175.29 174.72 1iv4 s ALA 94 N -0.38 1.03 -0.12 1.58 0.00 -0.73 -1.27 121.76 121.88 1iv4 s ALA 94 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1iv4 s ALA 94 Cb -0.03 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1iv4 s ALA 94 CO 0.04 0.02 -0.11 0.45 0.00 0.00 0.00 175.76 176.17 1iv4 s SER 95 N 0.84 2.36 0.08 0.00 0.15 -0.18 0.26 113.70 117.21 1iv4 s SER 95 Ca -0.12 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 1iv4 s SER 95 Cb -0.15 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.15 1iv4 s SER 95 CO 0.01 -0.07 0.09 -1.48 1.20 0.00 0.00 173.24 172.99 1iv4 s LEU 96 N 1.46 1.90 -0.09 3.45 2.34 0.15 -0.61 118.68 127.27 1iv4 s LEU 96 Ca 0.02 -0.85 0.03 0.00 0.06 0.00 0.00 54.13 53.39 1iv4 s LEU 96 Cb -0.13 0.63 0.00 0.00 -0.56 0.00 0.00 46.19 46.13 1iv4 s LEU 96 CO -0.07 -0.68 -0.21 -0.69 -1.06 0.00 0.00 176.35 173.64 1iv4 s VAL 97 N -3.90 1.84 -0.17 1.48 1.01 0.05 -2.03 120.40 118.68 1iv4 s VAL 97 Ca 0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1iv4 s VAL 97 Cb 0.06 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1iv4 s VAL 97 CO -0.09 0.51 0.01 -0.76 0.00 0.00 0.00 175.10 174.77 1iv4 s LEU 98 N 0.45 3.51 -0.22 3.92 1.43 -0.42 -1.89 118.68 125.45 1iv4 s LEU 98 Ca -0.17 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1iv4 s LEU 98 Cb -0.17 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1iv4 s LEU 98 CO 0.07 0.16 -0.07 -0.89 0.23 0.00 0.00 176.35 175.85 1iv4 s THR 99 N 0.46 3.07 -0.23 5.49 2.01 0.98 -0.63 115.64 126.79 1iv4 s THR 99 Ca -0.00 -0.69 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 1iv4 s THR 99 Cb -0.13 -2.43 0.13 0.00 0.01 0.00 0.00 72.50 70.08 1iv4 s THR 99 CO 0.02 0.38 1.06 -1.48 -0.69 0.00 0.00 174.62 173.90 1iv4 s LEU 100 N 1.41 -0.37 -0.02 4.42 2.34 -0.31 -0.91 118.68 125.25 1iv4 s LEU 100 Ca 0.04 0.56 -0.21 0.00 0.06 0.00 0.00 54.13 54.58 1iv4 s LEU 100 Cb -0.15 1.78 -0.29 0.00 -0.56 0.00 0.00 46.19 46.98 1iv4 s LEU 100 CO -0.05 -0.23 0.97 0.44 -1.06 0.00 0.00 176.35 176.43 1iv4 h ASP 101 N 3.25 0.52 -5.07 1.48 5.19 -1.82 -3.34 116.42 116.64 1iv4 h ASP 101 Ca -0.23 -0.89 -0.12 0.00 -0.62 0.00 0.00 57.03 55.18 1iv4 h ASP 101 Cb 1.17 -0.17 -0.18 0.00 0.18 0.00 0.00 39.33 40.34 1iv4 h ASP 101 CO 0.21 1.36 -0.43 0.00 -3.12 0.00 0.00 179.24 177.26 1iv4 s ARG 102 N -2.71 0.65 0.85 3.56 1.70 -1.26 -4.67 118.95 117.07 1iv4 s ARG 102 Ca -0.13 -0.64 -0.12 0.00 -0.47 0.00 0.00 55.73 54.37 1iv4 s ARG 102 Cb 0.02 0.26 0.10 0.00 -0.57 0.00 0.00 34.95 34.77 1iv4 s ARG 102 CO 0.84 -0.18 1.14 -1.25 -1.08 0.00 0.00 175.30 174.76 1iv4 s PRO 103 N -2.47 1.61 0.20 3.89 0.04 -1.26 -4.93 135.00 132.09 1iv4 s PRO 103 Ca -0.06 0.33 -0.31 0.00 0.04 0.00 0.00 61.00 61.00 1iv4 s PRO 103 Cb -0.02 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1iv4 s PRO 103 CO -0.04 -1.88 1.58 0.15 0.04 0.00 0.00 177.00 176.85 1iv4 s LYS 104 N -5.32 4.19 0.01 4.56 -0.14 -1.26 -4.91 119.74 116.88 1iv4 s LYS 104 Ca 0.62 2.43 0.22 0.00 -1.36 0.00 0.00 55.97 57.88 1iv4 s LYS 104 Cb -0.14 -3.11 -0.14 0.00 -1.68 0.00 0.00 37.83 32.76 1iv4 s LYS 104 CO 0.52 -0.61 0.84 1.28 -0.76 0.00 0.00 175.35 176.62 1iv4 n LEU 105 N 3.49 0.56 -0.24 3.17 4.77 -1.26 -4.44 117.00 123.05 1iv4 n LEU 105 Ca 0.12 -0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1iv4 n LEU 105 Cb 0.38 -0.04 0.17 0.00 -2.33 0.00 0.00 43.42 41.60 1iv4 n LEU 105 CO 0.62 0.09 0.90 1.23 -1.33 0.00 0.00 177.39 178.90 1iv4 h GLY 106 N 4.52 0.94 1.91 -0.72 0.00 -2.00 0.26 103.07 107.98 1iv4 h GLY 106 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1iv4 h GLY 106 CO 0.00 -0.22 0.04 -2.55 0.00 0.00 0.00 176.54 173.81 1iv4 h PRO 107 N 0.21 0.00 -0.20 4.80 0.11 -2.01 -1.70 132.00 133.22 1iv4 h PRO 107 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1iv4 h PRO 107 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1iv4 h PRO 107 CO -0.54 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.97 1iv4 n HIS 108 N -3.15 0.23 -0.17 0.65 8.25 0.86 -4.69 115.22 117.20 1iv4 n HIS 108 Ca -0.03 -0.12 -0.03 0.00 -0.26 0.00 0.00 57.72 57.29 1iv4 n HIS 108 Cb 0.11 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.29 1iv4 n HIS 108 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1iv4 h ARG 109 N 4.56 0.39 -0.24 -0.41 2.43 -0.78 -0.51 114.38 119.80 1iv4 h ARG 109 Ca 0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1iv4 h ARG 109 Cb 0.99 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1iv4 h ARG 109 CO 0.00 0.26 0.11 -0.22 -1.51 0.00 0.00 179.97 178.60 1iv4 h LYS 110 N 0.40 0.23 -0.50 0.20 3.64 -1.84 -1.51 116.57 117.20 1iv4 h LYS 110 Ca 0.25 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1iv4 h LYS 110 Cb 0.26 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1iv4 h LYS 110 CO -0.24 0.15 -0.07 0.00 -2.27 0.00 0.00 179.45 177.01 1iv4 h ALA 111 N 1.13 0.93 -0.31 5.00 0.00 -1.74 0.97 119.26 125.25 1iv4 h ALA 111 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1iv4 h ALA 111 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1iv4 h ALA 111 CO -0.08 0.63 0.08 -0.07 0.00 0.00 0.00 179.25 179.80 1iv4 h LEU 112 N 0.81 0.46 -0.54 0.00 3.38 -0.86 0.43 115.31 119.00 1iv4 h LEU 112 Ca 0.14 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1iv4 h LEU 112 Cb 0.59 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1iv4 h LEU 112 CO 0.04 0.57 -0.16 0.58 0.09 0.00 0.00 178.44 179.55 1iv4 h VAL 113 N 0.33 1.27 -0.97 1.22 2.07 -1.13 -1.42 116.25 117.61 1iv4 h VAL 113 Ca 0.10 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1iv4 h VAL 113 Cb 0.28 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1iv4 h VAL 113 CO 0.00 0.46 0.63 0.44 0.02 0.00 0.00 177.57 179.13 1iv4 h ASP 114 N 0.89 1.04 -0.07 0.57 3.32 -0.59 0.31 116.42 121.88 1iv4 h ASP 114 Ca 0.13 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1iv4 h ASP 114 Cb 0.74 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1iv4 h ASP 114 CO 0.06 0.70 0.01 -1.28 -1.72 0.00 0.00 179.24 177.00 1iv4 h SER 115 N 1.20 0.12 -0.73 6.45 0.87 -0.48 -1.10 113.55 119.88 1iv4 h SER 115 Ca 0.40 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1iv4 h SER 115 Cb 0.05 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1iv4 h SER 115 CO -0.14 0.37 0.36 -0.07 -0.53 0.00 0.00 176.83 176.83 1iv4 h LEU 116 N -0.14 0.95 -0.44 2.23 3.38 -0.98 0.59 115.31 120.90 1iv4 h LEU 116 Ca 0.02 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1iv4 h LEU 116 Cb 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1iv4 h LEU 116 CO 0.00 0.80 0.28 -1.28 0.09 0.00 0.00 178.44 178.33 1iv4 h SER 117 N 1.05 0.46 -0.36 -0.43 0.87 -0.81 -0.73 113.55 113.61 1iv4 h SER 117 Ca 0.26 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1iv4 h SER 117 Cb 0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1iv4 h SER 117 CO -0.03 0.33 0.07 -0.09 -0.53 0.00 0.00 176.83 176.58 1iv4 h ARG 118 N 0.56 0.59 -0.34 2.24 2.43 -0.85 -0.50 114.38 118.51 1iv4 h ARG 118 Ca 0.17 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1iv4 h ARG 118 Cb -0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1iv4 h ARG 118 CO -0.06 0.64 0.01 -0.07 -1.51 0.00 0.00 179.97 178.99 1iv4 h LEU 119 N 0.43 0.57 -0.69 3.80 4.07 -0.75 -3.20 115.31 119.54 1iv4 h LEU 119 Ca 0.11 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1iv4 h LEU 119 Cb 0.33 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1iv4 h LEU 119 CO 0.00 0.73 -0.29 0.23 -1.08 0.00 0.00 178.44 178.03 1iv4 n MET 120 N -4.54 1.03 -3.55 1.13 2.81 -0.29 -4.95 117.12 108.75 1iv4 n MET 120 Ca -0.02 -0.69 -0.20 0.00 -1.81 0.00 0.00 57.70 54.98 1iv4 n MET 120 Cb 0.26 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.35 1iv4 n MET 120 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iv4 n ARG 121 N -0.38 -6.44 -4.50 0.03 1.74 -0.25 -5.00 116.66 101.85 1iv4 n ARG 121 Ca 0.12 0.78 -0.30 0.00 -0.77 0.00 0.00 57.85 57.68 1iv4 n ARG 121 Cb 0.39 -5.70 -0.12 0.00 -1.02 0.00 0.00 32.46 26.00 1iv4 n ARG 121 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iv4 s LEU 122 N -6.67 2.58 0.68 0.55 1.43 -0.87 -5.05 118.68 111.33 1iv4 s LEU 122 Ca 0.15 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 1iv4 s LEU 122 Cb -0.07 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1iv4 s LEU 122 CO 0.75 0.21 1.16 -2.16 0.23 0.00 0.00 176.35 176.55 1iv4 s PRO 123 N -1.79 2.55 0.56 1.29 0.04 -1.26 -4.57 135.00 131.82 1iv4 s PRO 123 Ca 0.16 1.58 0.25 0.00 0.04 0.00 0.00 61.00 63.03 1iv4 s PRO 123 Cb -0.10 -1.90 1.50 0.00 0.04 0.00 0.00 34.50 34.03 1iv4 s PRO 123 CO 0.07 -1.48 2.08 1.96 0.04 0.00 0.00 177.00 179.67 1iv4 h GLN 124 N -0.01 0.00 0.00 4.56 4.20 -1.94 0.01 115.11 121.93 1iv4 h GLN 124 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1iv4 h GLN 124 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1iv4 h GLN 124 CO 0.52 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.28 1iv4 n ASP 125 N -4.14 0.00 -0.79 1.46 5.68 -1.26 -2.31 116.55 115.19 1iv4 n ASP 125 Ca 0.03 0.05 0.08 0.00 -0.50 0.00 0.00 54.79 54.45 1iv4 n ASP 125 Cb 0.36 -0.33 0.16 0.00 -1.14 0.00 0.00 41.12 40.17 1iv4 n ASP 125 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iv4 n ARG 126 N -1.33 2.30 -3.64 0.11 5.12 -0.02 -4.81 116.66 114.39 1iv4 n ARG 126 Ca 0.11 -1.99 -0.40 0.00 -1.93 0.00 0.00 57.85 53.64 1iv4 n ARG 126 Cb 0.22 -1.34 -0.12 0.00 -1.16 0.00 0.00 32.46 30.06 1iv4 n ARG 126 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1iv4 s ILE 127 N -1.08 4.36 -0.62 0.55 -1.09 -0.98 -1.78 121.20 120.57 1iv4 s ILE 127 Ca 0.27 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.72 1iv4 s ILE 127 Cb 0.15 -3.42 0.16 0.00 -1.58 0.00 0.00 42.46 37.77 1iv4 s ILE 127 CO 0.21 -0.19 0.48 -0.83 -1.23 0.00 0.00 174.94 173.38 1iv4 s GLY 128 N 1.52 2.37 -0.20 6.18 0.00 0.14 -5.00 107.32 112.33 1iv4 s GLY 128 Ca 0.01 -3.00 -0.04 0.00 0.00 0.00 0.00 44.72 41.69 1iv4 s GLY 128 CO 0.06 1.14 -0.02 -2.27 0.00 0.00 0.00 173.10 172.01 1iv4 s LEU 129 N 0.54 3.14 0.09 0.66 2.96 -1.26 0.30 118.68 125.11 1iv4 s LEU 129 Ca 0.13 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1iv4 s LEU 129 Cb -0.20 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1iv4 s LEU 129 CO -0.04 0.06 -0.12 0.42 -1.32 0.00 0.00 176.35 175.35 1iv4 s THR 130 N 0.99 1.07 0.08 3.68 -4.23 -0.86 -5.00 115.64 111.36 1iv4 s THR 130 Ca 0.01 -1.49 0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1iv4 s THR 130 Cb -0.14 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 1iv4 s THR 130 CO 0.01 -0.39 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.08 1iv4 s PHE 131 N -1.86 2.25 0.07 3.99 0.08 -1.26 -1.31 117.98 119.94 1iv4 s PHE 131 Ca 0.02 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.59 1iv4 s PHE 131 Cb -0.06 -1.30 -0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1iv4 s PHE 131 CO 0.02 0.20 0.19 0.15 -0.10 0.00 0.00 175.22 175.67 1iv4 s LYS 132 N -1.54 0.80 0.72 0.44 -0.14 0.20 -4.95 119.74 115.26 1iv4 s LYS 132 Ca 0.12 -0.86 -0.07 0.00 -1.36 0.00 0.00 55.97 53.80 1iv4 s LYS 132 Cb -0.10 0.33 0.07 0.00 -1.68 0.00 0.00 37.83 36.45 1iv4 s LYS 132 CO 0.03 -0.25 1.04 0.95 -0.76 0.00 0.00 175.35 176.37 1iv4 s THR 133 N -3.46 2.24 -2.09 2.17 -4.23 -1.25 -1.16 115.64 107.85 1iv4 s THR 133 Ca 0.02 -0.25 0.28 0.00 -1.18 0.00 0.00 61.69 60.55 1iv4 s THR 133 Cb 0.03 -2.98 0.47 0.00 1.34 0.00 0.00 72.50 71.36 1iv4 s THR 133 CO -0.09 0.00 1.74 -1.54 -0.54 0.00 0.00 174.62 174.19 1iv4 n SER 134 N -2.98 1.08 -3.47 3.99 3.41 -1.26 -4.70 113.62 109.69 1iv4 n SER 134 Ca 0.09 -1.13 -0.25 0.00 -0.26 0.00 0.00 58.87 57.32 1iv4 n SER 134 Cb 0.60 0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.64 1iv4 n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iv4 n GLU 135 N -0.35 -6.16 0.00 4.33 -0.58 -1.26 -1.16 120.64 115.47 1iv4 n GLU 135 Ca 0.16 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 1iv4 n GLU 135 Cb 0.32 -5.71 0.00 0.00 -0.57 0.00 0.00 31.44 25.48 1iv4 n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iv4 n GLY 136 N -1.73 2.62 0.28 0.62 0.00 -1.26 -4.88 105.19 100.84 1iv4 n GLY 136 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1iv4 n GLY 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iv4 h LEU 137 N 0.00 0.95 -5.99 0.99 5.85 -1.55 -3.38 115.31 112.19 1iv4 h LEU 137 Ca 0.00 -0.30 -0.52 0.00 0.84 0.00 0.00 57.88 57.90 1iv4 h LEU 137 Cb 0.00 -0.26 -0.40 0.00 0.37 0.00 0.00 40.66 40.38 1iv4 h LEU 137 CO 0.00 1.02 -1.14 0.00 -0.34 0.00 0.00 178.44 177.98 1iv4 n ALA 138 N -2.46 2.27 0.37 1.25 0.00 -1.26 -4.97 120.51 115.71 1iv4 n ALA 138 Ca 0.02 -3.45 0.13 0.00 0.00 0.00 0.00 53.44 50.14 1iv4 n ALA 138 Cb 0.33 -0.87 0.54 0.00 0.00 0.00 0.00 19.45 19.44 1iv4 n ALA 138 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1iv4 h PRO 139 N 3.45 0.00 -0.38 0.00 0.13 -1.94 -2.75 132.00 130.51 1iv4 h PRO 139 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1iv4 h PRO 139 Cb 0.92 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.97 1iv4 h PRO 139 CO 0.49 0.00 0.02 0.43 -0.23 0.00 0.00 178.00 178.71 1iv4 n SER 140 N -2.41 3.21 -4.15 1.44 7.64 -1.26 -4.78 113.62 113.30 1iv4 n SER 140 Ca 0.02 -3.44 -0.13 0.00 1.01 0.00 0.00 58.87 56.33 1iv4 n SER 140 Cb 0.24 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 1iv4 n SER 140 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1iv4 s HIS 141 N -3.08 0.94 -0.12 1.43 3.76 -1.04 0.61 115.29 117.79 1iv4 s HIS 141 Ca 0.45 -0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1iv4 s HIS 141 Cb 0.39 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.52 1iv4 s HIS 141 CO 0.05 -0.06 -0.05 0.54 -0.85 0.00 0.00 174.74 174.37 1iv4 s VAL 142 N -2.64 3.82 0.05 -0.90 0.11 -0.08 -4.58 120.40 116.18 1iv4 s VAL 142 Ca 0.05 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 1iv4 s VAL 142 Cb -0.01 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1iv4 s VAL 142 CO -0.01 0.54 -0.18 -1.10 -3.33 0.00 0.00 175.10 171.02 1iv4 s GLN 143 N -0.14 1.13 -0.00 1.54 -0.21 -0.09 -0.81 119.66 121.08 1iv4 s GLN 143 Ca 0.02 -0.90 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1iv4 s GLN 143 Cb -0.13 -1.22 -0.00 0.00 1.00 0.00 0.00 33.01 32.66 1iv4 s GLN 143 CO 0.03 0.30 -0.03 0.00 -2.12 0.00 0.00 175.29 173.47 1iv4 s ALA 144 N -0.90 0.28 -0.03 6.09 0.00 -0.07 -0.01 121.76 127.10 1iv4 s ALA 144 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1iv4 s ALA 144 Cb -0.09 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1iv4 s ALA 144 CO 0.02 0.07 -0.08 1.03 0.00 0.00 0.00 175.76 176.80 1iv4 s ARG 145 N -0.08 0.97 -0.00 0.00 0.52 -0.79 -1.26 118.95 118.30 1iv4 s ARG 145 Ca 0.01 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1iv4 s ARG 145 Cb -0.01 -0.90 0.00 0.00 0.52 0.00 0.00 34.95 34.56 1iv4 s ARG 145 CO -0.00 0.06 -0.01 0.00 0.02 0.00 0.00 175.30 175.37 1iv4 s ALA 146 N 0.39 0.13 -0.06 2.13 0.00 0.27 -0.77 121.76 123.85 1iv4 s ALA 146 Ca -0.06 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1iv4 s ALA 146 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1iv4 s ALA 146 CO 0.01 0.02 -0.21 0.08 0.00 0.00 0.00 175.76 175.66 1iv4 s VAL 147 N 0.07 2.47 0.16 0.00 1.01 0.22 -1.13 120.40 123.19 1iv4 s VAL 147 Ca -0.00 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.15 1iv4 s VAL 147 Cb -0.02 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1iv4 s VAL 147 CO -0.00 0.57 -0.21 0.68 0.00 0.00 0.00 175.10 176.14 1iv4 s VAL 148 N -0.36 2.58 -0.05 2.92 -7.23 -0.18 -1.01 120.40 117.08 1iv4 s VAL 148 Ca 0.03 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1iv4 s VAL 148 Cb -0.12 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1iv4 s VAL 148 CO 0.02 -0.03 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.42 1iv4 s LEU 149 N -2.46 1.81 0.02 1.32 2.96 -0.39 -1.71 118.68 120.23 1iv4 s LEU 149 Ca 0.19 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1iv4 s LEU 149 Cb -0.09 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1iv4 s LEU 149 CO 0.10 0.10 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.40 1iv4 s LEU 150 N 0.27 2.15 0.00 -0.68 1.02 0.36 -0.83 118.68 120.97 1iv4 s LEU 150 Ca -0.07 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1iv4 s LEU 150 Cb -0.12 -0.21 0.00 0.00 0.02 0.00 0.00 46.19 45.87 1iv4 s LEU 150 CO 0.02 -0.09 0.00 0.47 0.02 0.00 0.00 176.35 176.78