#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LYS 2 N 0.00 0.00 -2.31 0.03 0.00 -1.26 -4.81 118.16 109.82 3i1n n LYS 2 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 3i1n n LYS 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 3i1n n LYS 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3i1n s THR 3 N 0.00 3.16 0.48 0.58 -4.23 -1.26 -4.95 115.64 109.42 3i1n s THR 3 Ca 0.00 1.04 -0.20 0.00 -1.18 0.00 0.00 61.69 61.35 3i1n s THR 3 Cb 0.00 -3.61 -0.12 0.00 1.34 0.00 0.00 72.50 70.11 3i1n s THR 3 CO 0.00 0.15 0.44 0.33 -0.54 0.00 0.00 174.62 175.00 3i1n n PHE 4 N 0.41 -0.93 -3.76 3.99 -0.00 -1.26 -5.03 117.46 110.89 3i1n n PHE 4 Ca 0.02 0.53 -0.25 0.00 -0.00 0.00 0.00 57.45 57.75 3i1n n PHE 4 Cb 0.45 -1.93 -0.17 0.00 -0.00 0.00 0.00 39.48 37.83 3i1n n PHE 4 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3i1n s THR 5 N -1.63 0.46 0.14 -2.13 2.01 -1.26 -4.83 115.64 108.39 3i1n s THR 5 Ca 0.64 -0.22 -0.35 0.00 0.31 0.00 0.00 61.69 62.07 3i1n s THR 5 Cb -0.54 -0.79 -0.15 0.00 0.01 0.00 0.00 72.50 71.04 3i1n s THR 5 CO 0.58 0.03 1.49 0.00 -0.69 0.00 0.00 174.62 176.03 3i1n n ALA 6 N 5.10 0.56 -2.77 7.40 0.00 -1.26 -4.96 120.51 124.58 3i1n n ALA 6 Ca -0.08 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 3i1n n ALA 6 Cb 0.49 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 3i1n n ALA 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i1n s LYS 7 N 0.70 2.90 0.41 0.00 -2.85 -1.26 -4.83 119.74 114.80 3i1n s LYS 7 Ca 0.80 -0.71 0.25 0.00 -1.00 0.00 0.00 55.97 55.31 3i1n s LYS 7 Cb -0.77 -2.47 1.34 0.00 -2.06 0.00 0.00 37.83 33.88 3i1n s LYS 7 CO 0.41 0.42 1.63 -1.35 0.10 0.00 0.00 175.35 176.56 3i1n h PRO 8 N 6.02 0.12 -0.88 1.78 0.11 -1.95 -1.04 132.00 136.16 3i1n h PRO 8 Ca -0.36 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.63 3i1n h PRO 8 Cb 1.18 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 3i1n h PRO 8 CO 0.52 0.08 0.15 -1.91 -0.21 0.00 0.00 178.00 176.63 3i1n n GLU 9 N -4.84 2.44 0.00 1.05 4.07 -1.26 -3.95 120.64 118.14 3i1n n GLU 9 Ca 0.36 -1.61 0.00 0.00 -0.06 0.00 0.00 57.16 55.85 3i1n n GLU 9 Cb 1.31 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.91 3i1n n GLU 9 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3i1n n THR 10 N 0.03 0.00 -1.50 6.31 -2.24 -0.41 -5.11 114.28 111.36 3i1n n THR 10 Ca 0.22 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.55 3i1n n THR 10 Cb 0.91 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 3i1n n THR 10 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i1n n VAL 11 N -0.08 1.93 -0.00 2.28 0.31 -1.14 -4.95 118.33 116.68 3i1n n VAL 11 Ca 0.00 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.61 3i1n n VAL 11 Cb 0.00 -0.58 -0.14 0.00 -0.91 0.00 0.00 33.84 32.22 3i1n n VAL 11 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i1n h LYS 12 N 1.40 0.23 0.00 5.55 3.64 -1.94 -3.50 116.57 121.95 3i1n h LYS 12 Ca -0.36 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.62 3i1n h LYS 12 Cb 1.39 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3i1n h LYS 12 CO 0.57 1.19 0.00 0.54 -2.27 0.00 0.00 179.45 179.48 3i1n n ARG 13 N -3.83 0.00 0.00 1.90 5.12 -1.26 -5.00 116.66 113.59 3i1n n ARG 13 Ca -0.28 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 3i1n n ARG 13 Cb 0.93 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.23 3i1n n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3i1n n ASP 14 N 10.34 0.00 -4.75 0.55 10.43 -1.26 -4.53 116.55 127.33 3i1n n ASP 14 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 3i1n n ASP 14 Cb 0.00 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 42.88 3i1n n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3i1n s TRP 15 N -1.27 3.35 0.14 1.24 0.52 -1.26 0.19 118.94 121.86 3i1n s TRP 15 Ca 0.00 0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.43 3i1n s TRP 15 Cb 0.00 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 3i1n s TRP 15 CO 0.00 0.53 0.03 0.71 0.02 0.00 0.00 176.95 178.23 3i1n s TYR 16 N -0.74 0.99 -0.05 -1.98 1.51 0.13 -1.84 117.35 115.36 3i1n s TYR 16 Ca 0.12 -1.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.09 3i1n s TYR 16 Cb -0.12 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3i1n s TYR 16 CO 0.03 -0.38 -0.14 0.08 -1.11 0.00 0.00 175.55 174.03 3i1n s VAL 17 N -3.87 1.23 0.05 0.71 1.01 -0.19 0.24 120.40 119.58 3i1n s VAL 17 Ca 0.23 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3i1n s VAL 17 Cb 0.07 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3i1n s VAL 17 CO 0.02 0.37 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 3i1n s VAL 18 N 0.27 1.89 -0.38 2.92 1.01 0.14 -1.39 120.40 124.86 3i1n s VAL 18 Ca -0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.48 3i1n s VAL 18 Cb -0.12 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.63 3i1n s VAL 18 CO 0.02 0.27 0.25 -0.62 0.00 0.00 0.00 175.10 175.03 3i1n s ASP 19 N -1.23 5.96 0.00 3.32 3.68 -1.26 -0.06 116.67 127.09 3i1n s ASP 19 Ca 0.10 -0.79 0.00 0.00 2.13 0.00 0.00 52.55 53.98 3i1n s ASP 19 Cb -0.09 -2.11 0.00 0.00 -1.45 0.00 0.00 42.92 39.27 3i1n s ASP 19 CO 0.02 -0.37 0.62 0.00 0.13 0.00 0.00 175.17 175.57 3i1n n ALA 20 N 5.10 2.38 -1.00 3.66 0.00 0.23 -4.73 120.51 126.15 3i1n n ALA 20 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3i1n n ALA 20 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3i1n n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1n n THR 21 N -0.15 0.00 0.86 0.00 -1.04 -1.26 -3.38 114.28 109.31 3i1n n THR 21 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1n n THR 21 Cb 0.15 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 3i1n n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1n n GLY 22 N 0.00 -0.08 3.75 3.41 0.00 -1.26 -3.32 105.19 107.69 3i1n n GLY 22 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3i1n n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 23 N -1.66 4.74 -0.69 1.61 1.02 -1.22 -4.40 119.74 119.15 3i1n s LYS 23 Ca 0.00 1.62 -0.27 0.00 0.02 0.00 0.00 55.97 57.34 3i1n s LYS 23 Cb 0.00 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 3i1n s LYS 23 CO 0.00 0.35 1.52 -0.08 -0.92 0.00 0.00 175.35 176.21 3i1n s THR 24 N -1.00 3.57 -0.50 2.17 -1.32 -1.26 -0.64 115.64 116.66 3i1n s THR 24 Ca 0.43 0.32 -0.44 0.00 -1.21 0.00 0.00 61.69 60.80 3i1n s THR 24 Cb -0.28 -4.52 -0.19 0.00 -1.51 0.00 0.00 72.50 65.99 3i1n s THR 24 CO 0.35 -1.48 2.11 -0.11 -2.21 0.00 0.00 174.62 173.28 3i1n n LEU 25 N 10.75 0.82 0.00 9.08 -0.00 0.08 -0.73 117.00 137.01 3i1n n LEU 25 Ca 0.10 0.71 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 3i1n n LEU 25 Cb 0.50 -0.91 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 3i1n n LEU 25 CO 0.71 -0.77 0.00 0.61 -0.00 0.00 0.00 177.39 177.94 3i1n n GLY 26 N 7.24 1.65 0.08 -3.96 0.00 -1.26 -4.75 105.19 104.19 3i1n n GLY 26 Ca 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 3i1n n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n n ARG 27 N -0.11 0.64 0.02 1.61 1.74 0.10 -3.14 116.66 117.52 3i1n n ARG 27 Ca 0.00 0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 57.01 3i1n n ARG 27 Cb 0.00 -1.70 -0.12 0.00 -1.02 0.00 0.00 32.46 29.61 3i1n n ARG 27 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i1n h LEU 28 N 0.00 0.52 -0.33 0.55 5.85 -1.79 -3.27 115.31 116.84 3i1n h LEU 28 Ca -0.23 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.72 3i1n h LEU 28 Cb 1.65 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 3i1n h LEU 28 CO 0.04 1.30 -0.05 0.00 -0.34 0.00 0.00 178.44 179.39 3i1n h ALA 29 N 0.23 0.25 -0.86 1.25 0.00 -1.82 -0.23 119.26 118.07 3i1n h ALA 29 Ca -0.10 0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.09 3i1n h ALA 29 Cb 1.46 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 19.30 3i1n h ALA 29 CO 0.14 -0.44 -0.23 1.15 0.00 0.00 0.00 179.25 179.86 3i1n h THR 30 N 0.03 0.13 0.13 0.00 2.02 -1.65 -0.90 112.91 112.67 3i1n h THR 30 Ca 0.16 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.05 3i1n h THR 30 Cb 0.23 0.13 0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3i1n h THR 30 CO -0.31 0.00 -1.24 -0.33 0.37 0.00 0.00 175.52 174.01 3i1n h GLU 31 N -0.01 0.47 -0.58 6.66 4.39 -1.21 -2.94 114.58 121.35 3i1n h GLU 31 Ca 0.40 -0.68 0.08 0.00 0.34 0.00 0.00 59.36 59.51 3i1n h GLU 31 Cb 0.62 0.23 -0.10 0.00 -0.10 0.00 0.00 28.75 29.40 3i1n h GLU 31 CO -0.88 1.30 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.75 3i1n h LEU 32 N 0.18 -1.55 -1.60 1.33 3.38 -0.71 -2.00 115.31 114.35 3i1n h LEU 32 Ca -0.17 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3i1n h LEU 32 Cb 1.93 0.70 -0.03 0.00 0.09 0.00 0.00 40.66 43.35 3i1n h LEU 32 CO 0.22 -0.34 0.36 0.00 0.09 0.00 0.00 178.44 178.77 3i1n h ALA 33 N 0.57 1.87 0.09 1.53 0.00 -1.10 0.53 119.26 122.75 3i1n h ALA 33 Ca 0.17 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 3i1n h ALA 33 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3i1n h ALA 33 CO -0.69 0.04 -1.16 0.07 0.00 0.00 0.00 179.25 177.51 3i1n h ARG 34 N 0.49 0.26 -0.08 0.00 0.11 -1.20 -1.50 114.38 112.46 3i1n h ARG 34 Ca 0.23 -0.41 -0.05 0.00 0.10 0.00 0.00 59.98 59.85 3i1n h ARG 34 Cb 0.28 0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3i1n h ARG 34 CO -0.06 1.17 -0.16 0.00 0.10 0.00 0.00 179.97 181.02 3i1n h ARG 35 N 0.09 0.25 -1.85 0.08 3.08 -1.05 0.97 114.38 115.95 3i1n h ARG 35 Ca -0.11 -0.16 0.55 0.00 0.07 0.00 0.00 59.98 60.33 3i1n h ARG 35 Cb 1.88 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.85 3i1n h ARG 35 CO 0.19 0.75 1.31 -0.07 -1.07 0.00 0.00 179.97 181.08 3i1n h LEU 36 N -0.21 0.04 -0.11 3.04 4.07 0.07 -1.54 115.31 120.67 3i1n h LEU 36 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3i1n h LEU 36 Cb 0.73 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.51 3i1n h LEU 36 CO 0.04 -0.05 -0.78 -1.14 -1.08 0.00 0.00 178.44 175.42 3i1n n ARG 37 N -4.10 1.19 -0.78 1.13 0.63 -0.47 -4.13 116.66 110.12 3i1n n ARG 37 Ca 0.44 -0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 3i1n n ARG 37 Cb 1.92 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 33.50 3i1n n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1n n GLY 38 N 1.40 0.85 0.00 5.14 0.00 -0.25 -3.91 105.19 108.42 3i1n n GLY 38 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i1n n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1n n LYS 39 N -2.12 0.00 -2.34 1.61 4.81 0.17 -2.51 118.16 117.79 3i1n n LYS 39 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 3i1n n LYS 39 Cb 0.00 -1.03 0.01 0.00 0.02 0.00 0.00 35.03 34.03 3i1n n LYS 39 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3i1n n HIS 40 N -0.46 2.96 0.00 5.64 1.44 -1.26 -4.92 115.22 118.61 3i1n n HIS 40 Ca 0.00 -2.73 0.00 0.00 -2.01 0.00 0.00 57.72 52.98 3i1n n HIS 40 Cb 0.00 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 29.91 3i1n n HIS 40 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 3i1n n LYS 41 N -0.55 0.00 -1.73 -1.40 2.85 -1.05 -4.95 118.16 111.34 3i1n n LYS 41 Ca 0.38 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.55 3i1n n LYS 41 Cb 0.79 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 35.25 3i1n n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1n n ALA 42 N -3.00 3.91 0.04 0.58 0.00 -1.26 -4.81 120.51 115.96 3i1n n ALA 42 Ca 0.00 -3.31 -0.15 0.00 0.00 0.00 0.00 53.44 49.99 3i1n n ALA 42 Cb 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 3i1n n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i1n h GLU 43 N 1.81 -0.59 -0.63 0.00 4.22 -1.92 -3.37 114.58 114.10 3i1n h GLU 43 Ca 0.11 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.59 3i1n h GLU 43 Cb 1.39 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3i1n h GLU 43 CO 0.38 -0.39 0.00 0.98 -2.18 0.00 0.00 179.01 177.79 3i1n n TYR 44 N -5.25 0.00 0.00 0.92 4.19 -1.26 -3.62 117.16 112.13 3i1n n TYR 44 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 3i1n n TYR 44 Cb 0.37 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.20 3i1n n TYR 44 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3i1n n THR 45 N -0.02 0.00 1.78 2.97 5.66 -1.26 -4.14 114.28 119.27 3i1n n THR 45 Ca 0.00 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 3i1n n THR 45 Cb 0.00 0.00 0.87 0.00 -1.55 0.00 0.00 70.33 69.65 3i1n n THR 45 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i1n n PRO 46 N 0.00 0.82 0.00 1.09 -0.02 -1.24 -2.41 135.00 133.23 3i1n n PRO 46 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3i1n n PRO 46 Cb 0.00 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.15 3i1n n PRO 46 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3i1n n HIS 47 N -1.08 0.00 -5.07 6.00 1.44 -1.26 -4.89 115.22 110.36 3i1n n HIS 47 Ca 0.21 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.59 3i1n n HIS 47 Cb 0.14 -0.14 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 3i1n n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3i1n s VAL 48 N -2.84 2.45 -0.47 0.61 1.01 -1.01 -5.02 120.40 115.12 3i1n s VAL 48 Ca 0.14 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 3i1n s VAL 48 Cb 0.18 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3i1n s VAL 48 CO 0.69 0.56 1.63 -0.62 0.00 0.00 0.00 175.10 177.35 3i1n s ASP 49 N 0.10 5.90 0.00 3.32 3.68 -1.26 -4.79 116.67 123.62 3i1n s ASP 49 Ca -0.10 0.71 0.20 0.00 2.13 0.00 0.00 52.55 55.50 3i1n s ASP 49 Cb -0.16 -2.53 0.17 0.00 -1.45 0.00 0.00 42.92 38.95 3i1n s ASP 49 CO 0.06 -1.81 1.15 0.35 0.13 0.00 0.00 175.17 175.05 3i1n n THR 50 N 7.15 0.01 -1.08 1.71 -2.24 -1.26 -4.98 114.28 113.60 3i1n n THR 50 Ca 0.18 -0.51 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 3i1n n THR 50 Cb 0.49 1.41 0.15 0.00 -2.10 0.00 0.00 70.33 70.28 3i1n n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i1n s GLY 51 N -1.69 1.62 0.59 3.38 0.00 -1.25 -4.47 107.32 105.50 3i1n s GLY 51 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 3i1n s GLY 51 CO 0.26 0.53 0.84 0.99 0.00 0.00 0.00 173.10 175.72 3i1n s ASP 52 N -3.23 5.16 -0.25 1.64 -0.00 -0.77 -4.46 116.67 114.76 3i1n s ASP 52 Ca 0.64 0.14 -0.14 0.00 -0.00 0.00 0.00 52.55 53.19 3i1n s ASP 52 Cb -0.19 -0.96 -0.04 0.00 -0.00 0.00 0.00 42.92 41.72 3i1n s ASP 52 CO 0.58 -1.26 0.31 -0.31 -0.00 0.00 0.00 175.17 174.48 3i1n s TYR 53 N -2.90 3.28 -0.14 4.23 2.02 0.13 -4.46 117.35 119.51 3i1n s TYR 53 Ca 0.58 0.37 0.02 0.00 -0.37 0.00 0.00 57.07 57.67 3i1n s TYR 53 Cb -0.10 -2.47 0.01 0.00 -0.40 0.00 0.00 41.96 39.00 3i1n s TYR 53 CO 0.40 -0.12 -0.19 0.96 -1.57 0.00 0.00 175.55 175.04 3i1n s ILE 54 N 1.67 1.86 -0.26 2.71 -5.25 -0.97 0.17 121.20 121.14 3i1n s ILE 54 Ca 0.13 -0.85 -0.19 0.00 -0.99 0.00 0.00 60.65 58.76 3i1n s ILE 54 Cb -0.15 -1.68 -0.02 0.00 2.95 0.00 0.00 42.46 43.56 3i1n s ILE 54 CO 0.09 0.51 0.56 0.27 -1.79 0.00 0.00 174.94 174.58 3i1n s ILE 55 N 1.05 5.03 0.36 8.37 -5.25 0.14 -2.02 121.20 128.88 3i1n s ILE 55 Ca -0.03 0.99 -0.05 0.00 -0.99 0.00 0.00 60.65 60.57 3i1n s ILE 55 Cb -0.14 -3.87 -0.05 0.00 2.95 0.00 0.00 42.46 41.35 3i1n s ILE 55 CO -0.05 0.06 0.64 -0.69 -1.79 0.00 0.00 174.94 173.11 3i1n s VAL 56 N 2.38 4.98 -0.02 8.37 1.01 0.17 0.29 120.40 137.57 3i1n s VAL 56 Ca 0.23 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 3i1n s VAL 56 Cb -0.16 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3i1n s VAL 56 CO 0.09 -0.51 0.12 -0.22 0.00 0.00 0.00 175.10 174.57 3i1n s LEU 57 N -4.00 1.60 -1.26 3.92 2.96 0.92 -4.18 118.68 118.64 3i1n s LEU 57 Ca 0.45 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3i1n s LEU 57 Cb -0.10 0.50 0.00 0.00 0.50 0.00 0.00 46.19 47.09 3i1n s LEU 57 CO 0.34 -0.20 1.04 0.59 -1.32 0.00 0.00 176.35 176.80 3i1n n ASN 58 N 2.24 -3.26 -0.30 3.68 4.13 0.28 0.76 115.26 122.78 3i1n n ASN 58 Ca -0.18 -0.61 0.02 0.00 1.68 0.00 0.00 54.58 55.49 3i1n n ASN 58 Cb 0.57 -5.03 0.16 0.00 -1.54 0.00 0.00 39.78 33.94 3i1n n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1n h ALA 59 N 0.93 1.18 0.00 5.41 0.00 -1.38 -2.22 119.26 123.19 3i1n h ALA 59 Ca -0.59 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3i1n h ALA 59 Cb 1.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i1n h ALA 59 CO 0.52 0.18 0.04 -0.40 0.00 0.00 0.00 179.25 179.60 3i1n n ASP 60 N -4.68 0.00 -0.34 0.00 5.68 -1.23 0.14 116.55 116.11 3i1n n ASP 60 Ca 0.13 0.20 0.03 0.00 -0.50 0.00 0.00 54.79 54.65 3i1n n ASP 60 Cb 0.23 -0.20 0.07 0.00 -1.14 0.00 0.00 41.12 40.09 3i1n n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3i1n n LYS 61 N -1.15 2.10 -1.65 0.11 5.02 -0.83 -5.03 118.16 116.73 3i1n n LYS 61 Ca 0.00 -1.56 -0.39 0.00 -2.02 0.00 0.00 58.31 54.34 3i1n n LYS 61 Cb 0.04 -1.15 0.04 0.00 -0.02 0.00 0.00 35.03 33.94 3i1n n LYS 61 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3i1n n VAL 62 N 0.16 3.40 -4.11 -0.18 3.14 0.12 -4.15 118.33 116.72 3i1n n VAL 62 Ca 0.06 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.70 3i1n n VAL 62 Cb 0.30 -1.30 -0.05 0.00 -1.06 0.00 0.00 33.84 31.73 3i1n n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1n s ALA 63 N -1.39 3.56 0.03 1.55 0.00 0.19 -4.91 121.76 120.79 3i1n s ALA 63 Ca 0.71 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3i1n s ALA 63 Cb -0.45 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3i1n s ALA 63 CO 0.50 0.38 0.00 1.55 0.00 0.00 0.00 175.76 178.19 3i1n n VAL 64 N -0.75 0.32 0.00 0.00 3.14 -1.26 -0.74 118.33 119.04 3i1n n VAL 64 Ca -0.08 0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3i1n n VAL 64 Cb 0.56 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3i1n n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3i1n n THR 65 N -3.11 0.00 -4.28 1.55 5.66 -1.26 -4.79 114.28 108.05 3i1n n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i1n n THR 65 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 3i1n n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1n n GLY 66 N 1.21 2.25 1.02 1.09 0.00 -1.26 -2.57 105.19 106.93 3i1n n GLY 66 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.69 3i1n n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1n n ASN 67 N -0.52 3.43 -0.45 1.61 4.13 -1.26 -4.71 115.26 117.49 3i1n n ASN 67 Ca 0.00 -1.98 0.41 0.00 1.68 0.00 0.00 54.58 54.69 3i1n n ASN 67 Cb 0.00 -0.35 0.76 0.00 -1.54 0.00 0.00 39.78 38.66 3i1n n ASN 67 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3i1n h LYS 68 N 3.34 0.02 -0.36 3.52 1.57 -1.86 -1.70 116.57 121.09 3i1n h LYS 68 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i1n h LYS 68 Cb 0.87 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3i1n h LYS 68 CO 0.00 0.01 0.24 -0.09 -0.57 0.00 0.00 179.45 179.04 3i1n h ARG 69 N 0.02 0.48 -0.00 3.15 2.43 -1.84 -2.43 114.38 116.18 3i1n h ARG 69 Ca 0.70 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 3i1n h ARG 69 Cb 2.73 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 32.17 3i1n h ARG 69 CO -0.04 0.32 -0.02 0.25 -1.51 0.00 0.00 179.97 178.97 3i1n n THR 70 N -4.48 0.00 0.00 0.20 -2.24 -0.67 -0.30 114.28 106.79 3i1n n THR 70 Ca 0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3i1n n THR 70 Cb 0.06 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.34 3i1n n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i1n n ASP 71 N -0.05 1.76 -4.85 3.42 10.43 -1.04 -4.83 116.55 121.40 3i1n n ASP 71 Ca 0.01 -1.72 -0.30 0.00 2.57 0.00 0.00 54.79 55.36 3i1n n ASP 71 Cb 0.06 -0.01 0.07 0.00 1.84 0.00 0.00 41.12 43.08 3i1n n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3i1n s LYS 72 N -0.73 2.38 -0.01 -1.24 1.02 -0.94 -4.94 119.74 115.28 3i1n s LYS 72 Ca 0.01 0.49 -0.00 0.00 0.02 0.00 0.00 55.97 56.49 3i1n s LYS 72 Cb 0.01 -1.96 -0.00 0.00 -0.52 0.00 0.00 37.83 35.35 3i1n s LYS 72 CO 0.01 -1.38 0.05 -0.39 -0.92 0.00 0.00 175.35 172.72 3i1n h VAL 73 N -0.91 0.00 -5.01 3.17 -1.51 -1.91 -3.41 116.25 106.67 3i1n h VAL 73 Ca -0.46 -0.06 -0.22 0.00 -1.23 0.00 0.00 66.70 64.73 3i1n h VAL 73 Cb 1.27 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 3i1n h VAL 73 CO 0.62 0.00 -0.57 -1.22 -1.23 0.00 0.00 177.57 175.18 3i1n n TYR 74 N -2.19 -1.14 -3.81 5.19 4.02 -1.24 -3.82 117.16 114.18 3i1n n TYR 74 Ca -0.00 0.47 -0.34 0.00 -0.01 0.00 0.00 57.90 58.02 3i1n n TYR 74 Cb 0.00 -1.07 -0.05 0.00 -0.02 0.00 0.00 39.34 38.20 3i1n n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3i1n s TYR 75 N -1.57 3.57 0.10 -0.72 2.02 -1.26 -0.92 117.35 118.57 3i1n s TYR 75 Ca 0.10 0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 57.13 3i1n s TYR 75 Cb -0.01 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.65 3i1n s TYR 75 CO 0.43 0.62 0.39 -3.38 -1.57 0.00 0.00 175.55 172.04 3i1n s HIS 76 N -1.31 -0.20 -0.09 2.71 -3.43 -0.79 -4.99 115.29 107.19 3i1n s HIS 76 Ca 0.28 -0.06 0.03 0.00 -0.80 0.00 0.00 55.06 54.51 3i1n s HIS 76 Cb -0.13 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 3i1n s HIS 76 CO 0.17 -0.66 -0.20 -1.58 -2.00 0.00 0.00 174.74 170.46 3i1n s HIS 77 N -3.50 2.23 -0.23 0.38 2.46 -1.26 -1.72 115.29 113.64 3i1n s HIS 77 Ca 0.01 -0.90 0.28 0.00 0.47 0.00 0.00 55.06 54.93 3i1n s HIS 77 Cb 0.01 -1.52 1.10 0.00 -0.13 0.00 0.00 32.58 32.04 3i1n s HIS 77 CO -0.10 -0.38 1.84 1.79 -2.47 0.00 0.00 174.74 175.42 3i1n h THR 78 N 5.79 0.00 0.00 0.89 1.35 -1.25 -3.45 112.91 116.23 3i1n h THR 78 Ca -0.23 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3i1n h THR 78 Cb 1.22 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3i1n h THR 78 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3i1n n GLY 79 N 0.21 0.73 3.95 5.82 0.00 -1.26 -5.05 105.19 109.58 3i1n n GLY 79 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3i1n n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1n s HIS 80 N -2.59 2.29 0.00 1.61 3.76 -1.26 -4.96 115.29 114.15 3i1n s HIS 80 Ca 0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 3i1n s HIS 80 Cb 0.00 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.50 3i1n s HIS 80 CO 0.00 -0.47 0.00 1.51 -0.85 0.00 0.00 174.74 174.93 3i1n n ILE 81 N -1.81 0.00 -2.97 0.60 3.06 -1.26 -0.07 119.36 116.91 3i1n n ILE 81 Ca 0.06 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.16 3i1n n ILE 81 Cb 0.61 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.80 3i1n n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i1n n GLY 82 N 0.00 1.75 2.90 4.50 0.00 -1.26 -5.09 105.19 107.99 3i1n n GLY 82 Ca 0.00 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3i1n n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 83 N 1.07 4.88 3.38 -0.02 0.00 0.90 -4.88 105.19 110.52 3i1n n GLY 83 Ca 0.15 -2.25 -0.45 0.00 0.00 0.00 0.00 46.02 43.48 3i1n n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1n s ILE 84 N -0.46 5.52 0.73 -0.61 1.10 -1.26 -0.61 121.20 125.61 3i1n s ILE 84 Ca 0.37 -2.78 -0.14 0.00 -0.51 0.00 0.00 60.65 57.59 3i1n s ILE 84 Cb 0.08 -4.67 0.04 0.00 0.15 0.00 0.00 42.46 38.06 3i1n s ILE 84 CO 0.03 -1.30 1.16 -0.54 -2.11 0.00 0.00 174.94 172.18 3i1n s LYS 85 N 0.26 2.25 -0.26 3.50 -0.14 -0.70 -4.94 119.74 119.71 3i1n s LYS 85 Ca 0.31 1.56 -0.26 0.00 -1.36 0.00 0.00 55.97 56.22 3i1n s LYS 85 Cb -0.08 -1.87 0.11 0.00 -1.68 0.00 0.00 37.83 34.32 3i1n s LYS 85 CO -0.06 -1.71 0.96 1.14 -0.76 0.00 0.00 175.35 174.91 3i1n s GLN 86 N -4.14 0.60 -0.01 1.68 1.03 -1.26 -1.88 119.66 115.68 3i1n s GLN 86 Ca 0.70 0.62 -0.17 0.00 0.04 0.00 0.00 55.36 56.55 3i1n s GLN 86 Cb -0.24 0.29 0.03 0.00 0.03 0.00 0.00 33.01 33.12 3i1n s GLN 86 CO 0.46 -0.09 0.37 0.00 -2.54 0.00 0.00 175.29 173.50 3i1n s ALA 87 N 0.08 -0.94 0.78 2.60 0.00 -0.09 -4.99 121.76 119.20 3i1n s ALA 87 Ca 0.02 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 3i1n s ALA 87 Cb -0.04 0.12 0.11 0.00 0.00 0.00 0.00 23.12 23.30 3i1n s ALA 87 CO -0.03 -0.31 1.10 -0.08 0.00 0.00 0.00 175.76 176.44 3i1n s THR 88 N -1.55 2.16 0.01 0.00 -1.32 -1.26 -3.69 115.64 109.99 3i1n s THR 88 Ca -0.12 -0.24 -0.16 0.00 -1.21 0.00 0.00 61.69 59.96 3i1n s THR 88 Cb -0.04 -2.91 -0.09 0.00 -1.51 0.00 0.00 72.50 67.95 3i1n s THR 88 CO 0.04 0.00 1.01 0.15 -2.21 0.00 0.00 174.62 173.61 3i1n h PHE 89 N -0.89 -0.52 -1.25 9.09 3.04 -1.78 -0.38 116.94 124.25 3i1n h PHE 89 Ca -0.43 -0.01 0.38 0.00 3.98 0.00 0.00 57.97 61.89 3i1n h PHE 89 Cb 1.29 0.17 -0.10 0.00 2.56 0.00 0.00 35.95 39.86 3i1n h PHE 89 CO -0.16 -0.32 0.83 1.05 -2.02 0.00 0.00 178.31 177.68 3i1n h GLU 90 N -0.68 0.17 -0.44 1.11 4.11 -0.96 0.10 114.58 117.99 3i1n h GLU 90 Ca -0.06 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 3i1n h GLU 90 Cb 0.43 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3i1n h GLU 90 CO 0.09 0.11 -0.09 0.93 0.07 0.00 0.00 179.01 180.13 3i1n h GLU 91 N 0.17 0.83 -0.04 1.06 5.08 -1.72 -1.52 114.58 118.44 3i1n h GLU 91 Ca 0.72 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 3i1n h GLU 91 Cb 2.26 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.46 3i1n h GLU 91 CO -0.31 0.94 -0.01 0.52 -1.00 0.00 0.00 179.01 179.15 3i1n h MET 92 N 0.66 0.07 -0.80 2.33 2.86 0.89 -2.22 114.93 118.72 3i1n h MET 92 Ca 0.11 -0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.92 3i1n h MET 92 Cb 0.62 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 3i1n h MET 92 CO 0.04 0.42 0.55 0.82 1.06 0.00 0.00 176.91 179.80 3i1n h ILE 93 N -0.28 0.69 0.57 -1.22 1.08 -1.25 -2.74 117.51 114.35 3i1n h ILE 93 Ca 0.01 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3i1n h ILE 93 Cb 0.40 0.42 0.01 0.00 -3.07 0.00 0.00 36.82 34.57 3i1n h ILE 93 CO 0.00 0.05 -0.27 0.00 -0.69 0.00 0.00 178.15 177.24 3i1n h ALA 94 N 1.63 -0.76 -2.35 1.87 0.00 -0.68 -3.32 119.26 115.65 3i1n h ALA 94 Ca 0.40 -0.20 -0.74 0.00 0.00 0.00 0.00 54.91 54.37 3i1n h ALA 94 Cb 1.19 0.29 -0.25 0.00 0.00 0.00 0.00 17.79 19.02 3i1n h ALA 94 CO -0.10 -0.78 -0.32 -0.98 0.00 0.00 0.00 179.25 177.08 3i1n s ARG 95 N -4.71 2.84 -0.28 0.00 1.70 -0.97 -4.80 118.95 112.72 3i1n s ARG 95 Ca -0.14 -1.58 -0.07 0.00 -0.47 0.00 0.00 55.73 53.47 3i1n s ARG 95 Cb 0.02 -4.11 0.01 0.00 -0.57 0.00 0.00 34.95 30.30 3i1n s ARG 95 CO 0.47 -1.16 0.28 0.54 -1.08 0.00 0.00 175.30 174.34 3i1n n ARG 96 N 5.13 -2.07 -0.02 3.89 1.74 -1.22 -4.74 116.66 119.36 3i1n n ARG 96 Ca -0.12 1.89 -0.01 0.00 -0.77 0.00 0.00 57.85 58.84 3i1n n ARG 96 Cb 0.42 -4.46 0.26 0.00 -1.02 0.00 0.00 32.46 27.65 3i1n n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3i1n h PRO 97 N 1.77 0.57 -0.23 5.56 0.11 -1.64 -3.17 132.00 134.96 3i1n h PRO 97 Ca 0.00 -0.14 0.07 0.00 0.11 0.00 0.00 66.00 66.04 3i1n h PRO 97 Cb 0.46 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3i1n h PRO 97 CO 0.12 0.62 0.61 0.93 -0.21 0.00 0.00 178.00 180.06 3i1n h GLU 98 N 0.54 0.00 -0.19 1.05 3.07 -1.91 0.29 114.58 117.43 3i1n h GLU 98 Ca 0.11 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 3i1n h GLU 98 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3i1n h GLU 98 CO 0.02 0.00 -0.13 -0.09 -1.40 0.00 0.00 179.01 177.41 3i1n h ARG 99 N 0.00 0.43 -0.40 2.33 9.65 -1.91 -2.80 114.38 121.68 3i1n h ARG 99 Ca 0.11 -0.20 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 3i1n h ARG 99 Cb 1.32 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.82 3i1n h ARG 99 CO -0.00 0.75 -0.11 0.28 2.80 0.00 0.00 179.97 183.69 3i1n h VAL 100 N 0.10 0.58 0.04 0.20 2.07 -1.17 0.27 116.25 118.35 3i1n h VAL 100 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3i1n h VAL 100 Cb 0.64 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3i1n h VAL 100 CO 0.04 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 178.00 3i1n h ILE 101 N -0.01 1.16 -0.18 4.57 1.08 -1.70 -2.17 117.51 120.26 3i1n h ILE 101 Ca 0.19 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 64.04 3i1n h ILE 101 Cb 0.31 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.59 3i1n h ILE 101 CO -0.42 0.16 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.43 3i1n h GLU 102 N -0.34 -0.41 -0.49 2.37 5.08 -1.15 -0.77 114.58 118.86 3i1n h GLU 102 Ca -0.01 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3i1n h GLU 102 Cb 0.31 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3i1n h GLU 102 CO 0.01 -0.28 0.34 -0.84 -1.00 0.00 0.00 179.01 177.24 3i1n h ILE 103 N -0.43 0.87 0.45 3.13 -0.00 -0.46 0.03 117.51 121.10 3i1n h ILE 103 Ca 0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 64.86 64.79 3i1n h ILE 103 Cb 0.53 0.61 0.00 0.00 -0.00 0.00 0.00 36.82 37.97 3i1n h ILE 103 CO -0.40 0.04 -0.22 0.00 -0.00 0.00 0.00 178.15 177.58 3i1n h ALA 104 N 1.75 -0.61 0.00 0.16 0.00 -0.66 -2.25 119.26 117.64 3i1n h ALA 104 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i1n h ALA 104 Cb 0.59 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i1n h ALA 104 CO -0.04 -0.60 -0.10 -0.39 0.00 0.00 0.00 179.25 178.12 3i1n h VAL 105 N -1.09 0.22 0.04 0.00 -1.51 -0.71 -1.78 116.25 111.42 3i1n h VAL 105 Ca -0.06 -0.87 -0.00 0.00 -1.23 0.00 0.00 66.70 64.54 3i1n h VAL 105 Cb 0.54 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3i1n h VAL 105 CO 0.10 0.09 -0.02 0.50 -1.23 0.00 0.00 177.57 177.02 3i1n h LYS 106 N 0.00 -0.05 0.00 5.19 3.64 -0.99 -1.14 116.57 123.22 3i1n h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1n h LYS 106 Cb 0.71 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3i1n h LYS 106 CO 0.01 0.02 0.23 0.78 -2.27 0.00 0.00 179.45 178.22 3i1n h GLY 107 N -0.10 0.00 -0.32 5.01 0.00 -0.69 -1.69 103.07 105.27 3i1n h GLY 107 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3i1n h GLY 107 CO 0.01 0.00 -0.77 1.03 0.00 0.00 0.00 176.54 176.81 3i1n n MET 108 N -2.83 0.47 -4.03 4.80 2.81 -0.47 -4.91 117.12 112.97 3i1n n MET 108 Ca -0.02 -0.38 -0.31 0.00 -1.81 0.00 0.00 57.70 55.17 3i1n n MET 108 Cb 0.28 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.24 3i1n n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i1n s LEU 109 N -2.79 3.99 0.74 4.03 1.43 -0.64 -5.01 118.68 120.42 3i1n s LEU 109 Ca 0.12 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 3i1n s LEU 109 Cb 0.17 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.90 3i1n s LEU 109 CO 0.74 0.20 1.24 -2.16 0.23 0.00 0.00 176.35 176.61 3i1n s PRO 110 N -2.21 2.00 0.00 1.29 0.04 -1.26 -4.96 135.00 129.89 3i1n s PRO 110 Ca 0.29 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3i1n s PRO 110 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3i1n s PRO 110 CO 0.21 -1.97 0.00 0.36 0.04 0.00 0.00 177.00 175.64 3i1n n LYS 111 N -2.75 0.00 0.00 4.56 -0.00 -1.26 -4.20 118.16 114.51 3i1n n LYS 111 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 3i1n n LYS 111 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 3i1n n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1n n GLY 112 N 0.00 0.95 0.12 2.58 0.00 -1.26 -4.71 105.19 102.87 3i1n n GLY 112 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i1n n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1n n PRO 113 N 0.00 -0.13 0.49 1.61 -0.02 -1.26 -0.30 135.00 135.39 3i1n n PRO 113 Ca 0.00 1.14 -0.19 0.00 -2.02 0.00 0.00 63.50 62.43 3i1n n PRO 113 Cb 0.00 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 3i1n n PRO 113 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i1n h LEU 114 N 0.00 -1.07 -0.93 2.45 6.46 -1.94 -2.31 115.31 117.97 3i1n h LEU 114 Ca 0.05 0.04 0.16 0.00 -0.12 0.00 0.00 57.88 58.01 3i1n h LEU 114 Cb 0.12 0.28 -0.16 0.00 -0.73 0.00 0.00 40.66 40.16 3i1n h LEU 114 CO -0.27 -0.72 -0.30 0.61 -0.62 0.00 0.00 178.44 177.14 3i1n n GLY 115 N -1.40 -1.73 0.32 3.75 0.00 -0.95 0.16 105.19 105.33 3i1n n GLY 115 Ca -0.16 1.02 0.05 0.00 0.00 0.00 0.00 46.02 46.93 3i1n n GLY 115 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i1n h ARG 116 N 0.00 0.58 -0.53 1.61 3.08 -0.54 -1.18 114.38 117.40 3i1n h ARG 116 Ca 0.39 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.33 3i1n h ARG 116 Cb 0.62 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3i1n h ARG 116 CO -0.94 0.38 0.06 0.00 -1.07 0.00 0.00 179.97 178.40 3i1n h ALA 117 N 1.71 0.70 -0.63 0.04 0.00 0.21 -3.03 119.26 118.26 3i1n h ALA 117 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3i1n h ALA 117 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3i1n h ALA 117 CO -0.04 0.47 0.07 0.52 0.00 0.00 0.00 179.25 180.27 3i1n h MET 118 N 0.77 1.06 0.00 0.00 2.86 0.14 -2.05 114.93 117.71 3i1n h MET 118 Ca 0.16 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3i1n h MET 118 Cb 0.44 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 3i1n h MET 118 CO 0.02 0.99 -0.01 0.35 1.06 0.00 0.00 176.91 179.32 3i1n h PHE 119 N 0.99 0.00 0.00 -0.22 3.04 -1.17 -2.35 116.94 117.23 3i1n h PHE 119 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3i1n h PHE 119 Cb 0.46 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.97 3i1n h PHE 119 CO 0.03 0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.33 3i1n h ARG 120 N 0.00 0.00 -0.43 1.11 3.08 -1.25 -2.77 114.38 114.12 3i1n h ARG 120 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i1n h ARG 120 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3i1n h ARG 120 CO 0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 3i1n n LYS 121 N -2.80 1.74 -3.85 0.04 5.02 -0.88 -4.76 118.16 112.66 3i1n n LYS 121 Ca 0.01 -0.87 -0.36 0.00 -2.02 0.00 0.00 58.31 55.07 3i1n n LYS 121 Cb 0.29 -1.35 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 3i1n n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i1n s LEU 122 N -0.95 4.12 -0.35 -0.35 2.96 -1.05 -2.29 118.68 120.77 3i1n s LEU 122 Ca 0.16 -1.28 -0.07 0.00 -0.22 0.00 0.00 54.13 52.72 3i1n s LEU 122 Cb 0.09 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 45.06 3i1n s LEU 122 CO 0.09 -0.30 0.13 -0.54 -1.32 0.00 0.00 176.35 174.41 3i1n s LYS 123 N 1.29 2.61 -0.04 1.98 3.01 -0.86 -4.99 119.74 122.74 3i1n s LYS 123 Ca -0.03 -1.23 -0.02 0.00 -1.01 0.00 0.00 55.97 53.68 3i1n s LYS 123 Cb -0.20 -3.52 -0.01 0.00 -1.01 0.00 0.00 37.83 33.10 3i1n s LYS 123 CO -0.00 -0.72 -0.04 -0.39 0.51 0.00 0.00 175.35 174.71 3i1n h VAL 124 N 6.15 0.00 -2.97 3.17 -1.51 -1.86 0.50 116.25 119.73 3i1n h VAL 124 Ca -0.23 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 3i1n h VAL 124 Cb 1.08 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 3i1n h VAL 124 CO 0.63 0.00 -0.54 -1.22 -1.23 0.00 0.00 177.57 175.21 3i1n n TYR 125 N -2.98 -2.78 0.22 5.19 4.01 -1.26 -3.35 117.16 116.22 3i1n n TYR 125 Ca -0.02 1.67 0.11 0.00 -0.16 0.00 0.00 57.90 59.51 3i1n n TYR 125 Cb 0.06 -2.97 0.36 0.00 -0.31 0.00 0.00 39.34 36.48 3i1n n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1n h ALA 126 N 2.41 0.95 -3.00 -0.72 0.00 -1.93 -2.82 119.26 114.15 3i1n h ALA 126 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i1n h ALA 126 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i1n h ALA 126 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3i1n n GLY 127 N 0.59 1.30 0.05 0.00 0.00 -1.26 -2.94 105.19 102.93 3i1n n GLY 127 Ca 0.02 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3i1n n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1n n ASN 128 N 0.00 2.05 -3.93 1.61 4.05 -1.26 0.10 115.26 117.88 3i1n n ASN 128 Ca 0.00 -1.98 -0.10 0.00 0.45 0.00 0.00 54.58 52.95 3i1n n ASN 128 Cb 0.00 -0.02 -0.06 0.00 1.23 0.00 0.00 39.78 40.93 3i1n n ASN 128 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3i1n s GLU 129 N -0.98 1.53 0.12 1.20 4.04 -1.26 -4.97 118.70 118.38 3i1n s GLU 129 Ca 0.02 -1.40 -0.10 0.00 0.04 0.00 0.00 54.97 53.53 3i1n s GLU 129 Cb 0.01 0.43 0.00 0.00 0.02 0.00 0.00 34.13 34.59 3i1n s GLU 129 CO 0.01 -0.61 0.25 -3.38 -1.84 0.00 0.00 175.26 169.68 3i1n s HIS 130 N -3.90 0.18 -0.38 4.83 -3.43 -1.26 -5.02 115.29 106.30 3i1n s HIS 130 Ca 0.27 -0.58 0.04 0.00 -0.80 0.00 0.00 55.06 54.00 3i1n s HIS 130 Cb 0.01 -0.02 0.58 0.00 -1.43 0.00 0.00 32.58 31.72 3i1n s HIS 130 CO 0.11 -0.62 1.75 0.27 -2.00 0.00 0.00 174.74 174.26 3i1n n ASN 131 N -0.13 3.77 -1.89 7.38 6.94 -1.26 -4.42 115.26 125.65 3i1n n ASN 131 Ca -0.13 -3.30 -0.22 0.00 -0.02 0.00 0.00 54.58 50.91 3i1n n ASN 131 Cb 0.63 -0.77 0.08 0.00 -2.36 0.00 0.00 39.78 37.36 3i1n n ASN 131 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i1n n HIS 132 N -0.75 2.46 -0.29 -2.53 8.25 -1.26 -4.74 115.22 116.35 3i1n n HIS 132 Ca 0.48 -2.29 0.03 0.00 -0.26 0.00 0.00 57.72 55.68 3i1n n HIS 132 Cb 1.45 -0.69 0.16 0.00 1.12 0.00 0.00 29.99 32.04 3i1n n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1n h ALA 133 N 1.82 1.16 0.00 -1.41 0.00 -2.01 -2.56 119.26 116.26 3i1n h ALA 133 Ca 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3i1n h ALA 133 Cb 1.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i1n h ALA 133 CO 0.90 0.11 -0.09 0.00 0.00 0.00 0.00 179.25 180.16 3i1n h ALA 134 N 1.45 1.70 0.00 0.00 0.00 -1.98 0.22 119.26 120.65 3i1n h ALA 134 Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i1n h ALA 134 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i1n h ALA 134 CO -0.24 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.17 3i1n n GLN 135 N -4.22 0.05 -3.50 0.00 1.13 -0.97 -4.89 117.38 104.98 3i1n n GLN 135 Ca -0.03 0.17 -0.19 0.00 -1.94 0.00 0.00 57.00 55.01 3i1n n GLN 135 Cb 0.17 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.09 3i1n n GLN 135 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3i1n n GLN 136 N -1.46 -4.73 -1.90 -1.09 6.02 0.77 -4.75 117.38 110.23 3i1n n GLN 136 Ca 0.05 0.75 -0.41 0.00 -0.01 0.00 0.00 57.00 57.38 3i1n n GLN 136 Cb 0.21 -5.50 -0.01 0.00 1.02 0.00 0.00 30.24 25.96 3i1n n GLN 136 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i1n s PRO 137 N -5.40 4.19 0.14 -1.09 0.04 -1.26 -4.85 135.00 126.77 3i1n s PRO 137 Ca 0.13 2.46 0.04 0.00 0.04 0.00 0.00 61.00 63.68 3i1n s PRO 137 Cb -0.03 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3i1n s PRO 137 CO 0.77 -0.43 0.13 1.14 0.04 0.00 0.00 177.00 178.65 3i1n s GLN 138 N -2.00 2.91 0.16 4.56 -2.07 -0.76 -4.80 119.66 117.65 3i1n s GLN 138 Ca 0.52 -0.82 -0.25 0.00 -1.82 0.00 0.00 55.36 52.99 3i1n s GLN 138 Cb -0.44 -2.67 -0.08 0.00 -1.09 0.00 0.00 33.01 28.72 3i1n s GLN 138 CO 0.60 0.51 0.77 0.54 -1.32 0.00 0.00 175.29 176.38 3i1n s VAL 139 N -1.66 4.40 0.32 3.63 0.11 -1.26 -1.02 120.40 124.92 3i1n s VAL 139 Ca 0.31 1.68 0.04 0.00 -2.93 0.00 0.00 61.98 61.08 3i1n s VAL 139 Cb -0.11 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.58 3i1n s VAL 139 CO 0.23 0.52 0.20 -1.48 -3.33 0.00 0.00 175.10 171.23 3i1n s LEU 140 N -1.09 1.70 0.00 2.54 0.05 -0.49 -4.86 118.68 116.54 3i1n s LEU 140 Ca 0.36 -1.64 0.00 0.00 0.05 0.00 0.00 54.13 52.90 3i1n s LEU 140 Cb -0.23 0.30 0.00 0.00 -2.05 0.00 0.00 46.19 44.21 3i1n s LEU 140 CO 0.26 -0.96 0.00 0.47 -0.55 0.00 0.00 176.35 175.57 3i1n n ASP 141 N -1.16 0.00 0.00 1.48 8.00 -1.26 -4.46 116.55 119.15 3i1n n ASP 141 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3i1n n ASP 141 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3i1n n ASP 141 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43