#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 3.93 0.78 3.17 0.41 -1.26 -4.89 118.70 120.84 3i6p s GLU 2 Ca 0.00 1.57 -0.11 0.00 -0.41 0.00 0.00 54.97 56.02 3i6p s GLU 2 Cb 0.00 -2.39 0.06 0.00 -1.78 0.00 0.00 34.13 30.02 3i6p s GLU 2 CO 0.00 -0.35 1.09 0.00 -0.49 0.00 0.00 175.26 175.50 3i6p s ALA 3 N -1.69 2.24 -0.14 5.21 0.00 0.11 -4.38 121.76 123.10 3i6p s ALA 3 Ca 0.62 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.82 3i6p s ALA 3 Cb -0.23 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3i6p s ALA 3 CO 0.28 -1.77 -0.19 -1.17 0.00 0.00 0.00 175.76 172.91 3i6p s LEU 4 N -5.91 1.97 -0.01 0.00 2.96 -0.61 -2.50 118.68 114.57 3i6p s LEU 4 Ca 0.61 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3i6p s LEU 4 Cb -0.17 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3i6p s LEU 4 CO 0.56 0.03 0.04 -0.83 -1.32 0.00 0.00 176.35 174.83 3i6p s GLY 5 N 1.04 1.94 -0.06 7.98 0.00 0.10 -0.75 107.32 117.58 3i6p s GLY 5 Ca -0.03 -0.91 -0.18 0.00 0.00 0.00 0.00 44.72 43.61 3i6p s GLY 5 CO -0.05 -0.77 0.40 -3.16 0.00 0.00 0.00 173.10 169.52 3i6p s MET 6 N -1.61 0.69 0.01 2.90 0.23 -0.09 -0.27 119.30 121.16 3i6p s MET 6 Ca 0.21 0.09 0.05 0.00 -1.03 0.00 0.00 55.69 55.00 3i6p s MET 6 Cb -0.12 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 33.49 3i6p s MET 6 CO 0.12 -0.18 -0.14 0.42 -2.03 0.00 0.00 175.02 173.21 3i6p s ILE 7 N -0.90 1.11 -0.07 3.16 1.01 -0.67 -1.62 121.20 123.21 3i6p s ILE 7 Ca -0.10 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.87 3i6p s ILE 7 Cb -0.04 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3i6p s ILE 7 CO 0.04 0.22 -0.18 -0.70 0.00 0.00 0.00 174.94 174.32 3i6p s GLU 8 N -0.58 2.21 0.22 2.79 2.12 0.16 -0.63 118.70 125.00 3i6p s GLU 8 Ca 0.04 -0.66 0.09 0.00 0.36 0.00 0.00 54.97 54.81 3i6p s GLU 8 Cb -0.06 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.50 3i6p s GLU 8 CO 0.00 0.17 -0.17 0.95 -0.54 0.00 0.00 175.26 175.67 3i6p s THR 9 N 0.31 1.98 -0.80 -1.70 -4.23 0.24 0.52 115.64 111.96 3i6p s THR 9 Ca -0.12 -2.25 -0.15 0.00 -1.18 0.00 0.00 61.69 58.00 3i6p s THR 9 Cb -0.15 -2.11 0.19 0.00 1.34 0.00 0.00 72.50 71.78 3i6p s THR 9 CO 0.05 -0.51 0.79 -0.60 -0.54 0.00 0.00 174.62 173.81 3i6p s ARG 10 N -3.52 3.52 0.00 3.99 3.52 -0.52 -1.32 118.95 124.62 3i6p s ARG 10 Ca 0.24 -2.24 0.00 0.00 -0.13 0.00 0.00 55.73 53.61 3i6p s ARG 10 Cb -0.03 -4.48 0.00 0.00 -1.56 0.00 0.00 34.95 28.89 3i6p s ARG 10 CO 0.09 -1.38 0.00 0.41 -0.81 0.00 0.00 175.30 173.62 3i6p n GLY 11 N 4.37 4.04 0.14 8.12 0.00 -0.64 -4.31 105.19 116.92 3i6p n GLY 11 Ca 0.11 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 0.49 -0.34 0.99 5.85 -1.91 -3.06 115.31 117.34 3i6p h LEU 12 Ca 0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3i6p h LEU 12 Cb 0.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3i6p h LEU 12 CO 0.00 1.24 0.17 0.58 -0.34 0.00 0.00 178.44 180.10 3i6p h VAL 13 N 0.19 1.15 -0.75 1.05 2.07 -1.99 -0.95 116.25 117.02 3i6p h VAL 13 Ca -0.09 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3i6p h VAL 13 Cb 1.66 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3i6p h VAL 13 CO 0.17 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.41 3i6p h ALA 14 N 1.03 1.55 -0.27 1.67 0.00 -1.88 -1.74 119.26 119.62 3i6p h ALA 14 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3i6p h ALA 14 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6p h ALA 14 CO -0.02 0.38 -0.33 1.25 0.00 0.00 0.00 179.25 180.54 3i6p h LEU 15 N 0.93 0.59 -0.26 0.00 5.85 -1.29 0.06 115.31 121.19 3i6p h LEU 15 Ca 0.30 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3i6p h LEU 15 Cb 0.03 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3i6p h LEU 15 CO -0.08 0.88 -0.41 0.40 -0.34 0.00 0.00 178.44 178.89 3i6p h ILE 16 N 0.48 1.30 -0.55 4.05 2.04 -0.70 0.06 117.51 124.19 3i6p h ILE 16 Ca 0.06 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 3i6p h ILE 16 Cb 0.80 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3i6p h ILE 16 CO 0.07 0.51 0.28 -0.08 0.00 0.00 0.00 178.15 178.93 3i6p h GLU 17 N 0.47 0.78 -0.64 2.37 4.57 -1.26 -1.14 114.58 119.72 3i6p h GLU 17 Ca 0.02 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3i6p h GLU 17 Cb 1.00 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 3i6p h GLU 17 CO 0.09 0.62 0.42 0.00 -1.18 0.00 0.00 179.01 178.97 3i6p h ALA 18 N 1.12 0.81 -0.55 2.92 0.00 -0.93 -1.62 119.26 121.01 3i6p h ALA 18 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3i6p h ALA 18 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i6p h ALA 18 CO -0.03 0.24 -0.01 0.77 0.00 0.00 0.00 179.25 180.22 3i6p h SER 19 N 0.87 0.96 -0.44 0.00 0.02 -0.73 -0.01 113.55 114.22 3i6p h SER 19 Ca 0.24 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3i6p h SER 19 Cb -0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 3i6p h SER 19 CO -0.05 1.04 0.26 -0.78 -1.14 0.00 0.00 176.83 176.15 3i6p h ASP 20 N 0.86 0.54 -0.49 3.07 3.58 -1.06 -1.52 116.42 121.40 3i6p h ASP 20 Ca 0.15 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 3i6p h ASP 20 Cb 0.55 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3i6p h ASP 20 CO 0.03 0.45 0.09 0.00 -2.88 0.00 0.00 179.24 176.93 3i6p h ALA 21 N 1.11 1.13 0.62 -0.78 0.00 -0.97 -2.48 119.26 117.89 3i6p h ALA 21 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i6p h ALA 21 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i6p h ALA 21 CO -0.03 0.57 -0.33 0.52 0.00 0.00 0.00 179.25 179.99 3i6p h MET 22 N 0.82 -0.84 0.00 0.00 2.86 -0.58 -1.21 114.93 115.97 3i6p h MET 22 Ca 0.17 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3i6p h MET 22 Cb 0.37 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3i6p h MET 22 CO 0.01 -0.56 0.00 1.33 1.06 0.00 0.00 176.91 178.75 3i6p n VAL 23 N -5.48 0.78 0.81 -2.22 0.24 -0.61 -1.89 118.33 109.96 3i6p n VAL 23 Ca -0.13 0.15 0.11 0.00 -2.04 0.00 0.00 64.34 62.43 3i6p n VAL 23 Cb 0.37 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.74 3i6p n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i6p n LYS 24 N -1.92 0.13 -0.03 7.34 5.02 -0.94 -4.42 118.16 123.34 3i6p n LYS 24 Ca 0.03 -0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 3i6p n LYS 24 Cb 0.24 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 3i6p n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6p n ALA 25 N -1.64 1.24 -3.21 7.82 0.00 -0.47 -5.02 120.51 119.21 3i6p n ALA 25 Ca 0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 3i6p n ALA 25 Cb 0.38 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 3i6p n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6p s ALA 26 N -2.57 0.15 -1.21 0.00 0.00 -1.17 -4.76 121.76 112.19 3i6p s ALA 26 Ca -0.15 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 3i6p s ALA 26 Cb 0.07 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.22 3i6p s ALA 26 CO 0.78 -0.86 1.75 0.50 0.00 0.00 0.00 175.76 177.93 3i6p s ARG 27 N -3.01 3.55 0.17 0.00 3.52 -1.26 -4.69 118.95 117.23 3i6p s ARG 27 Ca 0.25 -1.61 0.07 0.00 -0.13 0.00 0.00 55.73 54.30 3i6p s ARG 27 Cb -0.02 -5.43 -0.04 0.00 -1.56 0.00 0.00 34.95 27.90 3i6p s ARG 27 CO 0.16 -2.67 -0.14 0.14 -0.81 0.00 0.00 175.30 171.98 3i6p s VAL 28 N 6.04 1.53 -0.15 7.11 -7.23 -1.26 -4.55 120.40 121.89 3i6p s VAL 28 Ca 0.57 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3i6p s VAL 28 Cb 0.02 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 3i6p s VAL 28 CO 0.06 -0.55 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.45 3i6p s LYS 29 N -3.32 3.42 -0.53 4.82 2.47 0.07 -4.86 119.74 121.81 3i6p s LYS 29 Ca 0.17 -0.65 -0.28 0.00 -1.56 0.00 0.00 55.97 53.65 3i6p s LYS 29 Cb -0.02 -2.74 0.01 0.00 -1.46 0.00 0.00 37.83 33.63 3i6p s LYS 29 CO 0.05 0.14 1.43 -1.17 0.16 0.00 0.00 175.35 175.96 3i6p s LEU 30 N 0.55 3.44 -0.17 5.43 2.96 -1.26 -1.03 118.68 128.60 3i6p s LEU 30 Ca -0.07 0.40 0.17 0.00 -0.22 0.00 0.00 54.13 54.42 3i6p s LEU 30 Cb -0.15 -3.14 -0.25 0.00 0.50 0.00 0.00 46.19 43.15 3i6p s LEU 30 CO 0.03 -1.67 0.12 1.33 -1.32 0.00 0.00 176.35 174.84 3i6p n VAL 31 N 6.92 1.13 -3.59 1.68 0.24 -0.02 -4.99 118.33 119.71 3i6p n VAL 31 Ca 0.13 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 3i6p n VAL 31 Cb 0.49 -0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 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 -5.21 -0.39 -0.05 7.63 0.00 -1.12 -4.91 107.32 103.28 3i6p s GLY 32 Ca -0.09 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.03 3i6p s GLY 32 CO 0.79 0.09 -0.09 0.14 0.00 0.00 0.00 173.10 174.03 3i6p s VAL 33 N -2.93 0.85 0.01 1.40 1.01 -1.26 -0.85 120.40 118.63 3i6p s VAL 33 Ca -0.03 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3i6p s VAL 33 Cb -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3i6p s VAL 33 CO -0.06 0.28 -0.16 -0.54 0.00 0.00 0.00 175.10 174.62 3i6p s LYS 34 N 0.57 1.22 -0.03 2.72 -0.14 -0.09 -4.97 119.74 119.01 3i6p s LYS 34 Ca -0.10 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 53.88 3i6p s LYS 34 Cb -0.13 -1.22 -0.02 0.00 -1.68 0.00 0.00 37.83 34.78 3i6p s LYS 34 CO 0.02 0.32 -0.20 -0.65 -0.76 0.00 0.00 175.35 174.08 3i6p s GLN 35 N -0.74 2.29 -0.02 1.68 -0.21 -1.26 -0.67 119.66 120.72 3i6p s GLN 35 Ca 0.05 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.64 3i6p s GLN 35 Cb -0.07 -2.20 0.04 0.00 1.00 0.00 0.00 33.01 31.78 3i6p s GLN 35 CO 0.00 0.59 0.87 0.44 -2.12 0.00 0.00 175.29 175.08 3i6p n ILE 36 N 2.33 0.74 0.00 1.08 -5.35 -0.99 -5.04 119.36 112.14 3i6p n ILE 36 Ca -0.17 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 3i6p n ILE 36 Cb 0.52 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.45 -0.75 2.67 3.28 0.00 -1.26 -4.93 105.19 103.76 3i6p n GLY 37 Ca 0.02 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.83 1.55 2.01 -0.02 0.00 -1.26 -2.34 105.19 104.31 3i6p n GLY 38 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.18 0.74 3.70 -0.02 0.00 -1.26 -4.99 105.19 103.17 3i6p n GLY 39 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 4.21 0.03 0.99 1.43 -0.99 -1.62 118.68 122.73 3i6p s LEU 40 Ca 0.00 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3i6p s LEU 40 Cb 0.00 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 3i6p s LEU 40 CO 0.00 -0.07 -0.05 0.00 0.23 0.00 0.00 176.35 176.47 3i6p s THR 42 N -1.29 1.09 -0.06 0.00 2.01 0.15 -0.59 115.64 116.96 3i6p s THR 42 Ca -0.12 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3i6p s THR 42 Cb -0.09 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 3i6p s THR 42 CO -0.00 0.34 -0.13 0.00 -0.69 0.00 0.00 174.62 174.14 3i6p s ALA 43 N 0.50 2.73 -0.10 7.40 0.00 0.20 -0.92 121.76 131.58 3i6p s ALA 43 Ca -0.11 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 50.92 3i6p s ALA 43 Cb -0.14 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.96 3i6p s ALA 43 CO 0.03 0.55 -0.19 -1.64 0.00 0.00 0.00 175.76 174.51 3i6p s MET 44 N -0.71 2.57 0.21 0.00 -1.94 -0.03 -1.68 119.30 117.71 3i6p s MET 44 Ca 0.11 -0.70 0.11 0.00 -1.71 0.00 0.00 55.69 53.50 3i6p s MET 44 Cb -0.11 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.64 3i6p s MET 44 CO 0.01 0.05 -0.23 0.14 -0.01 0.00 0.00 175.02 174.98 3i6p s VAL 45 N 0.66 2.35 0.09 -6.03 -7.23 0.63 -0.84 120.40 110.03 3i6p s VAL 45 Ca -0.13 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.04 3i6p s VAL 45 Cb -0.16 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3i6p s VAL 45 CO 0.03 -0.18 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.28 3i6p s ARG 46 N -2.83 1.39 0.00 4.82 1.81 -0.20 -0.72 118.95 123.22 3i6p s ARG 46 Ca 0.22 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 3i6p s ARG 46 Cb -0.07 -1.67 0.00 0.00 -0.45 0.00 0.00 34.95 32.75 3i6p s ARG 46 CO 0.11 0.41 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 3i6p n GLY 47 N 1.34 -1.21 3.83 -3.53 0.00 -1.04 -0.75 105.19 103.83 3i6p n GLY 47 Ca -0.18 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -4.00 4.33 0.11 1.61 3.84 -1.26 0.04 116.67 121.34 3i6p s ASP 48 Ca 0.00 1.09 -0.21 0.00 -0.00 0.00 0.00 52.55 53.42 3i6p s ASP 48 Cb 0.00 -1.74 -0.08 0.00 -1.38 0.00 0.00 42.92 39.72 3i6p s ASP 48 CO 0.00 -2.05 1.72 0.58 -0.00 0.00 0.00 175.17 175.42 3i6p h VAL 49 N -1.15 0.87 -1.00 2.11 2.07 -1.93 -1.08 116.25 116.14 3i6p h VAL 49 Ca -0.48 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.10 3i6p h VAL 49 Cb 1.30 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 3i6p h VAL 49 CO 0.62 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.86 3i6p h ALA 50 N 1.10 1.39 -0.01 1.67 0.00 -1.99 -1.10 119.26 120.32 3i6p h ALA 50 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i6p h ALA 50 Cb 0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i6p h ALA 50 CO -0.12 0.47 -0.00 0.00 0.00 0.00 0.00 179.25 179.60 3i6p h ALA 51 N 1.45 0.01 -0.19 0.00 0.00 -1.72 -1.57 119.26 117.24 3i6p h ALA 51 Ca 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3i6p h ALA 51 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i6p h ALA 51 CO -0.16 -0.32 0.08 0.00 0.00 0.00 0.00 179.25 178.86 3i6p h LYS 53 N 0.26 -0.07 -0.03 0.00 3.11 -1.14 -1.10 116.57 117.61 3i6p h LYS 53 Ca 0.07 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.93 3i6p h LYS 53 Cb 0.04 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 3i6p h LYS 53 CO -0.01 0.40 -0.06 0.00 -2.81 0.00 0.00 179.45 176.97 3i6p h ALA 54 N 0.34 -0.04 -0.03 5.00 0.00 -1.03 -0.36 119.26 123.14 3i6p h ALA 54 Ca -0.01 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i6p h ALA 54 Cb 0.50 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3i6p h ALA 54 CO 0.01 -0.55 -0.34 0.00 0.00 0.00 0.00 179.25 178.37 3i6p h ALA 55 N 0.92 -0.50 -0.24 0.00 0.00 -0.78 -1.84 119.26 116.82 3i6p h ALA 55 Ca 0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3i6p h ALA 55 Cb 0.15 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3i6p h ALA 55 CO -0.09 -0.86 -0.37 1.79 0.00 0.00 0.00 179.25 179.72 3i6p h THR 56 N -0.48 1.29 0.02 0.00 1.35 -1.09 0.13 112.91 114.12 3i6p h THR 56 Ca 0.06 -1.51 0.02 0.00 -0.55 0.00 0.00 66.41 64.43 3i6p h THR 56 Cb 0.58 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3i6p h THR 56 CO -0.30 0.48 -0.12 0.44 -0.25 0.00 0.00 175.52 175.77 3i6p h ASP 57 N 0.45 -0.35 -0.06 5.36 3.32 -0.96 -0.01 116.42 124.17 3i6p h ASP 57 Ca 0.04 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3i6p h ASP 57 Cb 0.85 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3i6p h ASP 57 CO 0.07 -0.18 -0.04 0.00 -1.72 0.00 0.00 179.24 177.38 3i6p h ALA 58 N 0.73 0.01 -0.91 3.45 0.00 -0.99 -2.57 119.26 118.98 3i6p h ALA 58 Ca 0.04 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3i6p h ALA 58 Cb 0.26 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3i6p h ALA 58 CO -0.11 -0.52 0.59 0.78 0.00 0.00 0.00 179.25 179.99 3i6p h GLY 59 N -0.04 1.33 1.03 0.00 0.00 -0.63 -1.46 103.07 103.29 3i6p h GLY 59 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3i6p h GLY 59 CO -0.08 0.23 -0.21 0.00 0.00 0.00 0.00 176.54 176.48 3i6p h ALA 60 N 1.54 0.55 -0.40 3.60 0.00 -0.70 0.51 119.26 124.36 3i6p h ALA 60 Ca 0.41 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i6p h ALA 60 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3i6p h ALA 60 CO -0.17 0.52 0.19 0.00 0.00 0.00 0.00 179.25 179.79 3i6p h ALA 61 N 0.81 0.52 -0.31 0.00 0.00 -1.32 -2.82 119.26 116.13 3i6p h ALA 61 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i6p h ALA 61 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i6p h ALA 61 CO 0.06 0.08 0.09 0.00 0.00 0.00 0.00 179.25 179.48 3i6p h ALA 62 N 1.04 0.41 -0.79 0.00 0.00 -1.08 -2.91 119.26 115.92 3i6p h ALA 62 Ca 0.14 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3i6p h ALA 62 Cb 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3i6p h ALA 62 CO -0.02 0.05 0.40 0.00 0.00 0.00 0.00 179.25 179.68 3i6p h ALA 63 N 0.92 1.13 -0.00 0.00 0.00 -0.90 -2.84 119.26 117.57 3i6p h ALA 63 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i6p h ALA 63 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i6p h ALA 63 CO -0.00 -0.05 -0.19 1.04 0.00 0.00 0.00 179.25 180.04 3i6p n GLN 64 N -4.86 0.43 0.19 0.00 6.02 -1.07 -0.43 117.38 117.67 3i6p n GLN 64 Ca 0.14 -0.17 0.07 0.00 -0.01 0.00 0.00 57.00 57.03 3i6p n GLN 64 Cb 0.35 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.40 3i6p n GLN 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i6p h ARG 65 N 0.42 0.00 0.00 -1.09 3.08 -1.31 -3.39 114.38 112.09 3i6p h ARG 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i6p h ARG 65 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i6p h ARG 65 CO 0.00 0.34 -0.27 0.44 -1.07 0.00 0.00 179.97 179.41 3i6p n ILE 66 N -3.37 0.00 -2.29 2.04 -5.35 -0.97 -5.12 119.36 104.30 3i6p n ILE 66 Ca 0.01 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3i6p n ILE 66 Cb 0.54 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 1.04 2.85 3.56 3.28 0.00 0.43 -4.87 105.19 111.48 3i6p n GLY 67 Ca 0.00 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 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 0.24 3.89 -0.08 1.61 2.12 -1.26 -4.10 118.70 121.12 3i6p s GLU 68 Ca 0.00 -0.36 -0.23 0.00 0.36 0.00 0.00 54.97 54.75 3i6p s GLU 68 Cb 0.00 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3i6p s GLU 68 CO 0.00 -0.12 0.67 -1.17 -0.54 0.00 0.00 175.26 174.10 3i6p s LEU 69 N 1.54 4.30 -0.25 2.70 2.96 -1.26 -1.44 118.68 127.22 3i6p s LEU 69 Ca 0.07 1.11 -0.15 0.00 -0.22 0.00 0.00 54.13 54.94 3i6p s LEU 69 Cb -0.15 -3.02 -0.15 0.00 0.50 0.00 0.00 46.19 43.37 3i6p s LEU 69 CO 0.08 -0.12 -0.16 1.33 -1.32 0.00 0.00 176.35 176.16 3i6p n VAL 70 N 3.85 1.54 -3.78 1.68 0.24 0.19 -4.88 118.33 117.16 3i6p n VAL 70 Ca -0.02 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 3i6p n VAL 70 Cb 0.51 -1.89 -0.10 0.00 -1.47 0.00 0.00 33.84 30.89 3i6p n VAL 70 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i6p s SER 71 N -7.24 -0.23 -0.01 -1.34 0.01 -0.78 -4.98 113.70 99.13 3i6p s SER 71 Ca -0.35 0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.25 3i6p s SER 71 Cb 0.12 0.46 -0.00 0.00 0.21 0.00 0.00 66.02 66.81 3i6p s SER 71 CO 0.54 -0.25 -0.04 0.54 0.41 0.00 0.00 173.24 174.44 3i6p s VAL 72 N -0.51 0.30 -0.14 3.43 0.11 -1.26 -0.66 120.40 121.67 3i6p s VAL 72 Ca -0.06 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 3i6p s VAL 72 Cb -0.04 -0.27 0.10 0.00 -1.53 0.00 0.00 36.38 34.64 3i6p s VAL 72 CO 0.02 0.09 0.84 -2.28 -3.33 0.00 0.00 175.10 170.44 3i6p s HIS 73 N -0.00 -0.55 -0.10 1.54 2.46 -0.64 -5.03 115.29 112.96 3i6p s HIS 73 Ca 0.00 1.05 0.02 0.00 0.47 0.00 0.00 55.06 56.61 3i6p s HIS 73 Cb -0.03 0.40 -0.01 0.00 -0.13 0.00 0.00 32.58 32.81 3i6p s HIS 73 CO -0.00 -0.45 -0.17 0.08 -2.47 0.00 0.00 174.74 171.73 3i6p s VAL 74 N -0.82 2.77 -0.43 0.89 1.01 -1.26 -0.91 120.40 121.64 3i6p s VAL 74 Ca -0.05 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 3i6p s VAL 74 Cb -0.01 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.34 3i6p s VAL 74 CO 0.04 0.55 0.29 -0.63 0.00 0.00 0.00 175.10 175.36 3i6p s ILE 75 N 0.07 4.41 0.38 2.22 1.01 0.07 -4.99 121.20 124.37 3i6p s ILE 75 Ca -0.07 -1.38 0.07 0.00 0.00 0.00 0.00 60.65 59.27 3i6p s ILE 75 Cb -0.15 -3.71 0.29 0.00 0.01 0.00 0.00 42.46 38.90 3i6p s ILE 75 CO 0.05 -0.55 1.98 -0.65 0.00 0.00 0.00 174.94 175.77 3i6p h PRO 76 N 8.48 0.67 -2.11 2.79 0.11 -1.94 -1.63 132.00 138.36 3i6p h PRO 76 Ca -0.24 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.29 3i6p h PRO 76 Cb 1.09 -0.15 -0.36 0.00 0.11 0.00 0.00 31.00 31.68 3i6p h PRO 76 CO 0.79 0.45 -0.96 0.54 -0.21 0.00 0.00 178.00 178.60 3i6p n ARG 77 N -4.47 0.35 -2.22 1.05 1.74 -1.26 -3.45 116.66 108.40 3i6p n ARG 77 Ca 0.09 -3.06 -0.39 0.00 -0.77 0.00 0.00 57.85 53.72 3i6p n ARG 77 Cb 0.19 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 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 -0.17 4.03 0.55 5.56 0.04 -1.26 -4.98 135.00 138.77 3i6p s PRO 78 Ca 0.33 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 3i6p s PRO 78 Cb 0.07 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 3i6p s PRO 78 CO -0.17 -0.37 1.20 -1.58 0.04 0.00 0.00 177.00 176.12 3i6p s HIS 79 N -1.36 2.54 0.35 0.56 2.46 -1.26 -4.93 115.29 113.65 3i6p s HIS 79 Ca 0.57 1.51 0.05 0.00 0.47 0.00 0.00 55.06 57.66 3i6p s HIS 79 Cb -0.33 -3.45 0.70 0.00 -0.13 0.00 0.00 32.58 29.37 3i6p s HIS 79 CO 0.42 -1.99 1.96 0.78 -2.47 0.00 0.00 174.74 173.43 3i6p h GLY 80 N 1.26 1.00 1.31 1.59 0.00 -2.03 -2.26 103.07 103.94 3i6p h GLY 80 Ca -0.50 -0.32 0.09 0.00 0.00 0.00 0.00 47.33 46.60 3i6p h GLY 80 CO 0.57 0.25 0.25 -0.55 0.00 0.00 0.00 176.54 177.06 3i6p h ASP 81 N 0.81 0.00 -0.75 0.19 5.19 -2.02 -1.79 116.42 118.05 3i6p h ASP 81 Ca 0.31 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3i6p h ASP 81 Cb 0.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 3i6p h ASP 81 CO -0.10 0.00 0.46 -0.07 -3.12 0.00 0.00 179.24 176.40 3i6p h LEU 82 N 0.00 0.90 -1.71 1.55 4.07 -1.78 -2.78 115.31 115.55 3i6p h LEU 82 Ca 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 3i6p h LEU 82 Cb 0.66 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 3i6p h LEU 82 CO -0.00 0.69 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.54 3i6p h GLU 83 N 1.04 0.00 0.00 1.13 5.08 -1.49 0.20 114.58 120.55 3i6p h GLU 83 Ca 0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3i6p h GLU 83 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3i6p h GLU 83 CO -0.05 0.18 -0.43 1.05 -1.00 0.00 0.00 179.01 178.76 3i6p h GLU 84 N 0.00 0.00 0.00 2.33 4.11 -1.59 -3.36 114.58 116.07 3i6p h GLU 84 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3i6p h GLU 84 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i6p h GLU 84 CO 0.02 0.31 -1.42 0.28 0.07 0.00 0.00 179.01 178.27 3i6p n VAL 85 N -3.14 0.08 -4.35 -1.06 0.31 -1.09 -5.02 118.33 104.07 3i6p n VAL 85 Ca 0.02 -0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 63.90 3i6p n VAL 85 Cb 0.67 0.14 -0.11 0.00 -0.91 0.00 0.00 33.84 33.62 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 -2.54 1.94 -1.02 3.52 0.40 0.69 -5.06 117.98 115.91 3i6p s PHE 86 Ca -0.03 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 3i6p s PHE 86 Cb 0.05 -0.97 -0.12 0.00 0.51 0.00 0.00 43.02 42.49 3i6p s PHE 86 CO 0.36 0.36 3.13 -0.35 0.70 0.00 0.00 175.22 179.41 3i6p n PRO 87 N 0.35 3.17 0.00 0.24 -0.04 -1.26 -4.44 135.00 133.02 3i6p n PRO 87 Ca -0.14 -1.92 0.07 0.00 -0.04 0.00 0.00 63.50 61.47 3i6p n PRO 87 Cb 0.56 -2.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.95 0.00 -2.63 0.52 -5.35 -1.26 -4.17 119.36 109.42 3i6p n ILE 88 Ca 0.65 -0.38 -0.24 0.00 -0.27 0.00 0.00 62.75 62.50 3i6p n ILE 88 Cb 0.47 1.19 0.12 0.00 -1.74 0.00 0.00 39.64 39.69 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 -1.62 1.74 0.00 3.28 0.00 -1.26 -4.86 107.32 104.60 3i6p s GLY 89 Ca 0.13 -1.89 0.08 0.00 0.00 0.00 0.00 44.72 43.03 3i6p s GLY 89 CO 0.32 -1.26 0.74 1.04 0.00 0.00 0.00 173.10 173.94