#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m6p s LYS 4 N 0.00 4.35 0.00 3.49 2.47 -1.26 -4.98 119.74 123.81 1m6p s LYS 4 Ca 0.00 1.60 0.00 0.00 -1.56 0.00 0.00 55.97 56.01 1m6p s LYS 4 Cb 0.00 -3.58 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1m6p s LYS 4 CO 0.00 -0.45 0.00 0.25 0.16 0.00 0.00 175.35 175.31 1m6p n THR 5 N 4.69 0.00 -2.44 3.43 -2.24 -1.26 -4.95 114.28 111.51 1m6p n THR 5 Ca 0.11 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 1m6p n THR 5 Cb 0.47 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 1m6p n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m6p s ASP 7 N -0.63 5.10 0.40 0.00 1.01 -0.60 -5.00 116.67 116.96 1m6p s ASP 7 Ca 0.46 -0.02 0.08 0.00 0.71 0.00 0.00 52.55 53.78 1m6p s ASP 7 Cb -0.32 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1m6p s ASP 7 CO 0.40 0.21 0.54 -0.76 0.21 0.00 0.00 175.17 175.77 1m6p s LEU 8 N 0.15 3.74 0.21 1.23 1.43 -1.26 -0.95 118.68 123.23 1m6p s LEU 8 Ca 0.01 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1m6p s LEU 8 Cb -0.13 -2.68 -0.09 0.00 0.03 0.00 0.00 46.19 43.32 1m6p s LEU 8 CO 0.02 -0.67 1.30 0.54 0.23 0.00 0.00 176.35 177.77 1m6p s VAL 9 N -2.30 3.18 0.00 -1.59 0.11 -1.26 -4.84 120.40 113.70 1m6p s VAL 9 Ca 0.52 0.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.56 1m6p s VAL 9 Cb -0.10 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1m6p s VAL 9 CO 0.32 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1m6p n GLY 10 N 2.23 2.71 3.77 6.54 0.00 -1.26 -4.53 105.19 114.65 1m6p n GLY 10 Ca 0.06 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1m6p n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m6p s GLU 11 N -2.79 3.81 -0.03 1.61 0.41 -1.26 -4.85 118.70 115.61 1m6p s GLU 11 Ca 0.00 1.80 -0.39 0.00 -0.41 0.00 0.00 54.97 55.97 1m6p s GLU 11 Cb 0.00 -2.47 -0.18 0.00 -1.78 0.00 0.00 34.13 29.70 1m6p s GLU 11 CO 0.00 -0.51 1.31 0.36 -0.49 0.00 0.00 175.26 175.93 1m6p n LYS 12 N -0.37 0.67 0.00 1.61 2.85 -1.26 -0.67 118.16 121.00 1m6p n LYS 12 Ca 0.07 0.24 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 1m6p n LYS 12 Cb 0.48 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1m6p n LYS 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1m6p n GLY 13 N 2.46 3.02 2.05 2.58 0.00 -1.26 -4.85 105.19 109.20 1m6p n GLY 13 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1m6p n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m6p n LYS 14 N -1.20 2.96 -2.89 1.61 5.02 0.16 -5.01 118.16 118.81 1m6p n LYS 14 Ca 0.00 -3.64 -0.21 0.00 -2.02 0.00 0.00 58.31 52.44 1m6p n LYS 14 Cb 0.00 -2.22 0.02 0.00 -0.02 0.00 0.00 35.03 32.81 1m6p n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1m6p s GLU 15 N -3.64 2.79 0.19 1.97 8.01 -1.25 -4.57 118.70 122.20 1m6p s GLU 15 Ca 0.56 -0.81 -0.33 0.00 0.01 0.00 0.00 54.97 54.40 1m6p s GLU 15 Cb 0.45 -2.59 -0.14 0.00 -4.31 0.00 0.00 34.13 27.55 1m6p s GLU 15 CO 0.02 -0.43 1.53 0.45 0.01 0.00 0.00 175.26 176.84 1m6p n SER 16 N -2.11 3.06 0.22 -0.19 2.88 -1.26 -4.86 113.62 111.36 1m6p n SER 16 Ca 0.05 1.10 0.10 0.00 -1.33 0.00 0.00 58.87 58.79 1m6p n SER 16 Cb 0.59 -1.44 0.41 0.00 -0.75 0.00 0.00 64.21 63.02 1m6p n SER 16 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1m6p h GLU 17 N 5.42 0.00 -0.44 -1.46 4.57 -1.98 -2.17 114.58 118.51 1m6p h GLU 17 Ca -0.45 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.67 1m6p h GLU 17 Cb 1.26 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1m6p h GLU 17 CO 0.85 0.22 0.05 0.87 -1.18 0.00 0.00 179.01 179.83 1m6p h LYS 18 N 0.00 0.74 -0.22 1.92 1.57 -1.98 -1.27 116.57 117.33 1m6p h LYS 18 Ca -0.00 -0.21 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 1m6p h LYS 18 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1m6p h LYS 18 CO 0.03 0.78 -0.63 0.93 -0.57 0.00 0.00 179.45 179.99 1m6p h GLU 19 N 0.59 0.79 -0.40 3.15 5.08 -1.76 -2.83 114.58 119.20 1m6p h GLU 19 Ca 0.13 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1m6p h GLU 19 Cb 0.41 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1m6p h GLU 19 CO 0.01 1.17 0.25 -0.07 -1.00 0.00 0.00 179.01 179.37 1m6p h LEU 20 N 0.58 0.43 -1.63 1.33 3.38 -1.30 -1.61 115.31 116.49 1m6p h LEU 20 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1m6p h LEU 20 Cb 1.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1m6p h LEU 20 CO 0.13 0.31 0.15 0.00 0.09 0.00 0.00 178.44 179.12 1m6p h ALA 21 N 1.16 1.72 -0.13 1.53 0.00 -1.22 -2.00 119.26 120.32 1m6p h ALA 21 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1m6p h ALA 21 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1m6p h ALA 21 CO -0.05 0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 179.25 1m6p h LEU 22 N 0.40 0.33 -0.78 0.00 3.38 -1.14 -1.94 115.31 115.57 1m6p h LEU 22 Ca 0.10 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1m6p h LEU 22 Cb 0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1m6p h LEU 22 CO -0.02 0.74 0.47 -0.07 0.09 0.00 0.00 178.44 179.65 1m6p h LEU 23 N -0.06 0.73 -0.06 1.67 3.38 -0.98 -0.67 115.31 119.32 1m6p h LEU 23 Ca 0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1m6p h LEU 23 Cb 0.64 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1m6p h LEU 23 CO 0.03 0.47 -0.14 0.11 0.09 0.00 0.00 178.44 179.01 1m6p h LYS 24 N 0.87 -0.19 -0.57 1.13 1.57 -1.27 -1.59 116.57 116.52 1m6p h LYS 24 Ca 0.34 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 1m6p h LYS 24 Cb 0.16 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1m6p h LYS 24 CO -0.17 -0.13 0.38 -0.09 -0.57 0.00 0.00 179.45 178.88 1m6p h ARG 25 N -0.20 0.43 -0.01 3.15 2.43 -0.50 -1.47 114.38 118.21 1m6p h ARG 25 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1m6p h ARG 25 Cb 0.29 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1m6p h ARG 25 CO -0.18 0.29 -0.01 1.28 -1.51 0.00 0.00 179.97 179.84 1m6p n LEU 26 N -4.47 0.65 -0.30 3.80 4.77 -0.34 -4.44 117.00 116.66 1m6p n LEU 26 Ca 0.09 -0.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1m6p n LEU 26 Cb 0.31 -0.01 0.26 0.00 -2.33 0.00 0.00 43.42 41.65 1m6p n LEU 26 CO 0.34 0.11 0.88 0.74 -1.33 0.00 0.00 177.39 178.13 1m6p h THR 27 N 1.01 0.24 0.00 -5.08 2.02 -0.67 0.11 112.91 110.54 1m6p h THR 27 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1m6p h THR 27 Cb 0.23 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1m6p h THR 27 CO 0.00 0.02 0.00 -0.81 0.37 0.00 0.00 175.52 175.10 1m6p n PRO 28 N -5.32 0.08 0.10 6.66 -0.04 -1.26 -1.63 135.00 133.59 1m6p n PRO 28 Ca 0.20 0.53 0.09 0.00 -0.04 0.00 0.00 63.50 64.27 1m6p n PRO 28 Cb 0.66 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1m6p n PRO 28 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1m6p h LEU 29 N 0.00 0.00 -0.84 1.53 3.38 -1.31 -3.39 115.31 114.68 1m6p h LEU 29 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 1m6p h LEU 29 Cb 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.68 1m6p h LEU 29 CO 0.00 0.15 0.25 -0.26 0.09 0.00 0.00 178.44 178.67 1m6p h PHE 30 N 0.00 0.39 0.00 1.13 -1.00 -1.37 0.38 116.94 116.47 1m6p h PHE 30 Ca -0.04 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1m6p h PHE 30 Cb 1.15 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1m6p h PHE 30 CO 0.00 -0.14 0.00 0.00 -1.61 0.00 0.00 178.31 176.56 1m6p n GLN 31 N -5.17 0.01 -2.57 1.51 10.64 -1.26 -4.68 117.38 115.87 1m6p n GLN 31 Ca 0.19 0.09 -0.24 0.00 -1.83 0.00 0.00 57.00 55.21 1m6p n GLN 31 Cb 0.61 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.53 1m6p n GLN 31 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1m6p s LYS 32 N -2.99 2.75 -0.03 2.61 1.02 0.12 -5.10 119.74 118.11 1m6p s LYS 32 Ca 0.12 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.78 1m6p s LYS 32 Cb 0.16 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1m6p s LYS 32 CO 0.43 -0.69 -0.04 0.45 -0.92 0.00 0.00 175.35 174.59 1m6p s SER 33 N -4.35 0.75 -0.05 2.83 0.15 -1.26 -4.68 113.70 107.11 1m6p s SER 33 Ca 0.54 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1m6p s SER 33 Cb -0.10 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.86 1m6p s SER 33 CO 0.42 -0.04 -0.19 -0.36 1.20 0.00 0.00 173.24 174.27 1m6p s PHE 34 N 0.71 2.57 -0.00 3.44 0.08 -0.46 -5.00 117.98 119.32 1m6p s PHE 34 Ca -0.09 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.65 1m6p s PHE 34 Cb -0.12 -1.60 -0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1m6p s PHE 34 CO -0.00 0.06 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.15 1m6p s GLU 35 N -0.58 0.24 0.62 0.44 2.12 -1.26 -0.34 118.70 119.94 1m6p s GLU 35 Ca 0.08 -0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.14 1m6p s GLU 35 Cb -0.11 -0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.01 1m6p s GLU 35 CO 0.01 0.05 1.20 -1.54 -0.54 0.00 0.00 175.26 174.43 1m6p s SER 36 N 0.01 5.03 -0.76 -1.70 1.04 -0.23 -4.82 113.70 112.28 1m6p s SER 36 Ca 0.00 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1m6p s SER 36 Cb -0.02 -2.59 0.36 0.00 0.10 0.00 0.00 66.02 63.87 1m6p s SER 36 CO -0.00 -1.70 1.73 0.35 0.98 0.00 0.00 173.24 174.60 1m6p n THR 37 N -1.84 3.63 -0.03 2.02 -2.24 -1.26 -4.76 114.28 109.80 1m6p n THR 37 Ca 0.13 -4.75 0.11 0.00 -2.27 0.00 0.00 64.05 57.27 1m6p n THR 37 Cb 0.50 -1.30 0.17 0.00 -2.10 0.00 0.00 70.33 67.61 1m6p n THR 37 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1m6p n MET 44 N -0.44 0.01 -4.41 -0.78 0.00 -1.26 -5.02 117.12 105.21 1m6p n MET 44 Ca 0.48 0.57 -0.21 0.00 -0.00 0.00 0.00 57.70 58.54 1m6p n MET 44 Cb 0.34 -1.46 -0.10 0.00 0.00 0.00 0.00 33.22 32.01 1m6p n MET 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1m6p s TYR 45 N -3.21 2.01 0.04 1.12 2.02 -1.26 -2.55 117.35 115.52 1m6p s TYR 45 Ca -0.01 -0.46 0.08 0.00 -0.37 0.00 0.00 57.07 56.30 1m6p s TYR 45 Cb 0.06 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 1m6p s TYR 45 CO 0.19 0.53 -0.22 0.45 -1.57 0.00 0.00 175.55 174.93 1m6p s SER 46 N -3.42 2.66 -0.04 2.29 0.15 -0.18 -4.95 113.70 110.22 1m6p s SER 46 Ca 0.27 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1m6p s SER 46 Cb -0.02 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1m6p s SER 46 CO 0.11 0.20 -0.19 -0.31 1.20 0.00 0.00 173.24 174.25 1m6p s TYR 47 N -0.77 1.86 -0.09 3.44 1.51 -1.26 0.14 117.35 122.18 1m6p s TYR 47 Ca 0.09 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1m6p s TYR 47 Cb -0.09 -1.23 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1m6p s TYR 47 CO 0.02 -0.15 -0.19 0.08 -1.11 0.00 0.00 175.55 174.19 1m6p s VAL 48 N -0.09 1.73 -0.03 0.71 1.01 -0.79 -1.07 120.40 121.87 1m6p s VAL 48 Ca -0.02 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1m6p s VAL 48 Cb -0.11 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1m6p s VAL 48 CO 0.02 0.49 -0.17 0.12 0.00 0.00 0.00 175.10 175.56 1m6p s PHE 49 N 0.53 1.60 0.01 5.22 5.36 0.54 -1.31 117.98 129.93 1m6p s PHE 49 Ca -0.16 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 55.43 1m6p s PHE 49 Cb -0.17 -1.06 -0.01 0.00 -0.34 0.00 0.00 43.02 41.44 1m6p s PHE 49 CO 0.06 -0.10 -0.03 1.03 -1.46 0.00 0.00 175.22 174.72 1m6p s ARG 50 N -0.14 0.26 -0.43 10.12 0.52 -0.45 -1.35 118.95 127.47 1m6p s ARG 50 Ca 0.01 -0.40 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 1m6p s ARG 50 Cb -0.09 -0.04 0.02 0.00 0.52 0.00 0.00 34.95 35.36 1m6p s ARG 50 CO 0.01 -0.00 0.59 0.08 0.02 0.00 0.00 175.30 176.00 1m6p s VAL 51 N -0.86 4.89 -1.83 3.52 1.01 -1.26 -4.30 120.40 121.58 1m6p s VAL 51 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1m6p s VAL 51 Cb -0.06 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1m6p s VAL 51 CO -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.54 1m6p s ARG 53 N -4.64 0.62 -0.06 0.00 6.06 -1.26 -4.35 118.95 115.31 1m6p s ARG 53 Ca 0.00 -0.68 -0.29 0.00 -2.50 0.00 0.00 55.73 52.26 1m6p s ARG 53 Cb 0.00 0.25 -0.07 0.00 0.06 0.00 0.00 34.95 35.19 1m6p s ARG 53 CO 0.00 -0.16 1.92 -2.00 -2.50 0.00 0.00 175.30 172.56 1m6p s GLU 54 N -2.48 3.90 0.13 5.12 2.56 -1.26 -4.53 118.70 122.13 1m6p s GLU 54 Ca -0.06 2.30 0.23 0.00 0.00 0.00 0.00 54.97 57.44 1m6p s GLU 54 Cb -0.02 -4.16 -0.00 0.00 2.00 0.00 0.00 34.13 31.95 1m6p s GLU 54 CO -0.04 -1.22 0.99 0.00 -0.56 0.00 0.00 175.26 174.43 1m6p n ALA 55 N 8.44 2.77 -2.02 6.30 0.00 0.05 -4.97 120.51 131.08 1m6p n ALA 55 Ca 0.21 -0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 1m6p n ALA 55 Cb 0.43 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 18.93 1m6p n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1m6p s GLY 56 N -4.18 1.74 -0.11 0.00 0.00 -1.26 -4.84 107.32 98.67 1m6p s GLY 56 Ca -0.00 -1.99 0.14 0.00 0.00 0.00 0.00 44.72 42.86 1m6p s GLY 56 CO 0.80 -1.47 1.28 -1.06 0.00 0.00 0.00 173.10 172.65 1m6p n GLN 57 N -2.53 2.58 -0.43 2.90 1.13 -1.26 -4.62 117.38 115.15 1m6p n GLN 57 Ca 0.16 -2.45 0.07 0.00 -1.94 0.00 0.00 57.00 52.83 1m6p n GLN 57 Cb 0.61 -1.55 0.13 0.00 0.11 0.00 0.00 30.24 29.54 1m6p n GLN 57 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1m6p n HIS 58 N -0.47 0.00 -3.55 1.08 8.25 -1.26 -5.00 115.22 114.26 1m6p n HIS 58 Ca 0.16 -0.93 -0.26 0.00 -0.26 0.00 0.00 57.72 56.42 1m6p n HIS 58 Cb 0.66 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 1m6p n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1m6p n SER 59 N -0.93 -3.97 -0.52 0.41 7.64 -1.26 -4.87 113.62 110.11 1m6p n SER 59 Ca 0.13 -0.53 0.13 0.00 1.01 0.00 0.00 58.87 59.61 1m6p n SER 59 Cb 0.71 -3.25 0.43 0.00 -1.01 0.00 0.00 64.21 61.09 1m6p n SER 59 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1m6p n SER 60 N -2.44 1.68 -0.54 6.43 7.64 -1.26 -4.94 113.62 120.20 1m6p n SER 60 Ca 0.00 -1.50 -0.05 0.00 1.01 0.00 0.00 58.87 58.34 1m6p n SER 60 Cb 0.53 0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1m6p n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m6p n GLY 61 N 1.23 0.19 3.76 0.23 0.00 -1.26 -5.02 105.19 104.32 1m6p n GLY 61 Ca 0.17 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 1m6p n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m6p s ALA 62 N -2.23 3.32 -0.06 4.61 0.00 -1.26 -2.92 121.76 123.21 1m6p s ALA 62 Ca 0.00 0.59 0.20 0.00 0.00 0.00 0.00 51.96 52.75 1m6p s ALA 62 Cb 0.00 -3.19 -0.30 0.00 0.00 0.00 0.00 23.12 19.62 1m6p s ALA 62 CO 0.00 0.21 0.38 0.41 0.00 0.00 0.00 175.76 176.76 1m6p n GLY 63 N 1.31 -0.93 3.31 0.00 0.00 0.10 -0.77 105.19 108.21 1m6p n GLY 63 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1m6p n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1m6p s LEU 64 N -4.58 -0.40 0.21 0.99 0.20 -1.08 -1.34 118.68 112.68 1m6p s LEU 64 Ca -0.08 1.00 0.11 0.00 0.69 0.00 0.00 54.13 55.85 1m6p s LEU 64 Cb 0.12 1.46 -0.05 0.00 -0.43 0.00 0.00 46.19 47.29 1m6p s LEU 64 CO 0.83 -0.21 -0.22 0.68 -0.29 0.00 0.00 176.35 177.14 1m6p s VAL 65 N 1.91 2.28 -0.22 1.68 -7.23 -0.43 -1.02 120.40 117.38 1m6p s VAL 65 Ca -0.07 -2.10 -0.00 0.00 -1.81 0.00 0.00 61.98 58.00 1m6p s VAL 65 Cb -0.10 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1m6p s VAL 65 CO -0.14 -0.22 -0.12 -1.58 -0.31 0.00 0.00 175.10 172.73 1m6p s GLN 66 N -2.89 2.89 -0.26 4.82 0.74 0.16 -1.89 119.66 123.24 1m6p s GLN 66 Ca 0.22 -0.92 -0.09 0.00 0.05 0.00 0.00 55.36 54.62 1m6p s GLN 66 Cb -0.07 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 1m6p s GLN 66 CO 0.10 -0.32 0.12 0.42 -0.55 0.00 0.00 175.29 175.07 1m6p s ILE 67 N 1.30 4.78 -0.45 -2.34 1.01 0.12 -1.26 121.20 124.37 1m6p s ILE 67 Ca 0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 1m6p s ILE 67 Cb -0.15 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.10 1m6p s ILE 67 CO -0.08 0.31 1.11 -1.58 0.00 0.00 0.00 174.94 174.70 1m6p s GLN 68 N 1.59 3.78 0.25 2.79 0.74 -0.36 -1.01 119.66 127.44 1m6p s GLN 68 Ca 0.06 0.63 -0.04 0.00 0.05 0.00 0.00 55.36 56.07 1m6p s GLN 68 Cb -0.15 -3.88 0.38 0.00 1.10 0.00 0.00 33.01 30.46 1m6p s GLN 68 CO 0.07 -1.28 1.86 0.87 -0.55 0.00 0.00 175.29 176.26 1m6p h LYS 69 N 9.00 1.03 -0.39 1.67 1.57 -1.82 0.14 116.57 127.75 1m6p h LYS 69 Ca -0.23 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1m6p h LYS 69 Cb 1.06 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1m6p h LYS 69 CO 1.10 0.68 0.12 0.66 -0.57 0.00 0.00 179.45 181.44 1m6p h SER 70 N 1.06 0.52 0.00 0.86 4.64 -1.92 -3.29 113.55 115.42 1m6p h SER 70 Ca 0.41 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1m6p h SER 70 Cb 0.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1m6p h SER 70 CO -0.18 0.50 0.00 -0.46 -0.87 0.00 0.00 176.83 175.82 1m6p n ASN 71 N -4.35 0.99 0.00 4.97 2.04 -1.14 -5.02 115.26 112.74 1m6p n ASN 71 Ca 0.02 -1.19 0.00 0.00 -0.44 0.00 0.00 54.58 52.98 1m6p n ASN 71 Cb 0.17 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1m6p n ASN 71 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1m6p n GLY 72 N -0.09 0.36 3.69 4.83 0.00 0.46 -4.98 105.19 109.46 1m6p n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1m6p n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m6p s LYS 73 N -0.64 4.20 -0.28 1.61 2.20 -1.22 -4.77 119.74 120.84 1m6p s LYS 73 Ca 0.00 2.35 -0.10 0.00 -0.36 0.00 0.00 55.97 57.86 1m6p s LYS 73 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1m6p s LYS 73 CO 0.00 -0.73 0.15 -2.00 -0.36 0.00 0.00 175.35 172.41 1m6p s GLU 74 N 2.51 3.68 -0.17 4.03 2.12 -1.26 -1.22 118.70 128.39 1m6p s GLU 74 Ca 0.74 -0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.55 1m6p s GLU 74 Cb -0.40 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.41 1m6p s GLU 74 CO 0.32 -0.26 -0.04 0.99 -0.54 0.00 0.00 175.26 175.73 1m6p s THR 75 N 1.68 3.72 -0.32 -1.70 2.01 -0.39 -4.96 115.64 115.68 1m6p s THR 75 Ca 0.06 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 1m6p s THR 75 Cb -0.16 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1m6p s THR 75 CO 0.08 0.47 1.03 -0.69 -0.69 0.00 0.00 174.62 174.82 1m6p s VAL 76 N 0.64 4.56 0.00 3.82 1.01 -1.26 -0.66 120.40 128.50 1m6p s VAL 76 Ca -0.03 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.67 1m6p s VAL 76 Cb -0.15 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.63 1m6p s VAL 76 CO 0.02 -0.44 0.84 0.58 0.00 0.00 0.00 175.10 176.10 1m6p h VAL 77 N 5.71 1.11 -1.94 2.92 2.07 -1.42 0.32 116.25 125.01 1m6p h VAL 77 Ca -0.21 -2.88 -0.04 0.00 0.82 0.00 0.00 66.70 64.39 1m6p h VAL 77 Cb 1.07 2.59 -0.20 0.00 -1.52 0.00 0.00 31.29 33.23 1m6p h VAL 77 CO 1.01 0.69 0.23 -0.83 0.02 0.00 0.00 177.57 178.69 1m6p s GLY 78 N -5.01 -0.53 -0.07 2.17 0.00 -1.11 -2.28 107.32 100.49 1m6p s GLY 78 Ca -0.05 1.51 0.02 0.00 0.00 0.00 0.00 44.72 46.21 1m6p s GLY 78 CO 0.83 1.08 -0.13 0.50 0.00 0.00 0.00 173.10 175.38 1m6p s ARG 79 N -0.96 2.75 0.00 2.90 0.52 -0.19 0.03 118.95 123.99 1m6p s ARG 79 Ca -0.08 -0.67 0.17 0.00 -0.52 0.00 0.00 55.73 54.63 1m6p s ARG 79 Cb -0.01 -2.47 0.87 0.00 0.52 0.00 0.00 34.95 33.86 1m6p s ARG 79 CO 0.08 0.54 1.47 1.97 0.02 0.00 0.00 175.30 179.37 1m6p n PHE 80 N 2.58 0.00 1.32 -0.53 1.16 -1.15 -2.20 117.46 118.64 1m6p n PHE 80 Ca -0.17 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.55 1m6p n PHE 80 Cb 0.52 -0.23 0.68 0.00 -1.61 0.00 0.00 39.48 38.84 1m6p n PHE 80 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1m6p n ASN 81 N -1.23 0.11 -3.31 5.98 6.94 -1.26 -1.56 115.26 120.93 1m6p n ASN 81 Ca 0.09 -0.10 -0.26 0.00 -0.02 0.00 0.00 54.58 54.29 1m6p n ASN 81 Cb 0.12 -0.27 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 1m6p n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1m6p n GLU 82 N -1.28 1.70 -3.96 -3.83 1.02 -0.93 -4.29 120.64 109.07 1m6p n GLU 82 Ca 0.12 -4.00 -0.36 0.00 -0.02 0.00 0.00 57.16 52.90 1m6p n GLU 82 Cb 0.27 -1.78 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1m6p n GLU 82 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1m6p s THR 83 N -1.90 5.30 -0.02 2.62 2.01 -0.12 -1.26 115.64 122.27 1m6p s THR 83 Ca 0.38 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1m6p s THR 83 Cb 0.16 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1m6p s THR 83 CO -0.06 0.59 -0.07 -1.58 -0.69 0.00 0.00 174.62 172.81 1m6p s GLN 84 N -1.10 0.74 -0.14 4.92 0.74 -0.59 -4.21 119.66 120.02 1m6p s GLN 84 Ca 0.16 -0.23 -0.09 0.00 0.05 0.00 0.00 55.36 55.25 1m6p s GLN 84 Cb -0.12 -0.72 0.05 0.00 1.10 0.00 0.00 33.01 33.32 1m6p s GLN 84 CO 0.05 0.08 0.35 -1.50 -0.55 0.00 0.00 175.29 173.72 1m6p s ILE 85 N 0.21 -0.02 0.15 -2.34 2.07 -1.26 -0.56 121.20 119.45 1m6p s ILE 85 Ca -0.03 0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.19 1m6p s ILE 85 Cb -0.07 -0.52 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 1m6p s ILE 85 CO 0.00 0.03 0.29 0.72 -1.91 0.00 0.00 174.94 174.07 1m6p s PHE 86 N 0.96 0.28 0.24 3.50 -0.71 -0.62 -4.57 117.98 117.05 1m6p s PHE 86 Ca -0.06 -0.65 0.02 0.00 -1.04 0.00 0.00 56.93 55.19 1m6p s PHE 86 Cb -0.07 -0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 1m6p s PHE 86 CO -0.07 -0.70 0.05 1.14 -1.34 0.00 0.00 175.22 174.30 1m6p s GLN 87 N -3.93 1.34 0.00 1.99 -2.07 -1.26 0.05 119.66 115.77 1m6p s GLN 87 Ca 0.13 -1.70 0.00 0.00 -1.82 0.00 0.00 55.36 51.97 1m6p s GLN 87 Cb 0.03 -0.37 0.00 0.00 -1.09 0.00 0.00 33.01 31.58 1m6p s GLN 87 CO -0.03 -0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 1m6p n GLY 88 N -0.42 5.60 0.23 2.60 0.00 0.34 -4.98 105.19 108.56 1m6p n GLY 88 Ca -0.03 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 1m6p n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1m6p h SER 89 N 0.00 0.37 -0.07 1.61 0.02 -2.02 -3.36 113.55 110.10 1m6p h SER 89 Ca 0.00 -0.12 -0.17 0.00 -0.84 0.00 0.00 61.79 60.66 1m6p h SER 89 Cb 0.00 -0.10 -0.23 0.00 0.14 0.00 0.00 62.40 62.21 1m6p h SER 89 CO 0.00 0.62 -0.58 -0.46 -1.14 0.00 0.00 176.83 175.27 1m6p n ASN 90 N -4.14 -0.29 -3.53 3.07 6.94 -1.26 -4.10 115.26 111.95 1m6p n ASN 90 Ca -0.01 -2.06 -0.12 0.00 -0.02 0.00 0.00 54.58 52.37 1m6p n ASN 90 Cb 0.38 0.15 -0.04 0.00 -2.36 0.00 0.00 39.78 37.91 1m6p n ASN 90 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1m6p s TRP 91 N -0.57 -0.42 -0.02 -2.53 1.48 -1.16 -1.37 118.94 114.36 1m6p s TRP 91 Ca 0.14 0.29 0.01 0.00 -1.06 0.00 0.00 56.10 55.48 1m6p s TRP 91 Cb 0.25 0.40 0.01 0.00 -1.16 0.00 0.00 33.47 32.98 1m6p s TRP 91 CO -0.08 -0.73 -0.02 0.42 -4.06 0.00 0.00 176.95 172.48 1m6p s ILE 92 N -3.23 0.26 -0.17 0.66 1.01 0.29 -0.50 121.20 119.52 1m6p s ILE 92 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.58 1m6p s ILE 92 Cb -0.00 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1m6p s ILE 92 CO -0.08 0.13 -0.06 -0.32 0.00 0.00 0.00 174.94 174.61 1m6p s MET 93 N 0.56 3.50 -0.07 2.79 -2.45 0.11 -0.32 119.30 123.43 1m6p s MET 93 Ca -0.06 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 53.82 1m6p s MET 93 Cb -0.09 -2.87 -0.02 0.00 1.25 0.00 0.00 34.83 33.10 1m6p s MET 93 CO -0.01 0.09 -0.17 -1.17 1.05 0.00 0.00 175.02 174.82 1m6p s LEU 94 N 0.72 2.56 -0.04 4.11 2.96 -0.43 -1.60 118.68 126.96 1m6p s LEU 94 Ca -0.03 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1m6p s LEU 94 Cb -0.15 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1m6p s LEU 94 CO 0.02 0.28 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.62 1m6p s ILE 95 N -0.33 0.76 -0.19 6.68 1.01 0.28 -0.38 121.20 129.03 1m6p s ILE 95 Ca 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1m6p s ILE 95 Cb -0.13 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1m6p s ILE 95 CO 0.02 0.26 -0.13 -0.31 0.00 0.00 0.00 174.94 174.78 1m6p s TYR 96 N 0.61 2.84 0.24 3.97 2.02 -0.26 -1.54 117.35 125.24 1m6p s TYR 96 Ca -0.10 -1.25 0.04 0.00 -0.37 0.00 0.00 57.07 55.39 1m6p s TYR 96 Cb -0.13 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1m6p s TYR 96 CO 0.01 -0.63 0.30 1.63 -1.57 0.00 0.00 175.55 175.29 1m6p n LYS 97 N 4.53 0.91 -2.29 -0.62 5.02 -0.39 -1.19 118.16 124.14 1m6p n LYS 97 Ca -0.20 -1.35 -0.11 0.00 -2.02 0.00 0.00 58.31 54.63 1m6p n LYS 97 Cb 0.51 -0.04 -0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1m6p n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m6p n GLY 98 N 2.05 -0.08 2.75 0.72 0.00 -1.24 -1.03 105.19 108.36 1m6p n GLY 98 Ca 0.05 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1m6p n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m6p n GLY 99 N -1.04 -1.56 3.75 -0.02 0.00 -0.23 -4.35 105.19 101.74 1m6p n GLY 99 Ca -0.12 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1m6p n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m6p s ASP 100 N -4.40 5.47 0.30 1.61 1.01 0.11 -3.35 116.67 117.42 1m6p s ASP 100 Ca 0.54 2.72 -0.28 0.00 0.71 0.00 0.00 52.55 56.24 1m6p s ASP 100 Cb -0.02 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 1m6p s ASP 100 CO 0.38 -1.43 1.05 -1.61 0.21 0.00 0.00 175.17 173.77 1m6p s GLU 101 N -2.82 4.57 0.48 8.23 2.02 -1.26 -0.84 118.70 129.08 1m6p s GLU 101 Ca 0.69 1.66 -0.21 0.00 0.02 0.00 0.00 54.97 57.12 1m6p s GLU 101 Cb -0.39 -3.04 -0.07 0.00 0.10 0.00 0.00 34.13 30.72 1m6p s GLU 101 CO 0.47 0.20 1.11 0.71 0.02 0.00 0.00 175.26 177.76 1m6p s TYR 102 N -1.30 2.91 -0.71 1.61 2.02 -0.63 -4.92 117.35 116.33 1m6p s TYR 102 Ca 0.47 1.57 0.22 0.00 -0.37 0.00 0.00 57.07 58.95 1m6p s TYR 102 Cb -0.28 -3.24 -0.16 0.00 -0.40 0.00 0.00 41.96 37.88 1m6p s TYR 102 CO 0.36 -1.22 0.86 -0.25 -1.57 0.00 0.00 175.55 173.73 1m6p n ASP 103 N -0.77 0.68 0.00 2.29 8.00 -1.26 -4.24 116.55 121.26 1m6p n ASP 103 Ca 0.09 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1m6p n ASP 103 Cb 0.50 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.74 1m6p n ASP 103 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1m6p n ASN 104 N -1.75 0.00 -4.93 -2.24 3.02 -1.26 -4.91 115.26 103.19 1m6p n ASN 104 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.31 1m6p n ASN 104 Cb 0.40 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.63 1m6p n ASN 104 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1m6p s HIS 105 N -1.00 3.04 -1.77 3.10 3.76 -1.26 -4.48 115.29 116.68 1m6p s HIS 105 Ca 0.00 0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 55.20 1m6p s HIS 105 Cb 0.00 -3.03 0.21 0.00 1.11 0.00 0.00 32.58 30.87 1m6p s HIS 105 CO 0.00 -1.19 0.63 0.00 -0.85 0.00 0.00 174.74 173.33 1m6p n GLY 107 N -1.13 -0.07 3.03 0.00 0.00 -1.23 -2.20 105.19 103.61 1m6p n GLY 107 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1m6p n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m6p n ARG 108 N -2.87 -4.17 -1.97 1.61 1.74 0.41 -4.98 116.66 106.43 1m6p n ARG 108 Ca -0.23 0.79 -0.29 0.00 -0.77 0.00 0.00 57.85 57.36 1m6p n ARG 108 Cb 0.68 -5.59 0.08 0.00 -1.02 0.00 0.00 32.46 26.60 1m6p n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1m6p s GLU 109 N -5.70 2.20 0.31 5.56 -1.05 -0.93 -4.24 118.70 114.84 1m6p s GLU 109 Ca 0.29 0.11 -0.28 0.00 -0.15 0.00 0.00 54.97 54.93 1m6p s GLU 109 Cb -0.14 -2.01 -0.09 0.00 -0.44 0.00 0.00 34.13 31.44 1m6p s GLU 109 CO 0.36 -1.40 1.11 -0.65 0.95 0.00 0.00 175.26 175.63 1m6p s GLN 110 N -5.46 4.51 0.96 -4.83 -0.21 -1.26 -1.61 119.66 111.75 1m6p s GLN 110 Ca 0.61 1.80 -0.10 0.00 0.02 0.00 0.00 55.36 57.68 1m6p s GLN 110 Cb -0.11 -3.05 0.17 0.00 1.00 0.00 0.00 33.01 31.02 1m6p s GLN 110 CO 0.49 0.09 1.13 1.03 -2.12 0.00 0.00 175.29 175.90 1m6p s ARG 111 N -1.68 0.69 -0.06 2.91 0.52 -0.02 -4.64 118.95 116.67 1m6p s ARG 111 Ca 0.48 1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 57.03 1m6p s ARG 111 Cb -0.31 -1.70 0.02 0.00 0.52 0.00 0.00 34.95 33.48 1m6p s ARG 111 CO 0.40 -2.82 0.21 0.50 0.02 0.00 0.00 175.30 173.61 1m6p s ARG 112 N -4.62 0.35 -0.13 3.54 3.52 -0.97 -1.07 118.95 119.57 1m6p s ARG 112 Ca 0.67 0.09 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 1m6p s ARG 112 Cb -0.23 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.32 1m6p s ARG 112 CO 0.59 -0.07 -0.19 0.00 -0.81 0.00 0.00 175.30 174.83 1m6p s ALA 113 N -0.38 2.36 -0.19 6.12 0.00 -0.33 -0.81 121.76 128.54 1m6p s ALA 113 Ca -0.05 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1m6p s ALA 113 Cb -0.03 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1m6p s ALA 113 CO 0.01 0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.78 1m6p s VAL 114 N 0.63 2.38 -0.19 0.00 1.01 0.58 -1.10 120.40 123.70 1m6p s VAL 114 Ca -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1m6p s VAL 114 Cb -0.16 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1m6p s VAL 114 CO 0.03 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1m6p s VAL 115 N 1.31 2.62 -0.35 2.92 1.01 0.49 -0.71 120.40 127.69 1m6p s VAL 115 Ca 0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1m6p s VAL 115 Cb -0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1m6p s VAL 115 CO -0.10 0.49 0.28 -0.32 0.00 0.00 0.00 175.10 175.45 1m6p s MET 116 N 1.30 3.47 -0.35 2.72 1.75 -0.17 -1.32 119.30 126.70 1m6p s MET 116 Ca 0.04 -0.61 -0.12 0.00 -1.25 0.00 0.00 55.69 53.76 1m6p s MET 116 Cb -0.14 -3.82 0.01 0.00 2.84 0.00 0.00 34.83 33.72 1m6p s MET 116 CO -0.08 -0.50 0.21 0.42 -0.65 0.00 0.00 175.02 174.43 1m6p s ILE 117 N 1.81 4.83 0.13 10.11 1.01 0.57 -1.55 121.20 138.12 1m6p s ILE 117 Ca 0.08 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1m6p s ILE 117 Cb -0.17 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 1m6p s ILE 117 CO 0.11 -0.11 0.34 -0.44 0.00 0.00 0.00 174.94 174.84 1m6p s SER 118 N 1.63 6.44 0.28 3.58 0.01 -0.27 -0.55 113.70 124.82 1m6p s SER 118 Ca 0.04 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.48 1m6p s SER 118 Cb -0.18 -2.04 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 1m6p s SER 118 CO 0.08 0.06 1.42 0.00 0.41 0.00 0.00 173.24 175.20 1m6p s ASN 120 N 0.12 -0.72 0.64 0.00 3.84 -1.16 -4.75 114.94 112.90 1m6p s ASN 120 Ca 0.56 0.11 0.43 0.00 0.21 0.00 0.00 52.86 54.17 1m6p s ASN 120 Cb -0.42 1.65 2.31 0.00 -0.55 0.00 0.00 41.25 44.24 1m6p s ASN 120 CO 0.47 -0.31 2.31 0.03 -2.79 0.00 0.00 177.10 176.81 1m6p h ARG 121 N 8.07 0.00 -0.00 0.43 2.47 -1.90 -2.12 114.38 121.33 1m6p h ARG 121 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1m6p h ARG 121 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1m6p h ARG 121 CO 0.22 0.00 -0.18 0.72 0.56 0.00 0.00 179.97 181.29 1m6p n HIS 122 N -3.01 0.00 -3.74 3.04 8.25 -1.26 -4.89 115.22 113.61 1m6p n HIS 122 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1m6p n HIS 122 Cb 0.07 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 30.90 1m6p n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1m6p s THR 123 N -2.56 0.03 0.21 1.59 -1.32 -1.12 -5.02 115.64 107.45 1m6p s THR 123 Ca 0.25 -0.23 -0.03 0.00 -1.21 0.00 0.00 61.69 60.47 1m6p s THR 123 Cb 0.19 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1m6p s THR 123 CO 0.51 -0.13 1.59 0.25 -2.21 0.00 0.00 174.62 174.63 1m6p h LEU 124 N 4.61 0.68 -7.00 9.08 5.85 -1.89 0.24 115.31 126.89 1m6p h LEU 124 Ca -0.28 -0.29 0.16 0.00 0.84 0.00 0.00 57.88 58.30 1m6p h LEU 124 Cb 1.18 -0.19 -0.30 0.00 0.37 0.00 0.00 40.66 41.72 1m6p h LEU 124 CO 0.34 0.98 0.59 0.00 -0.34 0.00 0.00 178.44 180.00 1m6p s ALA 125 N -4.35 -2.41 -0.02 1.25 0.00 -1.25 -3.75 121.76 111.23 1m6p s ALA 125 Ca -0.08 2.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 1m6p s ALA 125 Cb 0.12 -1.81 0.12 0.00 0.00 0.00 0.00 23.12 21.55 1m6p s ALA 125 CO 0.83 -0.30 1.30 0.34 0.00 0.00 0.00 175.76 177.93 1m6p s ASP 126 N 1.02 -0.05 -1.01 0.00 2.15 -0.23 -4.99 116.67 113.56 1m6p s ASP 126 Ca -0.06 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 1m6p s ASP 126 Cb -0.03 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 1m6p s ASP 126 CO -0.12 -0.28 0.36 0.59 -0.17 0.00 0.00 175.17 175.54 1m6p n ASN 127 N -0.54 -4.46 -4.70 -0.34 3.02 -1.26 -0.16 115.26 106.81 1m6p n ASN 127 Ca -0.08 -0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 1m6p n ASN 127 Cb 0.63 -3.36 -0.03 0.00 -0.61 0.00 0.00 39.78 36.41 1m6p n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1m6p s PHE 128 N -2.92 3.21 -0.08 3.10 5.36 -1.26 -4.23 117.98 121.16 1m6p s PHE 128 Ca 0.18 1.13 -0.28 0.00 -0.96 0.00 0.00 56.93 57.00 1m6p s PHE 128 Cb -0.08 -3.50 0.06 0.00 -0.34 0.00 0.00 43.02 39.17 1m6p s PHE 128 CO 0.22 -1.65 0.64 -0.80 -1.46 0.00 0.00 175.22 172.17 1m6p s ASN 129 N 1.39 -0.62 0.36 6.13 0.01 -0.49 -4.40 114.94 117.33 1m6p s ASN 129 Ca 0.59 0.75 -0.27 0.00 -0.71 0.00 0.00 52.86 53.23 1m6p s ASN 129 Cb -0.29 0.64 -0.09 0.00 0.41 0.00 0.00 41.25 41.92 1m6p s ASN 129 CO 0.26 -0.54 1.18 -2.84 -1.51 0.00 0.00 177.10 173.65 1m6p s PRO 130 N -0.97 4.23 -0.21 -0.60 0.02 -1.26 -1.54 135.00 134.67 1m6p s PRO 130 Ca -0.10 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 62.68 1m6p s PRO 130 Cb -0.01 -2.85 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 1m6p s PRO 130 CO 0.08 -0.19 -0.32 0.28 -0.33 0.00 0.00 177.00 176.53 1m6p n VAL 131 N 0.42 1.40 -3.65 3.83 0.31 0.67 -4.88 118.33 116.43 1m6p n VAL 131 Ca 0.02 -0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1m6p n VAL 131 Cb 0.45 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 1m6p n VAL 131 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1m6p s SER 132 N -6.74 -0.10 -0.14 4.52 1.04 -1.13 -5.02 113.70 106.14 1m6p s SER 132 Ca -0.31 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1m6p s SER 132 Cb 0.10 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1m6p s SER 132 CO 0.42 -0.46 -0.15 -0.70 0.98 0.00 0.00 173.24 173.32 1m6p s GLU 133 N -2.67 2.36 -0.47 4.02 2.12 -1.26 -0.74 118.70 122.07 1m6p s GLU 133 Ca 0.13 -0.59 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 1m6p s GLU 133 Cb 0.03 -2.08 0.05 0.00 0.26 0.00 0.00 34.13 32.39 1m6p s GLU 133 CO -0.02 -0.16 0.48 -2.00 -0.54 0.00 0.00 175.26 173.02 1m6p s GLU 134 N 1.27 3.06 -0.06 4.30 2.56 0.27 -4.84 118.70 125.26 1m6p s GLU 134 Ca 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 54.97 54.07 1m6p s GLU 134 Cb -0.14 -4.06 0.17 0.00 2.00 0.00 0.00 34.13 32.10 1m6p s GLU 134 CO -0.07 -1.03 1.08 2.89 -0.56 0.00 0.00 175.26 177.57 1m6p n ARG 135 N 5.65 0.53 -0.49 4.30 1.85 -1.26 -1.87 116.66 125.37 1m6p n ARG 135 Ca -0.09 -1.78 0.08 0.00 -1.00 0.00 0.00 57.85 55.06 1m6p n ARG 135 Cb 0.45 -0.85 0.28 0.00 -1.05 0.00 0.00 32.46 31.29 1m6p n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1m6p n GLY 136 N -0.50 3.53 3.70 2.89 0.00 -1.26 -4.23 105.19 109.32 1m6p n GLY 136 Ca 0.07 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 1m6p n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m6p s LYS 137 N -2.41 2.50 0.44 1.61 1.02 -1.26 -5.01 119.74 116.63 1m6p s LYS 137 Ca 0.42 -1.24 0.29 0.00 0.02 0.00 0.00 55.97 55.46 1m6p s LYS 137 Cb 0.32 -2.32 1.11 0.00 -0.52 0.00 0.00 37.83 36.42 1m6p s LYS 137 CO 0.13 0.40 1.86 -0.39 -0.92 0.00 0.00 175.35 176.42 1m6p h VAL 138 N 1.92 0.00 -2.33 3.17 -1.51 -1.94 -3.28 116.25 112.28 1m6p h VAL 138 Ca -0.46 -0.49 0.17 0.00 -1.23 0.00 0.00 66.70 64.69 1m6p h VAL 138 Cb 1.23 1.42 -0.09 0.00 -2.13 0.00 0.00 31.29 31.72 1m6p h VAL 138 CO 0.60 0.00 0.49 0.00 -1.23 0.00 0.00 177.57 177.43 1m6p s GLN 139 N -3.49 1.13 -1.09 5.19 -2.07 -1.26 -3.51 119.66 114.56 1m6p s GLN 139 Ca 0.03 -0.60 -0.04 0.00 -1.82 0.00 0.00 55.36 52.94 1m6p s GLN 139 Cb 0.09 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 1m6p s GLN 139 CO 0.52 -0.51 0.94 -0.25 -1.32 0.00 0.00 175.29 174.66 1m6p n ASP 140 N -0.43 -3.93 -4.88 12.60 8.00 -1.26 -5.03 116.55 121.62 1m6p n ASP 140 Ca -0.07 -0.49 -0.26 0.00 0.71 0.00 0.00 54.79 54.68 1m6p n ASP 140 Cb 0.61 -4.41 0.08 0.00 -0.02 0.00 0.00 41.12 37.38 1m6p n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m6p s PHE 142 N -3.33 -0.11 -0.13 0.00 -0.71 -0.78 -4.60 117.98 108.31 1m6p s PHE 142 Ca 0.61 0.04 -0.03 0.00 -1.04 0.00 0.00 56.93 56.52 1m6p s PHE 142 Cb -0.10 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1m6p s PHE 142 CO 0.46 -0.24 -0.03 0.71 -1.34 0.00 0.00 175.22 174.77 1m6p s TYR 143 N -2.46 3.05 -0.11 3.49 1.51 0.01 -0.56 117.35 122.28 1m6p s TYR 143 Ca 0.11 -0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1m6p s TYR 143 Cb 0.01 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1m6p s TYR 143 CO -0.04 0.15 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.29 1m6p s LEU 144 N -0.11 3.03 0.15 -1.29 2.96 0.09 -0.31 118.68 123.20 1m6p s LEU 144 Ca 0.03 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1m6p s LEU 144 Cb -0.13 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1m6p s LEU 144 CO 0.02 0.25 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.91 1m6p s PHE 145 N -0.17 1.13 0.05 5.38 0.40 0.11 -0.24 117.98 124.65 1m6p s PHE 145 Ca 0.01 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1m6p s PHE 145 Cb -0.13 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 1m6p s PHE 145 CO 0.03 -0.13 -0.06 -1.21 0.70 0.00 0.00 175.22 174.55 1m6p s GLU 146 N -3.86 0.54 0.08 0.44 2.02 -0.59 -1.00 118.70 116.32 1m6p s GLU 146 Ca 0.19 -0.87 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 1m6p s GLU 146 Cb 0.05 -0.13 0.06 0.00 0.10 0.00 0.00 34.13 34.21 1m6p s GLU 146 CO 0.01 -0.00 0.55 1.41 0.02 0.00 0.00 175.26 177.24 1m6p s MET 147 N -2.18 1.11 0.03 1.61 1.75 -0.59 -1.39 119.30 119.64 1m6p s MET 147 Ca -0.06 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.11 1m6p s MET 147 Cb -0.06 0.51 -0.04 0.00 2.84 0.00 0.00 34.83 38.09 1m6p s MET 147 CO -0.02 -0.43 0.04 -0.51 -0.65 0.00 0.00 175.02 173.45 1m6p s ASP 148 N -2.18 5.33 -0.29 1.11 1.01 0.77 -1.11 116.67 121.30 1m6p s ASP 148 Ca -0.03 0.01 -0.17 0.00 0.71 0.00 0.00 52.55 53.07 1m6p s ASP 148 Cb -0.00 -1.42 0.13 0.00 1.01 0.00 0.00 42.92 42.63 1m6p s ASP 148 CO -0.05 0.24 0.91 -0.55 0.21 0.00 0.00 175.17 175.94 1m6p s SER 149 N -1.87 -0.61 0.59 0.27 0.15 -0.17 -1.07 113.70 110.99 1m6p s SER 149 Ca 0.23 0.98 0.32 0.00 0.70 0.00 0.00 55.95 58.19 1m6p s SER 149 Cb -0.12 1.23 1.83 0.00 -1.71 0.00 0.00 66.02 67.25 1m6p s SER 149 CO 0.15 -0.16 2.22 0.77 1.20 0.00 0.00 173.24 177.42 1m6p h SER 150 N 6.17 0.00 0.21 5.45 4.64 0.18 -1.00 113.55 129.20 1m6p h SER 150 Ca -0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1m6p h SER 150 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1m6p h SER 150 CO 0.18 0.04 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.02 1m6p h LEU 151 N 0.00 0.00 -0.29 5.97 3.38 -1.82 -1.26 115.31 121.30 1m6p h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1m6p h LEU 151 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1m6p h LEU 151 CO 0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1m6p n ALA 152 N -2.34 2.61 -2.38 1.53 0.00 -0.39 -4.86 120.51 114.68 1m6p n ALA 152 Ca -0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 1m6p n ALA 152 Cb 0.19 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1m6p n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50