#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6p s GLU 2 N 0.00 3.32 0.80 3.17 2.02 -1.26 -4.88 118.70 121.87 3i6p s GLU 2 Ca 0.00 1.83 -0.11 0.00 0.02 0.00 0.00 54.97 56.71 3i6p s GLU 2 Cb 0.00 -2.14 0.07 0.00 0.10 0.00 0.00 34.13 32.16 3i6p s GLU 2 CO 0.00 -0.92 1.09 0.00 0.02 0.00 0.00 175.26 175.45 3i6p s ALA 3 N -1.57 2.11 -0.08 5.21 0.00 0.27 -4.56 121.76 123.12 3i6p s ALA 3 Ca 0.71 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.93 3i6p s ALA 3 Cb -0.30 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3i6p s ALA 3 CO 0.34 -1.90 -0.22 -1.17 0.00 0.00 0.00 175.76 172.82 3i6p s LEU 4 N -5.99 2.01 -0.01 0.00 2.96 0.58 -2.43 118.68 115.79 3i6p s LEU 4 Ca 0.62 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 3i6p s LEU 4 Cb -0.17 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3i6p s LEU 4 CO 0.56 0.15 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.73 3i6p s GLY 5 N 0.29 1.47 -0.01 7.98 0.00 0.20 0.04 107.32 117.30 3i6p s GLY 5 Ca -0.15 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3i6p s GLY 5 CO 0.07 -0.92 -0.04 1.06 0.00 0.00 0.00 173.10 173.27 3i6p s MET 6 N -0.95 0.37 -0.05 2.90 1.00 -0.08 -0.32 119.30 122.17 3i6p s MET 6 Ca 0.12 -0.13 0.06 0.00 0.00 0.00 0.00 55.69 55.74 3i6p s MET 6 Cb -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 34.83 34.34 3i6p s MET 6 CO 0.02 0.06 -0.24 0.42 0.00 0.00 0.00 175.02 175.28 3i6p s ILE 7 N 0.06 1.98 -0.10 2.53 1.01 -0.83 -1.49 121.20 124.36 3i6p s ILE 7 Ca -0.00 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.65 3i6p s ILE 7 Cb -0.04 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3i6p s ILE 7 CO -0.00 0.55 -0.22 -0.70 0.00 0.00 0.00 174.94 174.57 3i6p s GLU 8 N -0.17 2.79 0.22 2.79 2.12 0.38 -1.06 118.70 125.78 3i6p s GLU 8 Ca -0.03 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.59 3i6p s GLU 8 Cb -0.13 -2.14 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 3i6p s GLU 8 CO 0.03 0.13 -0.13 0.95 -0.54 0.00 0.00 175.26 175.71 3i6p s THR 9 N 0.44 1.73 -0.56 -1.70 -4.23 0.14 0.09 115.64 111.56 3i6p s THR 9 Ca -0.17 -2.20 -0.13 0.00 -1.18 0.00 0.00 61.69 58.01 3i6p s THR 9 Cb -0.17 -2.14 0.14 0.00 1.34 0.00 0.00 72.50 71.66 3i6p s THR 9 CO 0.07 -0.52 0.48 -0.60 -0.54 0.00 0.00 174.62 173.51 3i6p s ARG 10 N -3.66 2.88 0.00 3.99 3.52 0.02 -0.99 118.95 124.71 3i6p s ARG 10 Ca 0.24 -1.87 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 3i6p s ARG 10 Cb 0.00 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 3i6p s ARG 10 CO 0.08 -1.27 0.00 0.41 -0.81 0.00 0.00 175.30 173.71 3i6p n GLY 11 N 4.88 3.93 0.25 8.12 0.00 -0.47 -4.16 105.19 117.75 3i6p n GLY 11 Ca -0.07 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 3i6p n GLY 11 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i6p h LEU 12 N 0.00 0.98 -0.66 0.99 5.85 -1.90 -3.24 115.31 117.32 3i6p h LEU 12 Ca 0.00 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.24 3i6p h LEU 12 Cb 0.00 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 3i6p h LEU 12 CO 0.00 1.32 0.39 0.58 -0.34 0.00 0.00 178.44 180.40 3i6p h VAL 13 N 0.68 1.03 -0.54 1.05 2.07 -1.99 0.25 116.25 118.81 3i6p h VAL 13 Ca 0.02 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.34 3i6p h VAL 13 Cb 1.15 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3i6p h VAL 13 CO 0.12 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.21 3i6p h ALA 14 N 1.31 1.90 0.16 1.67 0.00 -1.88 -1.61 119.26 120.81 3i6p h ALA 14 Ca 0.28 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.87 3i6p h ALA 14 Cb 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.80 3i6p h ALA 14 CO -0.14 -0.00 -1.30 1.25 0.00 0.00 0.00 179.25 179.06 3i6p h LEU 15 N 0.47 0.80 -0.82 0.00 5.85 -0.66 -0.38 115.31 120.56 3i6p h LEU 15 Ca 0.24 -0.78 -0.04 0.00 0.84 0.00 0.00 57.88 58.14 3i6p h LEU 15 Cb 0.33 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3i6p h LEU 15 CO -0.06 1.59 0.36 0.40 -0.34 0.00 0.00 178.44 180.39 3i6p h ILE 16 N 0.21 1.26 -0.52 4.05 2.04 -0.50 0.26 117.51 124.30 3i6p h ILE 16 Ca -0.20 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 3i6p h ILE 16 Cb 1.98 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3i6p h ILE 16 CO 0.24 0.32 -0.02 -0.08 0.00 0.00 0.00 178.15 178.62 3i6p h GLU 17 N 1.17 0.93 -0.44 2.37 4.57 -1.28 -1.93 114.58 119.98 3i6p h GLU 17 Ca 0.28 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3i6p h GLU 17 Cb 0.16 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3i6p h GLU 17 CO -0.03 0.96 0.29 0.00 -1.18 0.00 0.00 179.01 179.05 3i6p h ALA 18 N 0.94 0.56 -0.61 2.92 0.00 -0.60 -1.69 119.26 120.78 3i6p h ALA 18 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i6p h ALA 18 Cb 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3i6p h ALA 18 CO 0.03 0.01 0.39 0.77 0.00 0.00 0.00 179.25 180.45 3i6p h SER 19 N 0.60 0.71 -0.42 0.00 0.02 -0.44 0.79 113.55 114.81 3i6p h SER 19 Ca 0.16 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3i6p h SER 19 Cb -0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3i6p h SER 19 CO -0.03 0.54 0.23 -0.78 -1.14 0.00 0.00 176.83 175.64 3i6p h ASP 20 N 0.82 0.52 -0.22 3.07 3.58 -1.17 -2.07 116.42 120.94 3i6p h ASP 20 Ca 0.22 -0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.48 3i6p h ASP 20 Cb -0.06 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 3i6p h ASP 20 CO -0.04 0.45 -0.22 0.00 -2.88 0.00 0.00 179.24 176.55 3i6p h ALA 21 N 1.09 0.96 0.46 -0.78 0.00 -1.10 -2.48 119.26 117.40 3i6p h ALA 21 Ca 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3i6p h ALA 21 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i6p h ALA 21 CO -0.02 0.61 -0.22 0.52 0.00 0.00 0.00 179.25 180.13 3i6p h MET 22 N 0.60 -0.59 0.00 0.00 2.86 -0.64 -1.38 114.93 115.78 3i6p h MET 22 Ca 0.09 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3i6p h MET 22 Cb 0.70 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3i6p h MET 22 CO 0.05 -0.35 0.00 -0.39 1.06 0.00 0.00 176.91 177.28 3i6p h VAL 23 N -0.69 0.00 0.00 -2.22 -1.51 -1.33 -1.53 116.25 108.97 3i6p h VAL 23 Ca -0.06 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3i6p h VAL 23 Cb 0.51 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3i6p h VAL 23 CO 0.10 0.00 -0.80 0.29 -1.23 0.00 0.00 177.57 175.93 3i6p n LYS 24 N -3.07 0.35 0.09 5.19 5.02 -0.94 -4.31 118.16 120.49 3i6p n LYS 24 Ca -0.00 0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.41 3i6p n LYS 24 Cb 0.26 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 3i6p n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6p h ALA 25 N 2.42 0.63 -2.73 7.82 0.00 -0.17 -3.49 119.26 123.75 3i6p h ALA 25 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 54.91 54.57 3i6p h ALA 25 Cb 0.79 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3i6p h ALA 25 CO 0.00 0.52 0.34 0.00 0.00 0.00 0.00 179.25 180.10 3i6p s ALA 26 N -3.09 -1.39 -1.31 0.00 0.00 -1.19 -4.70 121.76 110.08 3i6p s ALA 26 Ca -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 3i6p s ALA 26 Cb 0.08 0.76 0.03 0.00 0.00 0.00 0.00 23.12 24.00 3i6p s ALA 26 CO 0.78 -1.04 1.92 -2.13 0.00 0.00 0.00 175.76 175.29 3i6p n ARG 27 N -0.47 2.86 -4.36 0.00 3.00 -1.26 -4.69 116.66 111.75 3i6p n ARG 27 Ca -0.05 -2.92 -0.24 0.00 -0.00 0.00 0.00 57.85 54.63 3i6p n ARG 27 Cb 0.60 -3.42 -0.13 0.00 0.00 0.00 0.00 32.46 29.50 3i6p n ARG 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3i6p s VAL 28 N 4.54 1.73 -0.18 5.15 -7.23 -1.26 -4.47 120.40 118.68 3i6p s VAL 28 Ca 0.53 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 59.10 3i6p s VAL 28 Cb 0.07 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 3i6p s VAL 28 CO 0.03 -0.00 0.21 -0.75 -0.31 0.00 0.00 175.10 174.28 3i6p s LYS 29 N -1.78 4.21 -0.60 4.82 2.47 -0.05 -4.77 119.74 124.04 3i6p s LYS 29 Ca 0.07 -0.06 -0.28 0.00 -1.56 0.00 0.00 55.97 54.14 3i6p s LYS 29 Cb -0.10 -3.42 0.02 0.00 -1.46 0.00 0.00 37.83 32.88 3i6p s LYS 29 CO 0.04 0.28 1.31 -1.17 0.16 0.00 0.00 175.35 175.97 3i6p s LEU 30 N 0.38 3.38 -0.02 5.43 2.96 -1.26 -1.32 118.68 128.23 3i6p s LEU 30 Ca 0.12 0.09 0.19 0.00 -0.22 0.00 0.00 54.13 54.32 3i6p s LEU 30 Cb -0.12 -3.01 -0.27 0.00 0.50 0.00 0.00 46.19 43.29 3i6p s LEU 30 CO 0.01 -1.65 0.53 1.33 -1.32 0.00 0.00 176.35 175.24 3i6p n VAL 31 N 6.71 0.00 -3.56 1.68 0.24 -0.13 -5.01 118.33 118.26 3i6p n VAL 31 Ca 0.09 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.34 62.01 3i6p n VAL 31 Cb 0.49 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 3i6p n VAL 31 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i6p s GLY 32 N -3.77 -0.35 -0.02 7.63 0.00 -1.11 -4.80 107.32 104.90 3i6p s GLY 32 Ca -0.03 1.41 -0.01 0.00 0.00 0.00 0.00 44.72 46.09 3i6p s GLY 32 CO 0.78 0.48 0.03 0.14 0.00 0.00 0.00 173.10 174.54 3i6p s VAL 33 N -2.63 -0.02 -0.05 1.40 1.01 -1.26 0.27 120.40 119.13 3i6p s VAL 33 Ca 0.07 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3i6p s VAL 33 Cb -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.33 3i6p s VAL 33 CO -0.06 0.03 -0.03 -0.75 0.00 0.00 0.00 175.10 174.29 3i6p s LYS 34 N 0.39 0.69 -0.13 2.72 2.20 0.11 -4.97 119.74 120.75 3i6p s LYS 34 Ca -0.03 -0.03 -0.06 0.00 -0.36 0.00 0.00 55.97 55.48 3i6p s LYS 34 Cb -0.05 -0.79 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 3i6p s LYS 34 CO -0.01 -0.13 0.09 1.14 -0.36 0.00 0.00 175.35 176.08 3i6p s GLN 35 N 1.11 3.46 -0.03 4.03 -2.07 -1.26 -1.16 119.66 123.74 3i6p s GLN 35 Ca -0.08 -0.23 0.04 0.00 -1.82 0.00 0.00 55.36 53.26 3i6p s GLN 35 Cb -0.14 -3.11 0.06 0.00 -1.09 0.00 0.00 33.01 28.73 3i6p s GLN 35 CO -0.01 0.65 0.95 0.44 -1.32 0.00 0.00 175.29 176.00 3i6p n ILE 36 N 2.35 0.96 0.00 3.63 -5.35 -0.86 -5.03 119.36 115.06 3i6p n ILE 36 Ca -0.19 -1.04 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 3i6p n ILE 36 Cb 0.54 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 3i6p n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i6p n GLY 37 N -0.59 -1.23 2.30 3.28 0.00 -1.26 -4.92 105.19 102.78 3i6p n GLY 37 Ca 0.03 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.44 3i6p n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6p n GLY 38 N -1.50 0.39 2.06 -0.02 0.00 -1.26 -2.22 105.19 102.63 3i6p n GLY 38 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i6p n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6p n GLY 39 N -1.80 0.70 3.72 -0.02 0.00 -1.26 -4.99 105.19 101.53 3i6p n GLY 39 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3i6p n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6p s LEU 40 N 0.00 4.23 0.03 0.99 1.43 -0.94 -1.37 118.68 123.04 3i6p s LEU 40 Ca 0.00 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3i6p s LEU 40 Cb 0.00 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 3i6p s LEU 40 CO 0.00 0.06 -0.03 0.00 0.23 0.00 0.00 176.35 176.61 3i6p s THR 42 N -1.93 0.62 -0.04 0.00 2.01 -0.31 -0.69 115.64 115.30 3i6p s THR 42 Ca -0.12 -0.29 0.06 0.00 0.31 0.00 0.00 61.69 61.65 3i6p s THR 42 Cb -0.07 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3i6p s THR 42 CO -0.03 0.19 -0.20 0.00 -0.69 0.00 0.00 174.62 173.89 3i6p s ALA 43 N 0.12 2.39 -0.09 7.40 0.00 -0.22 0.03 121.76 131.39 3i6p s ALA 43 Ca -0.01 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3i6p s ALA 43 Cb -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3i6p s ALA 43 CO -0.00 0.52 -0.20 -1.64 0.00 0.00 0.00 175.76 174.43 3i6p s MET 44 N -0.57 2.63 0.12 0.00 -1.94 0.14 -1.97 119.30 117.71 3i6p s MET 44 Ca 0.08 -0.73 0.08 0.00 -1.71 0.00 0.00 55.69 53.41 3i6p s MET 44 Cb -0.11 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.67 3i6p s MET 44 CO 0.00 0.13 -0.20 0.14 -0.01 0.00 0.00 175.02 175.08 3i6p s VAL 45 N 0.45 1.74 -0.02 -6.03 -7.23 0.56 -0.96 120.40 108.90 3i6p s VAL 45 Ca -0.17 -1.65 0.07 0.00 -1.81 0.00 0.00 61.98 58.41 3i6p s VAL 45 Cb -0.17 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3i6p s VAL 45 CO 0.07 -0.13 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.38 3i6p s ARG 46 N -2.16 1.85 0.00 4.82 1.81 -0.43 -0.63 118.95 124.21 3i6p s ARG 46 Ca 0.09 -0.79 0.00 0.00 -1.72 0.00 0.00 55.73 53.31 3i6p s ARG 46 Cb -0.09 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 3i6p s ARG 46 CO 0.05 0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 3i6p n GLY 47 N 2.60 1.17 3.80 -3.53 0.00 -1.02 -0.87 105.19 107.34 3i6p n GLY 47 Ca -0.16 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3i6p n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i6p s ASP 48 N 1.34 4.32 0.15 1.61 1.47 -1.26 0.94 116.67 125.24 3i6p s ASP 48 Ca 0.00 1.24 -0.15 0.00 1.18 0.00 0.00 52.55 54.82 3i6p s ASP 48 Cb 0.00 -1.94 0.03 0.00 -0.34 0.00 0.00 42.92 40.67 3i6p s ASP 48 CO 0.00 -2.07 1.74 0.58 0.68 0.00 0.00 175.17 176.10 3i6p h VAL 49 N -1.16 1.18 -0.68 2.11 2.07 -1.92 -1.29 116.25 116.56 3i6p h VAL 49 Ca -0.48 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 3i6p h VAL 49 Cb 1.28 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3i6p h VAL 49 CO 0.60 0.20 0.24 0.00 0.02 0.00 0.00 177.57 178.63 3i6p h ALA 50 N 1.08 1.13 -0.37 1.67 0.00 -1.99 -1.62 119.26 119.16 3i6p h ALA 50 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i6p h ALA 50 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i6p h ALA 50 CO -0.02 0.61 0.19 0.00 0.00 0.00 0.00 179.25 180.02 3i6p h ALA 51 N 1.26 0.47 -0.19 0.00 0.00 -1.81 -2.30 119.26 116.69 3i6p h ALA 51 Ca 0.23 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3i6p h ALA 51 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i6p h ALA 51 CO -0.01 0.02 -0.35 0.00 0.00 0.00 0.00 179.25 178.90 3i6p h LYS 53 N 0.35 0.27 -0.26 0.00 3.64 -1.27 0.18 116.57 119.48 3i6p h LYS 53 Ca 0.04 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3i6p h LYS 53 Cb 0.79 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3i6p h LYS 53 CO 0.06 0.51 -0.05 0.00 -2.27 0.00 0.00 179.45 177.70 3i6p h ALA 54 N 0.75 0.36 0.22 5.00 0.00 -1.29 -0.83 119.26 123.47 3i6p h ALA 54 Ca 0.04 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3i6p h ALA 54 Cb 0.40 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3i6p h ALA 54 CO 0.01 0.16 -0.38 0.00 0.00 0.00 0.00 179.25 179.04 3i6p h ALA 55 N 0.78 -0.72 -0.19 0.00 0.00 -0.55 -1.89 119.26 116.69 3i6p h ALA 55 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3i6p h ALA 55 Cb 0.52 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3i6p h ALA 55 CO 0.02 -0.96 -0.19 1.79 0.00 0.00 0.00 179.25 179.91 3i6p h THR 56 N -0.67 1.22 -0.52 0.00 1.35 -0.67 -1.13 112.91 112.50 3i6p h THR 56 Ca 0.01 -1.02 -0.04 0.00 -0.55 0.00 0.00 66.41 64.80 3i6p h THR 56 Cb 0.66 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 3i6p h THR 56 CO -0.16 0.32 0.17 0.44 -0.25 0.00 0.00 175.52 176.03 3i6p h ASP 57 N 0.30 0.76 0.02 5.36 5.19 -1.00 0.03 116.42 127.08 3i6p h ASP 57 Ca 0.05 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3i6p h ASP 57 Cb 0.51 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3i6p h ASP 57 CO 0.03 0.76 -0.01 0.00 -3.12 0.00 0.00 179.24 176.90 3i6p h ALA 58 N 1.03 -0.03 -0.66 3.45 0.00 -1.12 -3.01 119.26 118.92 3i6p h ALA 58 Ca 0.17 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3i6p h ALA 58 Cb 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3i6p h ALA 58 CO -0.01 -0.34 0.24 0.78 0.00 0.00 0.00 179.25 179.92 3i6p h GLY 59 N -0.39 0.94 0.63 0.00 0.00 -1.16 0.09 103.07 103.19 3i6p h GLY 59 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.22 3i6p h GLY 59 CO 0.01 -0.05 -0.27 0.00 0.00 0.00 0.00 176.54 176.23 3i6p h ALA 60 N 1.47 -0.51 -0.65 3.60 0.00 -1.00 0.11 119.26 122.27 3i6p h ALA 60 Ca 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3i6p h ALA 60 Cb 0.47 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3i6p h ALA 60 CO -0.35 -0.83 0.26 0.00 0.00 0.00 0.00 179.25 178.33 3i6p h ALA 61 N 0.14 0.85 -0.37 0.00 0.00 -1.39 -0.60 119.26 117.90 3i6p h ALA 61 Ca 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3i6p h ALA 61 Cb 0.51 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3i6p h ALA 61 CO -0.10 0.47 -0.05 0.00 0.00 0.00 0.00 179.25 179.58 3i6p h ALA 62 N 1.11 0.29 -0.40 0.00 0.00 -0.82 -2.72 119.26 116.73 3i6p h ALA 62 Ca 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3i6p h ALA 62 Cb 0.21 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i6p h ALA 62 CO -0.02 -0.43 0.11 0.00 0.00 0.00 0.00 179.25 178.92 3i6p h ALA 63 N 1.35 0.52 -0.49 0.00 0.00 -0.12 -2.90 119.26 117.62 3i6p h ALA 63 Ca 0.18 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3i6p h ALA 63 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3i6p h ALA 63 CO -0.34 0.18 0.34 1.96 0.00 0.00 0.00 179.25 181.39 3i6p h GLN 64 N 0.50 0.19 -0.29 0.00 4.20 -1.04 0.04 115.11 118.71 3i6p h GLN 64 Ca 0.13 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3i6p h GLN 64 Cb 0.28 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3i6p h GLN 64 CO -0.00 0.13 -0.13 0.00 -0.67 0.00 0.00 178.83 178.15 3i6p h ARG 65 N 0.20 0.51 -0.00 1.46 3.08 -1.26 -3.34 114.38 115.01 3i6p h ARG 65 Ca 0.23 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3i6p h ARG 65 Cb 0.64 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3i6p h ARG 65 CO -0.04 0.63 -0.15 0.44 -1.07 0.00 0.00 179.97 179.79 3i6p n ILE 66 N -4.19 0.00 -1.42 2.04 -5.35 -0.79 -5.10 119.36 104.55 3i6p n ILE 66 Ca 0.01 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3i6p n ILE 66 Cb 0.33 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 3i6p n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i6p n GLY 67 N 0.94 2.87 3.30 3.28 0.00 -0.07 -4.83 105.19 110.69 3i6p n GLY 67 Ca 0.01 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 3i6p n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i6p s GLU 68 N 1.76 2.82 0.18 1.61 2.12 -1.26 -4.43 118.70 121.50 3i6p s GLU 68 Ca 0.00 -1.04 -0.29 0.00 0.36 0.00 0.00 54.97 54.00 3i6p s GLU 68 Cb 0.00 -3.42 -0.08 0.00 0.26 0.00 0.00 34.13 30.90 3i6p s GLU 68 CO 0.00 -0.57 0.92 -1.17 -0.54 0.00 0.00 175.26 173.90 3i6p s LEU 69 N 1.44 4.58 -0.11 2.70 2.96 -1.26 -0.80 118.68 128.19 3i6p s LEU 69 Ca 0.00 1.84 -0.03 0.00 -0.22 0.00 0.00 54.13 55.72 3i6p s LEU 69 Cb -0.18 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 3i6p s LEU 69 CO 0.03 0.08 -0.12 0.52 -1.32 0.00 0.00 176.35 175.53 3i6p n VAL 70 N 2.02 0.61 -3.64 1.68 0.31 0.11 -4.85 118.33 114.58 3i6p n VAL 70 Ca -0.01 -0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.00 3i6p n VAL 70 Cb 0.48 -1.30 -0.06 0.00 -0.91 0.00 0.00 33.84 32.05 3i6p n VAL 70 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i6p s SER 71 N -5.57 -0.32 -0.11 4.52 0.01 -0.62 -4.97 113.70 106.65 3i6p s SER 71 Ca -0.15 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.05 3i6p s SER 71 Cb 0.05 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.77 3i6p s SER 71 CO 0.22 -0.70 0.26 0.54 0.41 0.00 0.00 173.24 173.97 3i6p s VAL 72 N -2.61 -0.02 -0.21 3.43 0.11 -1.26 -0.47 120.40 119.37 3i6p s VAL 72 Ca -0.04 0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 3i6p s VAL 72 Cb -0.01 -0.39 0.09 0.00 -1.53 0.00 0.00 36.38 34.54 3i6p s VAL 72 CO -0.03 0.04 0.82 -2.28 -3.33 0.00 0.00 175.10 170.31 3i6p s HIS 73 N 0.85 -0.63 -0.10 1.54 2.46 -0.56 -5.02 115.29 113.83 3i6p s HIS 73 Ca -0.06 1.40 0.04 0.00 0.47 0.00 0.00 55.06 56.91 3i6p s HIS 73 Cb -0.07 0.35 -0.00 0.00 -0.13 0.00 0.00 32.58 32.72 3i6p s HIS 73 CO -0.06 -0.39 -0.23 0.08 -2.47 0.00 0.00 174.74 171.67 3i6p s VAL 74 N -0.21 2.20 -0.32 0.89 1.01 -1.26 -0.90 120.40 121.80 3i6p s VAL 74 Ca -0.02 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3i6p s VAL 74 Cb -0.03 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.53 3i6p s VAL 74 CO 0.02 0.56 0.09 -0.63 0.00 0.00 0.00 175.10 175.13 3i6p s ILE 75 N 0.25 3.77 0.17 2.22 1.01 0.11 -5.00 121.20 123.73 3i6p s ILE 75 Ca -0.15 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 3i6p s ILE 75 Cb -0.17 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.27 3i6p s ILE 75 CO 0.08 -0.09 1.61 -0.65 0.00 0.00 0.00 174.94 175.88 3i6p h PRO 76 N 8.21 1.06 -2.35 2.79 0.11 -1.94 0.16 132.00 140.05 3i6p h PRO 76 Ca -0.26 -0.38 -0.59 0.00 0.11 0.00 0.00 66.00 64.88 3i6p h PRO 76 Cb 1.09 -0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.72 3i6p h PRO 76 CO 0.60 1.08 -0.74 0.54 -0.21 0.00 0.00 178.00 179.27 3i6p n ARG 77 N -4.15 1.77 -2.35 1.05 1.74 -1.26 -3.47 116.66 110.00 3i6p n ARG 77 Ca 0.02 -4.18 -0.40 0.00 -0.77 0.00 0.00 57.85 52.52 3i6p n ARG 77 Cb 0.39 -1.98 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 3i6p n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i6p s PRO 78 N -1.76 4.41 0.53 5.56 0.04 -1.26 -4.96 135.00 137.56 3i6p s PRO 78 Ca 0.35 1.90 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 3i6p s PRO 78 Cb 0.11 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 3i6p s PRO 78 CO -0.08 -0.03 1.25 -1.58 0.04 0.00 0.00 177.00 176.60 3i6p s HIS 79 N -1.24 2.51 0.32 0.56 2.46 -1.26 -4.94 115.29 113.70 3i6p s HIS 79 Ca 0.49 1.47 0.01 0.00 0.47 0.00 0.00 55.06 57.50 3i6p s HIS 79 Cb -0.33 -3.57 0.52 0.00 -0.13 0.00 0.00 32.58 29.07 3i6p s HIS 79 CO 0.43 -2.24 1.91 0.78 -2.47 0.00 0.00 174.74 173.15 3i6p h GLY 80 N 1.50 0.87 1.08 1.59 0.00 -2.04 -2.81 103.07 103.27 3i6p h GLY 80 Ca -0.50 -0.42 0.12 0.00 0.00 0.00 0.00 47.33 46.53 3i6p h GLY 80 CO 0.58 0.40 0.35 -0.55 0.00 0.00 0.00 176.54 177.31 3i6p h ASP 81 N 0.81 0.13 -0.38 0.19 5.19 -2.03 -2.73 116.42 117.59 3i6p h ASP 81 Ca 0.20 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.66 3i6p h ASP 81 Cb 0.12 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 3i6p h ASP 81 CO -0.02 0.07 0.26 -0.07 -3.12 0.00 0.00 179.24 176.36 3i6p h LEU 82 N 0.14 0.26 -1.78 1.55 4.07 -1.88 -2.47 115.31 115.20 3i6p h LEU 82 Ca 0.24 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 3i6p h LEU 82 Cb 0.75 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3i6p h LEU 82 CO -0.03 0.17 -0.15 -0.08 -1.08 0.00 0.00 178.44 177.28 3i6p h GLU 83 N 0.30 0.00 0.00 1.13 4.81 -1.67 -0.44 114.58 118.70 3i6p h GLU 83 Ca 0.17 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 3i6p h GLU 83 Cb 0.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3i6p h GLU 83 CO -0.04 0.15 -0.65 0.93 -0.73 0.00 0.00 179.01 178.68 3i6p h GLU 84 N 0.00 0.00 0.00 1.92 5.08 -1.63 -3.36 114.58 116.59 3i6p h GLU 84 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3i6p h GLU 84 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 3i6p h GLU 84 CO 0.02 0.65 -2.02 0.28 -1.00 0.00 0.00 179.01 176.94 3i6p n VAL 85 N -3.28 1.02 -4.38 3.13 0.31 -1.07 -5.02 118.33 109.03 3i6p n VAL 85 Ca 0.01 -0.61 -0.26 0.00 -0.01 0.00 0.00 64.34 63.47 3i6p n VAL 85 Cb 0.79 -0.64 -0.12 0.00 -0.91 0.00 0.00 33.84 32.95 3i6p n VAL 85 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3i6p s PHE 86 N -2.36 2.17 -1.28 3.52 0.40 -0.20 -5.05 117.98 115.18 3i6p s PHE 86 Ca -0.08 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 3i6p s PHE 86 Cb 0.05 -1.12 -0.06 0.00 0.51 0.00 0.00 43.02 42.39 3i6p s PHE 86 CO 0.59 0.39 2.45 -0.35 0.70 0.00 0.00 175.22 179.00 3i6p n PRO 87 N 0.57 2.80 -0.00 0.24 -0.04 -1.26 -4.37 135.00 132.94 3i6p n PRO 87 Ca -0.15 -2.01 0.05 0.00 -0.04 0.00 0.00 63.50 61.36 3i6p n PRO 87 Cb 0.55 -2.80 -0.07 0.00 -0.04 0.00 0.00 33.50 31.14 3i6p n PRO 87 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3i6p n ILE 88 N 4.33 0.00 -1.78 0.52 -5.35 -1.26 -3.81 119.36 112.01 3i6p n ILE 88 Ca 0.60 -0.25 -0.30 0.00 -0.27 0.00 0.00 62.75 62.53 3i6p n ILE 88 Cb 0.25 0.73 0.06 0.00 -1.74 0.00 0.00 39.64 38.94 3i6p n ILE 88 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i6p s GLY 89 N -2.46 1.63 0.00 3.28 0.00 -1.26 -4.85 107.32 103.66 3i6p s GLY 89 Ca 0.01 -0.30 0.25 0.00 0.00 0.00 0.00 44.72 44.68 3i6p s GLY 89 CO 0.45 0.09 1.42 1.04 0.00 0.00 0.00 173.10 176.10