#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p s LYS 2 N 0.00 2.71 0.85 2.12 1.02 -1.26 -5.11 119.74 120.07 3i1p s LYS 2 Ca 0.00 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 3i1p s LYS 2 Cb 0.00 -3.12 0.10 0.00 -0.52 0.00 0.00 37.83 34.29 3i1p s LYS 2 CO 0.00 -0.50 1.12 0.95 -0.92 0.00 0.00 175.35 176.00 3i1p s THR 3 N 1.32 2.53 0.91 2.17 -4.23 -1.26 -5.06 115.64 112.02 3i1p s THR 3 Ca -0.02 0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 3i1p s THR 3 Cb -0.18 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 70.95 3i1p s THR 3 CO -0.02 -0.22 1.01 0.33 -0.54 0.00 0.00 174.62 175.18 3i1p n PHE 4 N -3.58 -3.88 -3.15 3.99 -0.00 -1.26 -5.10 117.46 104.48 3i1p n PHE 4 Ca 0.07 -0.90 0.06 0.00 -0.00 0.00 0.00 57.45 56.67 3i1p n PHE 4 Cb 0.58 -0.90 -0.02 0.00 -0.00 0.00 0.00 39.48 39.15 3i1p n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3i1p s THR 5 N -3.04 -0.16 -0.61 -2.13 -1.32 -1.26 -4.99 115.64 102.12 3i1p s THR 5 Ca 0.61 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.83 3i1p s THR 5 Cb -0.04 -0.87 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 3i1p s THR 5 CO 0.45 0.00 2.34 0.00 -2.21 0.00 0.00 174.62 175.20 3i1p s ALA 6 N 2.98 1.38 0.40 11.08 0.00 -0.75 -4.91 121.76 131.93 3i1p s ALA 6 Ca -0.01 -0.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 3i1p s ALA 6 Cb -0.08 -4.43 -0.10 0.00 0.00 0.00 0.00 23.12 18.51 3i1p s ALA 6 CO -0.11 -4.89 1.30 1.63 0.00 0.00 0.00 175.76 173.69 3i1p n LYS 7 N 8.96 2.05 0.07 0.00 4.76 -1.25 -4.84 118.16 127.92 3i1p n LYS 7 Ca 0.39 0.73 -0.06 0.00 -2.87 0.00 0.00 58.31 56.49 3i1p n LYS 7 Cb 0.51 -2.41 0.11 0.00 -1.84 0.00 0.00 35.03 31.40 3i1p n LYS 7 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3i1p h PRO 8 N 2.27 0.30 0.05 1.97 0.13 -1.99 -2.93 132.00 131.80 3i1p h PRO 8 Ca -0.48 -0.20 -0.15 0.00 -0.87 0.00 0.00 66.00 64.29 3i1p h PRO 8 Cb 1.29 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.46 3i1p h PRO 8 CO 0.61 0.80 -0.63 1.49 -0.23 0.00 0.00 178.00 180.04 3i1p h GLU 9 N 0.23 0.35 -4.85 0.86 4.81 -2.02 -3.40 114.58 110.56 3i1p h GLU 9 Ca -0.00 -0.44 -0.70 0.00 -0.13 0.00 0.00 59.36 58.09 3i1p h GLU 9 Cb 1.10 0.14 -0.19 0.00 0.63 0.00 0.00 28.75 30.43 3i1p h GLU 9 CO 0.09 1.13 0.64 0.99 -0.73 0.00 0.00 179.01 181.14 3i1p s THR 10 N -2.92 4.84 0.00 0.32 2.01 -1.11 -4.97 115.64 113.81 3i1p s THR 10 Ca -0.14 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 60.29 3i1p s THR 10 Cb 0.02 -4.70 0.00 0.00 0.01 0.00 0.00 72.50 67.83 3i1p s THR 10 CO 0.82 -1.40 0.00 1.33 -0.69 0.00 0.00 174.62 174.68 3i1p n VAL 11 N 5.30 0.00 0.00 3.82 0.24 -1.25 -3.78 118.33 122.66 3i1p n VAL 11 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 3i1p n VAL 11 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3i1p n VAL 11 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1p n LYS 12 N 0.00 0.00 -2.45 7.34 4.76 -1.26 -5.13 118.16 121.42 3i1p n LYS 12 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 3i1p n LYS 12 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 3i1p n LYS 12 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1p n ARG 13 N -0.74 -4.43 -1.90 1.97 1.74 -1.26 -5.07 116.66 106.97 3i1p n ARG 13 Ca 0.00 3.26 -0.05 0.00 -0.77 0.00 0.00 57.85 60.29 3i1p n ARG 13 Cb 0.00 -4.33 0.00 0.00 -1.02 0.00 0.00 32.46 27.12 3i1p n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i1p n ASP 14 N 1.87 1.25 -4.09 0.55 8.00 -1.26 -4.78 116.55 118.08 3i1p n ASP 14 Ca -0.14 -1.37 -0.26 0.00 0.71 0.00 0.00 54.79 53.73 3i1p n ASP 14 Cb 0.22 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.14 3i1p n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i1p s TRP 15 N -0.45 1.62 0.08 1.24 0.52 -1.25 -0.12 118.94 120.57 3i1p s TRP 15 Ca 0.07 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.67 3i1p s TRP 15 Cb -0.01 -1.13 -0.04 0.00 -1.15 0.00 0.00 33.47 31.15 3i1p s TRP 15 CO 0.04 -0.22 -0.06 0.71 0.02 0.00 0.00 176.95 177.44 3i1p s TYR 16 N 0.31 0.78 0.04 -1.98 1.51 -0.70 -1.43 117.35 115.88 3i1p s TYR 16 Ca -0.09 -0.85 0.09 0.00 -1.01 0.00 0.00 57.07 55.20 3i1p s TYR 16 Cb -0.13 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 3i1p s TYR 16 CO 0.03 -0.17 -0.25 0.08 -1.11 0.00 0.00 175.55 174.12 3i1p s VAL 17 N -3.21 2.21 -0.17 0.71 1.01 -1.25 -1.85 120.40 117.85 3i1p s VAL 17 Ca 0.06 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 3i1p s VAL 17 Cb 0.03 -1.86 0.08 0.00 0.00 0.00 0.00 36.38 34.62 3i1p s VAL 17 CO -0.05 0.37 0.26 0.54 0.00 0.00 0.00 175.10 176.23 3i1p s VAL 18 N -0.81 -0.41 -0.54 2.92 0.11 -0.06 -1.67 120.40 119.94 3i1p s VAL 18 Ca 0.12 0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 59.00 3i1p s VAL 18 Cb -0.10 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3i1p s VAL 18 CO 0.02 -0.01 1.37 -0.62 -3.33 0.00 0.00 175.10 172.52 3i1p s ASP 19 N 2.40 6.23 -0.97 3.54 2.15 -1.26 -0.66 116.67 128.11 3i1p s ASP 19 Ca 0.04 0.35 -0.01 0.00 0.43 0.00 0.00 52.55 53.36 3i1p s ASP 19 Cb -0.14 -2.55 0.33 0.00 -0.30 0.00 0.00 42.92 40.26 3i1p s ASP 19 CO -0.10 -1.61 1.80 0.00 -0.17 0.00 0.00 175.17 175.08 3i1p n ALA 20 N 9.20 6.05 -0.01 3.66 0.00 -1.26 -4.71 120.51 133.45 3i1p n ALA 20 Ca 0.12 -4.55 -0.01 0.00 0.00 0.00 0.00 53.44 49.01 3i1p n ALA 20 Cb 0.49 -2.07 -0.00 0.00 0.00 0.00 0.00 19.45 17.87 3i1p n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1p n THR 21 N -0.14 0.16 0.16 0.00 -1.04 -1.26 -3.73 114.28 108.42 3i1p n THR 21 Ca 0.47 0.47 0.01 0.00 -2.04 0.00 0.00 64.05 62.96 3i1p n THR 21 Cb 0.27 -1.60 0.31 0.00 -1.82 0.00 0.00 70.33 67.49 3i1p n THR 21 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3i1p h GLY 22 N -0.11 0.07 -5.25 3.41 0.00 -1.84 -3.17 103.07 96.18 3i1p h GLY 22 Ca 0.00 -0.06 -0.70 0.00 0.00 0.00 0.00 47.33 46.57 3i1p h GLY 22 CO 0.00 0.06 -0.29 0.28 0.00 0.00 0.00 176.54 176.59 3i1p n LYS 23 N -4.06 0.00 0.00 4.80 4.76 -1.26 -4.57 118.16 117.83 3i1p n LYS 23 Ca -0.02 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.56 3i1p n LYS 23 Cb 0.44 -1.17 0.61 0.00 -1.84 0.00 0.00 35.03 33.07 3i1p n LYS 23 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3i1p n THR 24 N 0.58 0.09 -1.22 -0.18 -1.04 -1.26 -2.93 114.28 108.31 3i1p n THR 24 Ca 0.18 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 3i1p n THR 24 Cb 0.18 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 3i1p n THR 24 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i1p n LEU 25 N -1.46 -1.59 0.00 -4.42 -0.00 -1.25 -4.29 117.00 103.99 3i1p n LEU 25 Ca 0.08 2.28 0.00 0.00 -0.00 0.00 0.00 56.01 58.37 3i1p n LEU 25 Cb 0.31 -2.15 0.00 0.00 -0.00 0.00 0.00 43.42 41.58 3i1p n LEU 25 CO 0.25 -0.19 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 3i1p n GLY 26 N -1.71 0.62 0.11 -3.96 0.00 -1.26 -3.90 105.19 95.10 3i1p n GLY 26 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3i1p n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i1p h ARG 27 N 0.00 0.00 0.00 1.61 2.47 -1.98 -3.15 114.38 113.33 3i1p h ARG 27 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i1p h ARG 27 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3i1p h ARG 27 CO 0.00 0.00 -0.00 1.25 0.56 0.00 0.00 179.97 181.78 3i1p h LEU 28 N 0.00 0.00 -1.00 3.04 5.85 -1.88 -3.33 115.31 117.99 3i1p h LEU 28 Ca 0.00 0.00 0.38 0.00 0.84 0.00 0.00 57.88 59.10 3i1p h LEU 28 Cb 0.88 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 3i1p h LEU 28 CO 0.00 0.00 0.60 0.00 -0.34 0.00 0.00 178.44 178.70 3i1p n ALA 29 N -2.08 1.00 0.09 1.25 0.00 -1.26 0.72 120.51 120.23 3i1p n ALA 29 Ca -0.00 0.80 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 3i1p n ALA 29 Cb 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 3i1p n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h THR 30 N 0.00 0.95 0.00 0.00 1.03 -1.72 0.75 112.91 113.92 3i1p h THR 30 Ca 0.73 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.82 3i1p h THR 30 Cb 2.14 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 3i1p h THR 30 CO -0.52 0.08 0.00 1.21 -0.01 0.00 0.00 175.52 176.27 3i1p n GLU 31 N -5.10 0.11 -0.04 0.00 4.07 0.22 -1.27 120.64 118.64 3i1p n GLU 31 Ca -0.08 0.21 -0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3i1p n GLU 31 Cb 0.15 -1.66 -0.00 0.00 -0.06 0.00 0.00 31.44 29.87 3i1p n GLU 31 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3i1p h LEU 32 N 0.00 0.00 -0.96 4.31 3.38 -0.72 -3.21 115.31 118.11 3i1p h LEU 32 Ca 0.00 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.36 3i1p h LEU 32 Cb 0.46 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 3i1p h LEU 32 CO 0.00 0.40 0.46 0.00 0.09 0.00 0.00 178.44 179.40 3i1p n ALA 33 N -2.67 0.93 0.11 1.53 0.00 0.26 0.16 120.51 120.83 3i1p n ALA 33 Ca -0.01 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.30 3i1p n ALA 33 Cb 0.02 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 3i1p n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ARG 34 N 0.00 -0.32 0.00 0.00 2.47 -1.32 -2.05 114.38 113.16 3i1p h ARG 34 Ca 0.79 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 59.45 3i1p h ARG 34 Cb 2.05 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 30.43 3i1p h ARG 34 CO -0.76 -0.21 -0.61 0.00 0.56 0.00 0.00 179.97 178.94 3i1p h ARG 35 N -0.33 0.00 0.00 0.04 3.08 0.12 0.25 114.38 117.54 3i1p h ARG 35 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3i1p h ARG 35 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3i1p h ARG 35 CO -0.06 0.30 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.77 3i1p h LEU 36 N 0.00 0.00 -0.73 3.04 -0.00 0.15 -2.56 115.31 115.22 3i1p h LEU 36 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3i1p h LEU 36 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 3i1p h LEU 36 CO 0.04 0.29 -0.33 -1.14 -0.00 0.00 0.00 178.44 177.31 3i1p n ARG 37 N -3.80 1.04 -2.02 1.13 0.63 -0.77 -4.31 116.66 108.55 3i1p n ARG 37 Ca -0.01 -0.73 -0.11 0.00 -0.92 0.00 0.00 57.85 56.08 3i1p n ARG 37 Cb 0.38 -1.48 -0.01 0.00 0.45 0.00 0.00 32.46 31.79 3i1p n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1p n GLY 38 N 1.36 0.19 0.29 5.14 0.00 -0.97 -4.15 105.19 107.05 3i1p n GLY 38 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i1p n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1p n LYS 39 N -2.19 0.45 -0.01 1.61 3.00 0.83 -2.79 118.16 119.07 3i1p n LYS 39 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 3i1p n LYS 39 Cb 0.55 -1.13 0.01 0.00 0.00 0.00 0.00 35.03 34.45 3i1p n LYS 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3i1p n HIS 40 N -0.05 0.00 -2.53 5.64 1.44 -1.26 -4.99 115.22 113.47 3i1p n HIS 40 Ca 0.00 -0.40 0.00 0.00 -2.01 0.00 0.00 57.72 55.31 3i1p n HIS 40 Cb 0.07 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.13 3i1p n HIS 40 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3i1p n LYS 41 N -0.42 3.83 -1.15 -1.40 5.02 -1.12 -4.92 118.16 118.00 3i1p n LYS 41 Ca 0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 3i1p n LYS 41 Cb 0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.31 3i1p n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1p n ALA 42 N -3.00 6.21 0.54 7.82 0.00 -1.26 -4.73 120.51 126.09 3i1p n ALA 42 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.40 3i1p n ALA 42 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 19.45 16.18 3i1p n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1p n GLU 43 N 4.21 0.27 -1.44 0.00 0.00 -1.26 -4.73 120.64 117.69 3i1p n GLU 43 Ca 0.63 0.00 -0.47 0.00 0.00 0.00 0.00 57.16 57.33 3i1p n GLU 43 Cb 0.22 -1.02 -0.11 0.00 0.00 0.00 0.00 31.44 30.54 3i1p n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3i1p n TYR 44 N -0.52 1.08 0.00 4.31 9.36 -1.26 -3.94 117.16 126.19 3i1p n TYR 44 Ca 0.00 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.62 3i1p n TYR 44 Cb 0.00 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.27 3i1p n TYR 44 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 3i1p n THR 45 N 7.29 0.00 0.32 2.97 5.66 -1.26 -1.82 114.28 127.44 3i1p n THR 45 Ca 0.53 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.64 3i1p n THR 45 Cb 0.14 0.00 0.59 0.00 -1.55 0.00 0.00 70.33 69.52 3i1p n THR 45 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3i1p h PRO 46 N 0.00 0.00 0.14 1.09 0.11 -1.98 -2.13 132.00 129.22 3i1p h PRO 46 Ca 0.00 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.79 3i1p h PRO 46 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i1p h PRO 46 CO 0.00 0.00 -1.57 0.45 -0.21 0.00 0.00 178.00 176.67 3i1p h HIS 47 N 0.00 0.52 -2.25 0.65 3.86 -1.92 -3.47 115.15 112.54 3i1p h HIS 47 Ca 0.00 -0.38 -0.59 0.00 -1.16 0.00 0.00 60.37 58.24 3i1p h HIS 47 Cb 0.98 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.31 3i1p h HIS 47 CO 0.00 1.44 -0.72 0.08 0.86 0.00 0.00 177.93 179.59 3i1p s VAL 48 N -2.61 2.82 -0.25 2.45 1.01 -0.80 -5.01 120.40 118.01 3i1p s VAL 48 Ca -0.10 -2.21 -0.18 0.00 0.00 0.00 0.00 61.98 59.49 3i1p s VAL 48 Cb 0.06 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3i1p s VAL 48 CO 0.86 -0.38 0.52 1.51 0.00 0.00 0.00 175.10 177.60 3i1p s ASP 49 N -3.53 6.46 -0.08 3.32 3.84 -1.26 -4.76 116.67 120.66 3i1p s ASP 49 Ca 0.30 0.55 0.14 0.00 -0.00 0.00 0.00 52.55 53.54 3i1p s ASP 49 Cb -0.06 -2.28 0.44 0.00 -1.38 0.00 0.00 42.92 39.64 3i1p s ASP 49 CO 0.17 -0.27 1.36 0.35 -0.00 0.00 0.00 175.17 176.78 3i1p n THR 50 N 5.04 1.58 -2.07 2.11 -2.24 -1.26 -4.98 114.28 112.45 3i1p n THR 50 Ca -0.04 -1.35 -0.34 0.00 -2.27 0.00 0.00 64.05 60.05 3i1p n THR 50 Cb 0.50 0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.92 3i1p n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i1p s GLY 51 N -1.33 2.37 0.30 3.38 0.00 -1.26 -4.42 107.32 106.36 3i1p s GLY 51 Ca 0.34 0.64 -0.20 0.00 0.00 0.00 0.00 44.72 45.49 3i1p s GLY 51 CO 0.14 0.98 0.81 0.99 0.00 0.00 0.00 173.10 176.02 3i1p s ASP 52 N -2.24 7.03 -0.34 1.64 -0.00 -1.07 -4.44 116.67 117.25 3i1p s ASP 52 Ca 0.69 1.51 -0.29 0.00 -0.00 0.00 0.00 52.55 54.46 3i1p s ASP 52 Cb -0.21 -2.46 -0.01 0.00 -0.00 0.00 0.00 42.92 40.25 3i1p s ASP 52 CO 0.33 -0.11 1.59 -0.31 -0.00 0.00 0.00 175.17 176.67 3i1p s TYR 53 N -1.76 2.14 -0.05 4.23 2.02 0.82 -4.59 117.35 120.16 3i1p s TYR 53 Ca 0.50 0.64 0.04 0.00 -0.37 0.00 0.00 57.07 57.88 3i1p s TYR 53 Cb -0.14 -4.16 -0.00 0.00 -0.40 0.00 0.00 41.96 37.26 3i1p s TYR 53 CO 0.19 -2.52 -0.18 -1.50 -1.57 0.00 0.00 175.55 169.98 3i1p s ILE 54 N 5.86 1.48 -0.13 2.71 1.10 -0.76 -1.72 121.20 129.75 3i1p s ILE 54 Ca 0.70 -0.74 0.02 0.00 -0.51 0.00 0.00 60.65 60.12 3i1p s ILE 54 Cb -0.19 -1.28 0.01 0.00 0.15 0.00 0.00 42.46 41.15 3i1p s ILE 54 CO 0.32 0.43 -0.18 0.27 -2.11 0.00 0.00 174.94 173.66 3i1p s ILE 55 N 0.08 1.76 0.82 2.00 -4.36 -0.77 -3.64 121.20 117.09 3i1p s ILE 55 Ca -0.05 -0.80 -0.14 0.00 -0.26 0.00 0.00 60.65 59.40 3i1p s ILE 55 Cb -0.12 -1.59 0.20 0.00 1.25 0.00 0.00 42.46 42.21 3i1p s ILE 55 CO 0.03 0.49 0.70 1.33 0.24 0.00 0.00 174.94 177.73 3i1p n VAL 56 N 4.18 0.00 0.00 8.37 0.24 -0.88 -0.88 118.33 129.35 3i1p n VAL 56 Ca -0.19 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3i1p n VAL 56 Cb 0.51 -1.11 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 3i1p n VAL 56 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i1p n LEU 57 N 0.00 0.00 -3.35 1.34 7.94 0.17 -4.54 117.00 118.56 3i1p n LEU 57 Ca 0.10 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.61 3i1p n LEU 57 Cb 0.39 0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 3i1p n LEU 57 CO 0.27 -0.13 3.24 0.59 -1.11 0.00 0.00 177.39 180.24 3i1p n ASN 58 N -1.39 8.53 -0.00 1.96 4.13 -1.26 0.59 115.26 127.82 3i1p n ASN 58 Ca 0.00 -2.67 -0.10 0.00 1.68 0.00 0.00 54.58 53.49 3i1p n ASN 58 Cb 0.00 -1.53 -0.05 0.00 -1.54 0.00 0.00 39.78 36.66 3i1p n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1p h ALA 59 N 4.97 0.09 -1.17 5.41 0.00 -1.78 -2.34 119.26 124.43 3i1p h ALA 59 Ca 0.84 0.03 0.33 0.00 0.00 0.00 0.00 54.91 56.12 3i1p h ALA 59 Cb 0.29 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3i1p h ALA 59 CO 1.74 -0.46 0.78 0.38 0.00 0.00 0.00 179.25 181.69 3i1p h ASP 60 N 0.03 0.26 -0.56 0.00 2.03 -1.82 -1.07 116.42 115.29 3i1p h ASP 60 Ca 0.05 0.07 -0.21 0.00 -0.73 0.00 0.00 57.03 56.20 3i1p h ASP 60 Cb 0.06 0.03 -0.13 0.00 -0.83 0.00 0.00 39.33 38.46 3i1p h ASP 60 CO -0.09 0.00 0.17 0.29 -1.03 0.00 0.00 179.24 178.59 3i1p n LYS 61 N -4.49 2.69 -2.86 4.15 5.02 -0.89 -4.99 118.16 116.79 3i1p n LYS 61 Ca 0.28 -3.06 -0.39 0.00 -2.02 0.00 0.00 58.31 53.13 3i1p n LYS 61 Cb 1.13 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3i1p n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1p s VAL 62 N -3.10 4.24 -0.28 -0.18 0.11 -0.41 -4.47 120.40 116.32 3i1p s VAL 62 Ca 0.49 1.82 -0.12 0.00 -2.93 0.00 0.00 61.98 61.24 3i1p s VAL 62 Cb 0.42 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 3i1p s VAL 62 CO 0.08 0.38 0.26 0.00 -3.33 0.00 0.00 175.10 172.48 3i1p s ALA 63 N -1.33 3.54 0.03 1.54 0.00 -1.15 -4.97 121.76 119.43 3i1p s ALA 63 Ca 0.42 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 3i1p s ALA 63 Cb -0.22 -2.57 -0.18 0.00 0.00 0.00 0.00 23.12 20.14 3i1p s ALA 63 CO 0.27 -0.60 1.22 -0.24 0.00 0.00 0.00 175.76 176.40 3i1p h VAL 64 N 5.38 1.38 -3.82 0.00 3.04 -1.88 -3.34 116.25 117.00 3i1p h VAL 64 Ca -0.34 -1.79 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 3i1p h VAL 64 Cb 1.18 2.23 0.00 0.00 -2.01 0.00 0.00 31.29 32.69 3i1p h VAL 64 CO 0.59 0.53 -0.25 0.41 -1.01 0.00 0.00 177.57 177.84 3i1p n THR 65 N -4.29 -5.50 -3.89 3.17 -1.04 -1.26 -4.91 114.28 96.55 3i1p n THR 65 Ca -0.08 0.46 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3i1p n THR 65 Cb 0.57 -5.18 0.00 0.00 -1.82 0.00 0.00 70.33 63.90 3i1p n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1p n GLY 66 N -0.18 -0.82 1.15 3.41 0.00 -1.26 -4.86 105.19 102.63 3i1p n GLY 66 Ca 0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 3i1p n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1p n ASN 67 N 0.99 2.89 -0.93 1.61 2.85 -1.26 -4.06 115.26 117.34 3i1p n ASN 67 Ca 0.00 -2.42 0.08 0.00 -0.11 0.00 0.00 54.58 52.13 3i1p n ASN 67 Cb 0.00 -0.59 0.24 0.00 1.24 0.00 0.00 39.78 40.67 3i1p n ASN 67 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 3i1p n LYS 68 N 0.11 3.09 0.19 1.20 2.85 -1.26 -3.97 118.16 120.37 3i1p n LYS 68 Ca 0.14 -2.57 0.14 0.00 -1.05 0.00 0.00 58.31 54.97 3i1p n LYS 68 Cb 0.71 -1.65 0.61 0.00 -0.65 0.00 0.00 35.03 34.04 3i1p n LYS 68 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3i1p h ARG 69 N 2.29 0.00 0.00 -1.58 9.65 -1.96 -3.27 114.38 119.51 3i1p h ARG 69 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i1p h ARG 69 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3i1p h ARG 69 CO 0.15 0.00 0.00 0.25 2.80 0.00 0.00 179.97 183.17 3i1p n THR 70 N -2.49 0.00 -2.25 0.20 -2.24 -1.26 -1.93 114.28 104.31 3i1p n THR 70 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3i1p n THR 70 Cb 0.20 0.77 0.08 0.00 -2.10 0.00 0.00 70.33 69.27 3i1p n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i1p n ASP 71 N 0.00 1.30 -2.59 3.42 10.43 -1.23 -4.83 116.55 123.05 3i1p n ASP 71 Ca 0.00 -2.58 0.00 0.00 2.57 0.00 0.00 54.79 54.78 3i1p n ASP 71 Cb 0.50 -0.37 0.00 0.00 1.84 0.00 0.00 41.12 43.09 3i1p n ASP 71 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1p n LYS 72 N -0.03 0.47 0.02 -1.24 4.76 -1.26 -4.89 118.16 116.00 3i1p n LYS 72 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 3i1p n LYS 72 Cb 1.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.19 3i1p n LYS 72 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i1p n VAL 73 N -1.00 0.27 -3.44 -0.18 0.24 -1.26 -4.72 118.33 108.23 3i1p n VAL 73 Ca 0.00 0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 62.23 3i1p n VAL 73 Cb 0.00 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 3i1p n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i1p n TYR 74 N -2.79 -2.53 -3.60 6.34 4.02 -1.26 -3.66 117.16 113.68 3i1p n TYR 74 Ca 0.00 1.00 -0.28 0.00 -0.01 0.00 0.00 57.90 58.61 3i1p n TYR 74 Cb 0.00 -3.28 -0.03 0.00 -0.02 0.00 0.00 39.34 36.00 3i1p n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3i1p s TYR 75 N -2.86 3.48 0.10 -0.72 2.02 -1.26 -3.78 117.35 114.32 3i1p s TYR 75 Ca 0.04 0.44 -0.18 0.00 -0.37 0.00 0.00 57.07 57.00 3i1p s TYR 75 Cb -0.01 -1.93 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3i1p s TYR 75 CO 0.83 0.33 0.43 -3.38 -1.57 0.00 0.00 175.55 172.19 3i1p s HIS 76 N -1.91 -0.27 -0.31 2.71 -3.43 -1.07 -5.00 115.29 106.01 3i1p s HIS 76 Ca 0.40 0.07 0.01 0.00 -0.80 0.00 0.00 55.06 54.74 3i1p s HIS 76 Cb -0.11 0.28 0.10 0.00 -1.43 0.00 0.00 32.58 31.41 3i1p s HIS 76 CO 0.29 -0.67 0.07 -1.58 -2.00 0.00 0.00 174.74 170.85 3i1p s HIS 77 N -3.29 2.50 0.28 0.38 2.46 -1.24 -0.52 115.29 115.87 3i1p s HIS 77 Ca -0.00 -2.18 0.02 0.00 0.47 0.00 0.00 55.06 53.36 3i1p s HIS 77 Cb 0.01 -2.13 0.69 0.00 -0.13 0.00 0.00 32.58 31.01 3i1p s HIS 77 CO -0.08 -0.89 1.67 1.79 -2.47 0.00 0.00 174.74 174.75 3i1p h THR 78 N 6.55 0.39 0.00 0.89 1.35 -1.88 -3.45 112.91 116.76 3i1p h THR 78 Ca -0.11 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3i1p h THR 78 Cb 1.02 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3i1p h THR 78 CO 0.48 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3i1p n GLY 79 N -1.36 0.84 3.29 5.82 0.00 -1.26 -5.10 105.19 107.42 3i1p n GLY 79 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 3i1p n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i1p n HIS 80 N 0.00 -1.27 0.00 1.61 8.25 -1.26 -5.07 115.22 117.48 3i1p n HIS 80 Ca 0.00 -2.44 0.00 0.00 -0.26 0.00 0.00 57.72 55.02 3i1p n HIS 80 Cb 0.00 0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3i1p n HIS 80 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3i1p n ILE 81 N -0.59 0.00 -0.28 1.59 5.41 -1.26 -2.44 119.36 121.79 3i1p n ILE 81 Ca 0.02 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.67 3i1p n ILE 81 Cb 0.59 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.45 3i1p n ILE 81 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3i1p h GLY 82 N 0.00 -0.69 0.00 7.39 0.00 -2.04 -3.43 103.07 104.30 3i1p h GLY 82 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.02 3i1p h GLY 82 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.07 3i1p n GLY 83 N -1.35 0.57 3.55 4.60 0.00 -1.02 -4.82 105.19 106.72 3i1p n GLY 83 Ca 0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i1p n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1p s ILE 84 N 0.00 3.37 -0.05 -0.61 1.10 -1.25 -2.57 121.20 121.18 3i1p s ILE 84 Ca 0.00 0.04 -0.08 0.00 -0.51 0.00 0.00 60.65 60.10 3i1p s ILE 84 Cb 0.00 -3.92 -0.05 0.00 0.15 0.00 0.00 42.46 38.64 3i1p s ILE 84 CO 0.00 -0.89 0.24 -0.54 -2.11 0.00 0.00 174.94 171.64 3i1p s LYS 85 N 7.09 3.58 0.44 3.50 1.02 0.32 -4.96 119.74 130.72 3i1p s LYS 85 Ca 0.69 -0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.75 3i1p s LYS 85 Cb -0.11 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3i1p s LYS 85 CO 0.15 0.72 0.44 -1.14 -0.92 0.00 0.00 175.35 174.59 3i1p s GLN 86 N -1.29 2.55 0.00 1.68 0.74 -1.26 -2.61 119.66 119.46 3i1p s GLN 86 Ca 0.21 -1.53 0.00 0.00 0.05 0.00 0.00 55.36 54.09 3i1p s GLN 86 Cb -0.13 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.54 3i1p s GLN 86 CO 0.10 -0.28 0.00 0.00 -0.55 0.00 0.00 175.29 174.57 3i1p n ALA 87 N -1.65 0.00 -1.57 1.58 0.00 -1.24 -5.00 120.51 112.62 3i1p n ALA 87 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 3i1p n ALA 87 Cb 0.61 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.10 3i1p n ALA 87 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i1p s THR 88 N 0.00 3.72 0.19 0.00 -1.32 -1.26 -4.35 115.64 112.62 3i1p s THR 88 Ca 0.00 0.71 -0.20 0.00 -1.21 0.00 0.00 61.69 60.99 3i1p s THR 88 Cb 0.00 -3.29 0.13 0.00 -1.51 0.00 0.00 72.50 67.83 3i1p s THR 88 CO 0.00 -0.58 1.59 0.15 -2.21 0.00 0.00 174.62 173.57 3i1p h PHE 89 N -0.10 -0.91 -1.01 9.09 3.04 -1.84 0.55 116.94 125.75 3i1p h PHE 89 Ca -0.46 0.07 0.23 0.00 3.98 0.00 0.00 57.97 61.80 3i1p h PHE 89 Cb 1.22 0.49 -0.11 0.00 2.56 0.00 0.00 35.95 40.11 3i1p h PHE 89 CO 0.59 -0.38 0.61 1.49 -2.02 0.00 0.00 178.31 178.60 3i1p h GLU 90 N -0.15 0.58 0.00 1.11 4.81 -1.70 0.34 114.58 119.57 3i1p h GLU 90 Ca 0.24 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 3i1p h GLU 90 Cb 0.55 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3i1p h GLU 90 CO -0.69 0.38 -0.83 0.93 -0.73 0.00 0.00 179.01 178.07 3i1p h GLU 91 N 0.60 0.00 0.00 1.92 5.08 -0.85 -3.25 114.58 118.07 3i1p h GLU 91 Ca 0.62 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.93 3i1p h GLU 91 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3i1p h GLU 91 CO -0.41 0.78 -0.21 0.52 -1.00 0.00 0.00 179.01 178.69 3i1p h MET 92 N 0.00 0.00 -0.04 2.33 2.86 0.39 -0.27 114.93 120.20 3i1p h MET 92 Ca -0.02 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.39 3i1p h MET 92 Cb 1.62 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.29 3i1p h MET 92 CO 0.10 0.21 -0.91 0.82 1.06 0.00 0.00 176.91 178.19 3i1p h ILE 93 N 0.00 1.34 0.00 -1.22 5.03 -1.35 -3.25 117.51 118.06 3i1p h ILE 93 Ca -0.00 -2.25 -0.40 0.00 -0.12 0.00 0.00 64.86 62.09 3i1p h ILE 93 Cb 0.54 2.28 0.01 0.00 -3.03 0.00 0.00 36.82 36.62 3i1p h ILE 93 CO 0.03 0.69 2.60 0.00 -0.68 0.00 0.00 178.15 180.78 3i1p n ALA 94 N -2.58 5.03 0.00 1.87 0.00 -0.11 -4.08 120.51 120.64 3i1p n ALA 94 Ca -0.08 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.24 3i1p n ALA 94 Cb 0.82 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3i1p n ALA 94 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i1p n ARG 95 N 4.03 0.00 -1.01 0.00 -4.01 -1.25 -4.97 116.66 109.45 3i1p n ARG 95 Ca 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.29 3i1p n ARG 95 Cb 0.17 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.59 3i1p n ARG 95 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3i1p n ARG 96 N -1.87 0.00 0.18 2.89 1.74 -1.26 -4.69 116.66 113.65 3i1p n ARG 96 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3i1p n ARG 96 Cb 0.00 0.00 0.59 0.00 -1.02 0.00 0.00 32.46 32.03 3i1p n ARG 96 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3i1p h PRO 97 N 0.39 0.00 -0.13 5.56 0.13 -1.70 -2.50 132.00 133.76 3i1p h PRO 97 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 3i1p h PRO 97 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3i1p h PRO 97 CO 0.00 0.00 0.67 0.93 -0.23 0.00 0.00 178.00 179.37 3i1p h GLU 98 N 0.00 0.00 0.00 0.86 4.39 -1.84 -2.82 114.58 115.17 3i1p h GLU 98 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i1p h GLU 98 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3i1p h GLU 98 CO 0.00 0.00 -0.97 0.54 -1.16 0.00 0.00 179.01 177.42 3i1p n ARG 99 N -2.85 0.01 0.00 2.33 1.74 -0.94 -3.06 116.66 113.90 3i1p n ARG 99 Ca 0.02 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 3i1p n ARG 99 Cb 0.73 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 3i1p n ARG 99 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1p h VAL 100 N 0.00 1.31 0.00 1.55 2.07 -1.73 0.57 116.25 120.02 3i1p h VAL 100 Ca 0.00 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 3i1p h VAL 100 Cb 0.51 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3i1p h VAL 100 CO 0.00 0.31 -0.12 0.40 0.02 0.00 0.00 177.57 178.18 3i1p h ILE 101 N -0.61 0.49 0.00 4.57 1.08 -1.75 -1.66 117.51 119.63 3i1p h ILE 101 Ca -0.01 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 3i1p h ILE 101 Cb 0.54 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 3i1p h ILE 101 CO 0.01 0.11 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.45 3i1p h GLU 102 N 0.00 0.03 -0.00 2.37 4.81 -1.45 -3.29 114.58 117.05 3i1p h GLU 102 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i1p h GLU 102 Cb 0.37 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3i1p h GLU 102 CO 0.02 0.90 -0.29 0.44 -0.73 0.00 0.00 179.01 179.34 3i1p n ILE 103 N -4.63 0.00 0.24 2.32 -6.64 0.18 -3.21 119.36 107.62 3i1p n ILE 103 Ca -0.10 -0.03 0.12 0.00 -1.77 0.00 0.00 62.75 60.97 3i1p n ILE 103 Cb 0.45 0.07 0.13 0.00 -1.44 0.00 0.00 39.64 38.85 3i1p n ILE 103 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1p h ALA 104 N 3.24 0.78 0.00 -1.28 0.00 -1.42 -3.30 119.26 117.29 3i1p h ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1p h ALA 104 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i1p h ALA 104 CO 0.00 0.00 -1.11 1.55 0.00 0.00 0.00 179.25 179.69 3i1p n VAL 105 N -2.80 0.00 -0.01 0.00 3.14 -1.23 -4.04 118.33 113.40 3i1p n VAL 105 Ca 0.03 -0.24 -0.18 0.00 -2.96 0.00 0.00 64.34 60.99 3i1p n VAL 105 Cb 0.52 0.64 -0.09 0.00 -1.06 0.00 0.00 33.84 33.85 3i1p n VAL 105 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 3i1p h LYS 106 N 0.00 0.67 -0.01 1.45 1.63 -1.66 0.32 116.57 118.97 3i1p h LYS 106 Ca 0.00 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3i1p h LYS 106 Cb 0.49 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3i1p h LYS 106 CO 0.00 1.21 0.01 0.78 -3.45 0.00 0.00 179.45 178.00 3i1p h GLY 107 N 0.33 0.00 1.19 5.01 0.00 -1.76 -2.19 103.07 105.65 3i1p h GLY 107 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.96 3i1p h GLY 107 CO 0.15 0.00 -1.56 -0.33 0.00 0.00 0.00 176.54 174.80 3i1p h MET 108 N 0.00 0.19 -7.07 4.80 2.86 -1.57 -3.46 114.93 110.68 3i1p h MET 108 Ca 0.00 -0.33 -0.47 0.00 -2.06 0.00 0.00 59.70 56.85 3i1p h MET 108 Cb 0.03 0.12 0.02 0.00 0.06 0.00 0.00 31.60 31.83 3i1p h MET 108 CO -0.00 1.02 0.38 -0.51 1.06 0.00 0.00 176.91 178.86 3i1p s LEU 109 N -6.82 3.85 0.00 1.22 1.43 0.11 -5.00 118.68 113.47 3i1p s LEU 109 Ca -0.09 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3i1p s LEU 109 Cb 0.07 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.73 3i1p s LEU 109 CO 0.84 -0.74 0.00 -0.81 0.23 0.00 0.00 176.35 175.86 3i1p n PRO 110 N -0.94 0.91 0.00 1.29 -0.04 -1.26 -4.89 135.00 130.07 3i1p n PRO 110 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3i1p n PRO 110 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3i1p n PRO 110 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i1p n LYS 111 N -0.78 0.00 0.18 0.54 4.76 -1.26 -3.97 118.16 117.63 3i1p n LYS 111 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1p n LYS 111 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1p n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1p n GLY 112 N 0.00 -1.38 0.10 0.72 0.00 -1.26 -4.72 105.19 98.66 3i1p n GLY 112 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 3i1p n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1p h PRO 113 N 0.00 -0.16 -0.01 1.61 0.11 -1.99 -3.26 132.00 128.29 3i1p h PRO 113 Ca 0.00 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 3i1p h PRO 113 Cb 0.00 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3i1p h PRO 113 CO 0.00 -0.11 -0.56 1.25 -0.21 0.00 0.00 178.00 178.38 3i1p h LEU 114 N -0.86 0.03 -0.88 2.35 5.85 -1.93 -2.56 115.31 117.30 3i1p h LEU 114 Ca -0.02 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3i1p h LEU 114 Cb 0.13 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3i1p h LEU 114 CO 0.03 0.59 0.57 1.23 -0.34 0.00 0.00 178.44 180.51 3i1p h GLY 115 N 1.64 1.29 2.00 3.75 0.00 -1.75 0.23 103.07 110.24 3i1p h GLY 115 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3i1p h GLY 115 CO 0.07 0.36 -0.10 -0.09 0.00 0.00 0.00 176.54 176.79 3i1p h ARG 116 N 1.10 0.00 -0.45 4.80 9.65 -1.57 -3.17 114.38 124.73 3i1p h ARG 116 Ca 0.36 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 59.11 3i1p h ARG 116 Cb 0.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3i1p h ARG 116 CO -0.13 0.10 -0.22 0.00 2.80 0.00 0.00 179.97 182.52 3i1p h ALA 117 N 1.90 0.75 -0.11 2.80 0.00 -0.21 -2.93 119.26 121.47 3i1p h ALA 117 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 3i1p h ALA 117 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3i1p h ALA 117 CO 0.01 0.66 -0.47 0.52 0.00 0.00 0.00 179.25 179.97 3i1p h MET 118 N 0.79 0.27 -0.64 0.00 2.86 -1.09 -3.15 114.93 113.96 3i1p h MET 118 Ca 0.10 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3i1p h MET 118 Cb 0.78 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 3i1p h MET 118 CO 0.06 0.69 0.42 0.35 1.06 0.00 0.00 176.91 179.49 3i1p h PHE 119 N 0.22 0.81 0.00 -0.22 3.04 -1.50 -2.03 116.94 117.26 3i1p h PHE 119 Ca 0.01 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3i1p h PHE 119 Cb 0.92 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.15 3i1p h PHE 119 CO 0.02 0.52 0.65 0.00 -2.02 0.00 0.00 178.31 177.47 3i1p h ARG 120 N 0.87 0.00 -0.59 1.11 3.08 -1.49 0.49 114.38 117.86 3i1p h ARG 120 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3i1p h ARG 120 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3i1p h ARG 120 CO -0.05 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.48 3i1p n LYS 121 N -2.35 2.49 -3.91 0.04 5.02 -0.76 -4.80 118.16 113.88 3i1p n LYS 121 Ca -0.01 -1.53 -0.30 0.00 -2.02 0.00 0.00 58.31 54.46 3i1p n LYS 121 Cb 0.66 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.90 3i1p n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i1p s LEU 122 N -1.23 2.14 0.19 -0.35 2.96 0.17 -1.83 118.68 120.73 3i1p s LEU 122 Ca 0.27 -0.96 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3i1p s LEU 122 Cb 0.18 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 3i1p s LEU 122 CO 0.13 -0.22 0.20 -0.54 -1.32 0.00 0.00 176.35 174.60 3i1p s LYS 123 N 1.50 3.06 0.09 1.98 3.01 -1.24 -5.04 119.74 123.10 3i1p s LYS 123 Ca -0.03 -0.85 0.00 0.00 -1.01 0.00 0.00 55.97 54.08 3i1p s LYS 123 Cb -0.17 -2.71 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 3i1p s LYS 123 CO -0.07 0.47 0.00 1.55 0.51 0.00 0.00 175.35 177.81 3i1p n VAL 124 N -0.68 0.82 -4.98 3.17 3.14 -1.26 -2.08 118.33 116.46 3i1p n VAL 124 Ca -0.08 0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 3i1p n VAL 124 Cb 0.56 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3i1p n VAL 124 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3i1p n TYR 125 N -3.36 -1.02 -2.88 1.45 4.01 -1.26 -3.34 117.16 110.75 3i1p n TYR 125 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3i1p n TYR 125 Cb 0.11 0.20 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 3i1p n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1p s ALA 126 N -1.98 -2.63 0.00 -0.72 0.00 -0.96 -4.29 121.76 111.19 3i1p s ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3i1p s ALA 126 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3i1p s ALA 126 CO 0.00 -2.29 0.00 0.41 0.00 0.00 0.00 175.76 173.88 3i1p n GLY 127 N 3.39 0.33 3.86 0.00 0.00 0.20 -4.81 105.19 108.16 3i1p n GLY 127 Ca 0.14 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3i1p n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1p n ASN 128 N -0.01 -2.62 -3.66 1.61 3.02 -1.26 -4.91 115.26 107.43 3i1p n ASN 128 Ca 0.00 -0.85 -0.07 0.00 -0.03 0.00 0.00 54.58 53.64 3i1p n ASN 128 Cb 0.00 -3.74 -0.08 0.00 -0.61 0.00 0.00 39.78 35.35 3i1p n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3i1p s GLU 129 N -6.39 0.41 -0.09 3.52 4.04 -1.26 -5.14 118.70 113.79 3i1p s GLU 129 Ca 0.32 1.14 -0.06 0.00 0.04 0.00 0.00 54.97 56.41 3i1p s GLU 129 Cb -0.16 0.45 0.03 0.00 0.02 0.00 0.00 34.13 34.47 3i1p s GLU 129 CO 0.84 -0.23 0.21 -3.38 -1.84 0.00 0.00 175.26 170.87 3i1p s HIS 130 N 2.58 -0.26 -1.59 4.83 -3.43 -1.26 -4.58 115.29 111.58 3i1p s HIS 130 Ca -0.04 0.63 0.12 0.00 -0.80 0.00 0.00 55.06 54.98 3i1p s HIS 130 Cb -0.12 0.04 0.41 0.00 -1.43 0.00 0.00 32.58 31.49 3i1p s HIS 130 CO -0.15 -0.17 1.30 0.09 -2.00 0.00 0.00 174.74 173.82 3i1p n ASN 131 N 3.63 2.76 -2.20 7.38 3.02 -1.26 -4.17 115.26 124.41 3i1p n ASN 131 Ca -0.19 -2.16 -0.30 0.00 -0.03 0.00 0.00 54.58 51.90 3i1p n ASN 131 Cb 0.55 -0.38 0.08 0.00 -0.61 0.00 0.00 39.78 39.42 3i1p n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3i1p n HIS 132 N 0.66 3.02 0.65 3.10 8.25 -1.26 -4.61 115.22 125.04 3i1p n HIS 132 Ca 0.15 -2.71 0.13 0.00 -0.26 0.00 0.00 57.72 55.03 3i1p n HIS 132 Cb 0.49 -1.12 0.41 0.00 1.12 0.00 0.00 29.99 30.90 3i1p n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1p n ALA 133 N -0.89 2.30 1.41 -1.41 0.00 -1.26 -2.69 120.51 117.95 3i1p n ALA 133 Ca 0.57 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 54.12 3i1p n ALA 133 Cb 0.81 -1.46 0.73 0.00 0.00 0.00 0.00 19.45 19.53 3i1p n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 134 N -1.77 2.43 -0.72 0.00 0.00 -1.26 -3.36 120.51 115.83 3i1p n ALA 134 Ca 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 134 Cb 0.43 -1.46 0.38 0.00 0.00 0.00 0.00 19.45 18.79 3i1p n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1p n GLN 135 N -1.25 4.12 -4.03 0.00 3.00 -1.10 -4.99 117.38 113.14 3i1p n GLN 135 Ca 0.15 -2.99 -0.42 0.00 -0.01 0.00 0.00 57.00 53.72 3i1p n GLN 135 Cb 0.21 -2.02 0.01 0.00 0.00 0.00 0.00 30.24 28.44 3i1p n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3i1p n GLN 136 N 0.97 -0.58 -2.21 -1.09 1.13 -1.21 -4.71 117.38 109.68 3i1p n GLN 136 Ca 0.27 0.15 -0.39 0.00 -1.94 0.00 0.00 57.00 55.09 3i1p n GLN 136 Cb 1.00 -2.96 -0.01 0.00 0.11 0.00 0.00 30.24 28.37 3i1p n GLN 136 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3i1p s PRO 137 N -7.17 4.00 -0.22 -1.09 0.04 -1.26 -4.74 135.00 124.56 3i1p s PRO 137 Ca 0.43 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 3i1p s PRO 137 Cb -0.22 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3i1p s PRO 137 CO 0.95 -0.39 -0.07 -1.14 0.04 0.00 0.00 177.00 176.39 3i1p s GLN 138 N -2.30 3.18 0.50 4.56 0.74 -0.51 -4.84 119.66 120.99 3i1p s GLN 138 Ca 0.57 -0.75 -0.19 0.00 0.05 0.00 0.00 55.36 55.05 3i1p s GLN 138 Cb -0.33 -2.94 -0.12 0.00 1.10 0.00 0.00 33.01 30.72 3i1p s GLN 138 CO 0.42 -0.25 0.30 1.33 -0.55 0.00 0.00 175.29 176.53 3i1p n VAL 139 N 4.74 1.35 -3.55 1.34 0.24 -1.26 -3.79 118.33 117.40 3i1p n VAL 139 Ca -0.18 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.55 3i1p n VAL 139 Cb 0.50 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.39 3i1p n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3i1p s LEU 140 N 2.52 -0.72 -0.06 1.34 1.98 -0.67 -4.83 118.68 118.23 3i1p s LEU 140 Ca 0.63 0.84 -0.30 0.00 -2.89 0.00 0.00 54.13 52.42 3i1p s LEU 140 Cb -0.51 1.41 -0.02 0.00 0.66 0.00 0.00 46.19 47.73 3i1p s LEU 140 CO 0.59 -0.25 1.06 1.51 -1.89 0.00 0.00 176.35 177.37 3i1p s ASP 141 N 2.63 7.22 0.00 3.68 -4.77 -1.26 -4.41 116.67 119.76 3i1p s ASP 141 Ca 0.03 1.66 0.00 0.00 -3.30 0.00 0.00 52.55 50.93 3i1p s ASP 141 Cb -0.13 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 3i1p s ASP 141 CO -0.14 -0.44 0.00 -0.38 0.70 0.00 0.00 175.17 174.91