#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3p s VAL 2 N 0.00 2.09 -0.15 5.09 1.01 -1.26 -4.29 120.40 122.89 3h3p s VAL 2 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 3h3p s VAL 2 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3h3p s VAL 2 CO 0.00 0.57 -0.04 -1.10 0.00 0.00 0.00 175.10 174.53 3h3p s GLN 3 N -0.10 3.64 -0.14 2.72 -1.52 -0.07 -4.90 119.66 119.28 3h3p s GLN 3 Ca -0.05 -0.53 -0.03 0.00 -1.95 0.00 0.00 55.36 52.80 3h3p s GLN 3 Cb -0.14 -2.89 -0.03 0.00 -0.22 0.00 0.00 33.01 29.73 3h3p s GLN 3 CO 0.04 0.25 -0.05 -0.51 -0.25 0.00 0.00 175.29 174.77 3h3p s LEU 4 N 0.33 3.16 -0.08 2.90 1.43 -1.26 -1.01 118.68 124.14 3h3p s LEU 4 Ca -0.04 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3h3p s LEU 4 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3h3p s LEU 4 CO 0.03 0.19 -0.22 0.68 0.23 0.00 0.00 176.35 177.26 3h3p s VAL 5 N 0.24 1.86 0.23 -1.59 -7.23 -0.48 -4.23 120.40 109.20 3h3p s VAL 5 Ca -0.04 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 3h3p s VAL 5 Cb -0.14 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 3h3p s VAL 5 CO 0.03 0.52 0.38 -1.10 -0.31 0.00 0.00 175.10 174.62 3h3p s GLN 6 N 0.31 3.46 1.12 4.82 -0.21 -1.26 -1.05 119.66 126.86 3h3p s GLN 6 Ca -0.15 -0.57 -0.13 0.00 0.02 0.00 0.00 55.36 54.53 3h3p s GLN 6 Cb -0.17 -2.86 0.26 0.00 1.00 0.00 0.00 33.01 31.24 3h3p s GLN 6 CO 0.07 0.40 1.05 -1.54 -2.12 0.00 0.00 175.29 173.15 3h3p s SER 7 N -3.66 1.38 0.60 5.90 1.04 -0.48 -4.99 113.70 113.50 3h3p s SER 7 Ca 0.36 1.42 -0.00 0.00 0.48 0.00 0.00 55.95 58.21 3h3p s SER 7 Cb -0.10 -2.17 0.05 0.00 0.10 0.00 0.00 66.02 63.90 3h3p s SER 7 CO 0.30 -3.94 0.84 -0.83 0.98 0.00 0.00 173.24 170.60 3h3p s GLY 8 N -2.78 1.80 0.21 7.32 0.00 -1.26 -4.68 107.32 107.92 3h3p s GLY 8 Ca 0.68 -1.31 -0.29 0.00 0.00 0.00 0.00 44.72 43.80 3h3p s GLY 8 CO 0.63 -0.97 0.72 0.00 0.00 0.00 0.00 173.10 173.48 3h3p n ALA 9 N -2.50 -2.13 -2.86 3.20 0.00 -1.26 -4.86 120.51 110.09 3h3p n ALA 9 Ca 0.09 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.84 3h3p n ALA 9 Cb 0.60 -1.75 -0.13 0.00 0.00 0.00 0.00 19.45 18.17 3h3p n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h3p s GLU 10 N -1.03 0.30 -0.19 0.00 2.12 -0.82 -5.02 118.70 114.05 3h3p s GLU 10 Ca 0.65 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.63 3h3p s GLU 10 Cb -0.89 -0.14 0.02 0.00 0.26 0.00 0.00 34.13 33.37 3h3p s GLU 10 CO 0.57 0.03 -0.17 0.08 -0.54 0.00 0.00 175.26 175.23 3h3p s VAL 11 N -0.66 2.27 0.19 3.70 1.01 -1.26 -2.03 120.40 123.61 3h3p s VAL 11 Ca -0.05 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.12 3h3p s VAL 11 Cb -0.05 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3h3p s VAL 11 CO -0.00 0.49 -0.21 -0.54 0.00 0.00 0.00 175.10 174.84 3h3p s LYS 12 N 1.31 1.41 0.14 2.72 -0.14 0.48 -4.99 119.74 120.67 3h3p s LYS 12 Ca 0.04 -1.49 -0.00 0.00 -1.36 0.00 0.00 55.97 53.16 3h3p s LYS 12 Cb -0.14 -1.59 -0.04 0.00 -1.68 0.00 0.00 37.83 34.38 3h3p s LYS 12 CO -0.11 0.33 0.30 1.03 -0.76 0.00 0.00 175.35 176.14 3h3p s ARG 13 N -2.81 3.49 0.36 1.68 0.52 -1.26 -1.75 118.95 119.19 3h3p s ARG 13 Ca 0.19 -0.41 -0.26 0.00 -0.52 0.00 0.00 55.73 54.72 3h3p s ARG 13 Cb -0.07 -2.94 -0.12 0.00 0.52 0.00 0.00 34.95 32.35 3h3p s ARG 13 CO 0.09 0.51 1.11 -2.30 0.02 0.00 0.00 175.30 174.72 3h3p n PRO 14 N -0.26 1.62 -0.48 3.54 -0.02 -1.26 -2.41 135.00 135.72 3h3p n PRO 14 Ca -0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3h3p n PRO 14 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3h3p n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3p n GLY 15 N 1.04 0.74 1.70 -1.23 0.00 0.21 -4.94 105.19 102.71 3h3p n GLY 15 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3h3p n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h3p n SER 16 N 0.00 1.09 -4.36 1.61 3.41 -1.01 -4.55 113.62 109.81 3h3p n SER 16 Ca 0.00 -1.70 -0.27 0.00 -0.26 0.00 0.00 58.87 56.64 3h3p n SER 16 Cb 0.00 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 3h3p n SER 16 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3h3p s SER 17 N -2.54 3.05 0.00 4.04 0.15 -1.26 -2.12 113.70 115.02 3h3p s SER 17 Ca 0.24 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 56.19 3h3p s SER 17 Cb -0.02 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 3h3p s SER 17 CO 0.15 0.13 -0.12 0.54 1.20 0.00 0.00 173.24 175.15 3h3p s VAL 18 N -1.15 0.93 -0.12 4.45 0.11 -0.13 -5.00 120.40 119.48 3h3p s VAL 18 Ca 0.12 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3h3p s VAL 18 Cb -0.10 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3h3p s VAL 18 CO 0.06 0.20 -0.14 0.42 -3.33 0.00 0.00 175.10 172.30 3h3p s THR 19 N -0.39 1.49 -0.10 5.04 -4.23 -1.26 -1.14 115.64 115.06 3h3p s THR 19 Ca 0.04 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3h3p s THR 19 Cb -0.05 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 3h3p s THR 19 CO -0.00 0.44 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.74 3h3p s VAL 20 N 1.22 3.48 0.01 2.29 1.01 0.16 -4.95 120.40 123.63 3h3p s VAL 20 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3h3p s VAL 20 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3h3p s VAL 20 CO -0.05 0.56 0.12 -0.94 0.00 0.00 0.00 175.10 174.78 3h3p s SER 21 N -0.26 5.90 -0.18 3.32 1.04 -1.26 -1.18 113.70 121.08 3h3p s SER 21 Ca 0.03 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 3h3p s SER 21 Cb -0.13 -1.74 0.05 0.00 0.10 0.00 0.00 66.02 64.31 3h3p s SER 21 CO 0.03 0.25 -0.01 0.00 0.98 0.00 0.00 173.24 174.48 3h3p s LYS 23 N 1.74 4.08 -0.13 0.00 2.20 -0.21 -0.71 119.74 126.71 3h3p s LYS 23 Ca -0.01 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.37 3h3p s LYS 23 Cb -0.16 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3h3p s LYS 23 CO -0.07 0.37 -0.01 0.00 -0.36 0.00 0.00 175.35 175.27 3h3p s ALA 24 N 0.16 3.15 -0.00 3.13 0.00 0.56 -1.38 121.76 127.38 3h3p s ALA 24 Ca 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3h3p s ALA 24 Cb -0.11 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3h3p s ALA 24 CO -0.01 0.36 -0.08 0.45 0.00 0.00 0.00 175.76 176.49 3h3p s SER 25 N -0.15 0.92 0.00 0.00 0.15 -0.18 -4.75 113.70 109.68 3h3p s SER 25 Ca 0.04 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3h3p s SER 25 Cb -0.13 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 3h3p s SER 25 CO 0.02 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3h3p n GLY 26 N 2.75 0.93 7.00 9.45 0.00 -1.26 -0.90 105.19 123.16 3h3p n GLY 26 Ca -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3h3p n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3p n GLY 27 N 0.94 1.21 3.28 -0.02 0.00 -1.26 -4.75 105.19 104.60 3h3p n GLY 27 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 3h3p n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h3p s SER 28 N -4.00 2.57 -0.23 1.61 1.04 -1.26 -5.09 113.70 108.34 3h3p s SER 28 Ca 0.00 -0.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 3h3p s SER 28 Cb 0.00 -0.17 -0.18 0.00 0.10 0.00 0.00 66.02 65.77 3h3p s SER 28 CO 0.00 0.11 -0.11 0.33 0.98 0.00 0.00 173.24 174.55 3h3p n PHE 29 N 1.37 0.29 0.01 5.02 7.35 -1.26 -4.71 117.46 125.53 3h3p n PHE 29 Ca -0.19 0.07 -0.02 0.00 -0.76 0.00 0.00 57.45 56.55 3h3p n PHE 29 Cb 0.53 -1.04 0.24 0.00 0.35 0.00 0.00 39.48 39.57 3h3p n PHE 29 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3h3p h SER 30 N -0.13 0.48 -0.34 -2.13 0.02 -1.97 -3.27 113.55 106.21 3h3p h SER 30 Ca -0.56 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.11 3h3p h SER 30 Cb 1.88 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 64.20 3h3p h SER 30 CO -0.10 0.65 -0.05 0.35 -1.14 0.00 0.00 176.83 176.55 3h3p n THR 31 N -4.19 2.51 -5.00 -2.27 -2.24 -1.26 -1.38 114.28 100.44 3h3p n THR 31 Ca 0.00 -2.57 -0.28 0.00 -2.27 0.00 0.00 64.05 58.94 3h3p n THR 31 Cb 0.34 -0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.10 3h3p n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3h3p s TYR 32 N -3.17 1.91 0.13 4.78 1.51 -1.23 -5.00 117.35 116.27 3h3p s TYR 32 Ca 0.44 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 3h3p s TYR 32 Cb 0.39 -1.25 -0.06 0.00 -0.11 0.00 0.00 41.96 40.93 3h3p s TYR 32 CO 0.02 -0.11 1.06 0.00 -1.11 0.00 0.00 175.55 175.41 3h3p s ALA 33 N -0.27 3.32 -0.14 3.71 0.00 -1.26 -4.54 121.76 122.58 3h3p s ALA 33 Ca 0.02 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3h3p s ALA 33 Cb -0.10 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3h3p s ALA 33 CO 0.01 -0.19 -0.22 -1.17 0.00 0.00 0.00 175.76 174.19 3h3p s LEU 34 N 0.07 2.13 0.21 0.00 0.20 0.03 -0.81 118.68 120.51 3h3p s LEU 34 Ca 0.50 -0.60 0.09 0.00 0.69 0.00 0.00 54.13 54.81 3h3p s LEU 34 Cb -0.27 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 3h3p s LEU 34 CO 0.32 0.08 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.97 3h3p s SER 35 N 0.82 4.45 -0.19 3.68 0.01 0.36 -0.78 113.70 122.04 3h3p s SER 35 Ca -0.07 -0.58 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 3h3p s SER 35 Cb -0.15 -0.82 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 3h3p s SER 35 CO -0.02 0.06 0.01 0.26 0.41 0.00 0.00 173.24 173.96 3h3p s TRP 36 N -1.96 3.08 -0.10 2.43 0.52 -0.00 -0.33 118.94 122.58 3h3p s TRP 36 Ca 0.28 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.11 3h3p s TRP 36 Cb -0.08 -2.05 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3h3p s TRP 36 CO 0.18 -0.10 -0.09 0.08 0.02 0.00 0.00 176.95 177.03 3h3p s VAL 37 N 0.72 1.07 0.36 4.03 1.01 0.41 -1.52 120.40 126.48 3h3p s VAL 37 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3h3p s VAL 37 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3h3p s VAL 37 CO 0.02 0.37 0.21 0.00 0.00 0.00 0.00 175.10 175.70 3h3p s ARG 38 N 1.45 2.42 -0.24 2.72 1.70 0.15 -0.85 118.95 126.29 3h3p s ARG 38 Ca 0.00 -1.56 -0.02 0.00 -0.47 0.00 0.00 55.73 53.68 3h3p s ARG 38 Cb -0.13 -2.22 0.12 0.00 -0.57 0.00 0.00 34.95 32.15 3h3p s ARG 38 CO -0.05 0.02 0.30 -1.14 -1.08 0.00 0.00 175.30 173.35 3h3p s GLN 39 N -3.92 0.29 0.72 3.89 0.74 -0.27 -0.65 119.66 120.45 3h3p s GLN 39 Ca 0.40 0.24 -0.14 0.00 0.05 0.00 0.00 55.36 55.91 3h3p s GLN 39 Cb -0.02 -0.78 0.03 0.00 1.10 0.00 0.00 33.01 33.35 3h3p s GLN 39 CO 0.24 -0.76 1.15 0.00 -0.55 0.00 0.00 175.29 175.37 3h3p s ALA 40 N 2.42 2.22 0.31 1.58 0.00 -1.26 -1.42 121.76 125.60 3h3p s ALA 40 Ca 0.10 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 3h3p s ALA 40 Cb -0.15 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 3h3p s ALA 40 CO -0.19 -1.70 1.38 -2.14 0.00 0.00 0.00 175.76 173.11 3h3p s PRO 41 N -4.15 4.29 0.00 0.00 0.02 -1.26 -1.96 135.00 131.94 3h3p s PRO 41 Ca 0.69 2.29 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3h3p s PRO 41 Cb -0.24 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3h3p s PRO 41 CO 0.46 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 3h3p n GLY 42 N 1.29 2.10 0.98 0.52 0.00 -1.26 -4.94 105.19 103.88 3h3p n GLY 42 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 3h3p n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3p n ARG 43 N -1.99 1.35 -3.14 1.61 1.74 -0.83 -5.15 116.66 110.25 3h3p n ARG 43 Ca 0.00 -0.91 -0.20 0.00 -0.77 0.00 0.00 57.85 55.97 3h3p n ARG 43 Cb 0.00 0.12 0.05 0.00 -1.02 0.00 0.00 32.46 31.61 3h3p n ARG 43 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h3p s GLY 44 N -2.14 1.83 0.36 -0.13 0.00 -1.26 -4.65 107.32 101.33 3h3p s GLY 44 Ca 0.07 -1.99 -0.26 0.00 0.00 0.00 0.00 44.72 42.53 3h3p s GLY 44 CO 0.04 -1.69 1.11 1.08 0.00 0.00 0.00 173.10 173.63 3h3p s LEU 45 N -4.58 4.31 -0.09 0.66 1.43 -1.26 -4.30 118.68 114.85 3h3p s LEU 45 Ca 0.58 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 3h3p s LEU 45 Cb -0.06 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.27 3h3p s LEU 45 CO 0.36 -0.42 -0.01 -1.61 0.23 0.00 0.00 176.35 174.90 3h3p s GLU 46 N -2.05 0.77 -0.01 1.70 8.01 0.17 -4.99 118.70 122.30 3h3p s GLU 46 Ca 0.53 -0.02 -0.30 0.00 0.01 0.00 0.00 54.97 55.19 3h3p s GLU 46 Cb -0.28 -1.22 -0.04 0.00 -4.31 0.00 0.00 34.13 28.28 3h3p s GLU 46 CO 0.36 -0.34 1.20 -0.46 0.01 0.00 0.00 175.26 176.03 3h3p s TRP 47 N 1.91 3.27 -0.17 1.61 -0.00 -1.26 -0.68 118.94 123.63 3h3p s TRP 47 Ca 0.04 1.24 0.06 0.00 -0.00 0.00 0.00 56.10 57.44 3h3p s TRP 47 Cb -0.13 -3.42 -0.14 0.00 -0.00 0.00 0.00 33.47 29.78 3h3p s TRP 47 CO -0.06 -1.32 -0.08 -1.33 -0.00 0.00 0.00 176.95 174.16 3h3p n MET 48 N 4.72 0.92 -3.82 5.86 2.81 -0.58 -4.80 117.12 122.23 3h3p n MET 48 Ca 0.10 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 3h3p n MET 48 Cb 0.46 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 3h3p n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h3p n GLY 49 N 2.43 -2.14 3.81 3.03 0.00 -1.24 -1.02 105.19 110.05 3h3p n GLY 49 Ca -0.29 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 3h3p n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3p s GLY 50 N 0.00 -0.03 0.02 -0.02 0.00 -0.10 -0.82 107.32 106.36 3h3p s GLY 50 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.52 3h3p s GLY 50 CO 0.00 0.44 -0.03 0.54 0.00 0.00 0.00 173.10 174.05 3h3p s VAL 51 N -3.02 0.12 -0.33 1.40 0.11 0.04 -2.09 120.40 116.63 3h3p s VAL 51 Ca 0.15 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 58.15 3h3p s VAL 51 Cb -0.03 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3h3p s VAL 51 CO 0.05 -0.52 0.16 -0.63 -3.33 0.00 0.00 175.10 170.84 3h3p s ILE 52 N -1.56 4.54 0.28 7.04 1.01 -0.46 -0.79 121.20 131.25 3h3p s ILE 52 Ca -0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3h3p s ILE 52 Cb -0.09 -3.38 0.28 0.00 0.01 0.00 0.00 42.46 39.27 3h3p s ILE 52 CO -0.01 -0.03 1.87 -0.65 0.00 0.00 0.00 174.94 176.13 3h3p h PRO 53 N 8.37 1.08 -6.16 2.79 0.11 -1.79 -1.91 132.00 134.48 3h3p h PRO 53 Ca -0.30 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.18 3h3p h PRO 53 Cb 1.13 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3h3p h PRO 53 CO 0.63 0.71 1.35 -1.17 -0.21 0.00 0.00 178.00 179.31 3h3p s LEU 54 N -10.16 3.79 0.00 2.35 2.96 -0.48 -0.82 118.68 116.33 3h3p s LEU 54 Ca -0.12 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.80 3h3p s LEU 54 Cb 0.21 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.38 3h3p s LEU 54 CO 0.81 -1.58 0.00 0.18 -1.32 0.00 0.00 176.35 174.44 3h3p n LEU 55 N 9.94 0.22 -3.93 -0.68 4.77 -1.26 -4.04 117.00 122.02 3h3p n LEU 55 Ca 0.25 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.84 3h3p n LEU 55 Cb 0.44 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3h3p n LEU 55 CO 0.67 -0.16 -0.15 0.41 -1.33 0.00 0.00 177.39 176.82 3h3p n THR 56 N -2.36 -3.61 -2.75 -5.08 -1.04 0.00 -4.87 114.28 94.57 3h3p n THR 56 Ca 0.00 -0.54 -0.43 0.00 -2.04 0.00 0.00 64.05 61.04 3h3p n THR 56 Cb 0.05 -2.91 -0.04 0.00 -1.82 0.00 0.00 70.33 65.61 3h3p n THR 56 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3h3p s ILE 57 N -3.40 4.28 0.41 12.58 1.01 -0.74 -4.90 121.20 130.46 3h3p s ILE 57 Ca 0.38 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.59 3h3p s ILE 57 Cb -0.19 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 37.68 3h3p s ILE 57 CO 0.93 -1.15 0.61 0.42 0.00 0.00 0.00 174.94 175.75 3h3p s THR 58 N 4.24 4.06 -0.26 2.92 -4.23 -1.26 -1.35 115.64 119.76 3h3p s THR 58 Ca 0.35 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 3h3p s THR 58 Cb -0.11 -3.48 0.11 0.00 1.34 0.00 0.00 72.50 70.37 3h3p s THR 58 CO 0.22 -0.29 0.58 0.21 -0.54 0.00 0.00 174.62 174.79 3h3p s ASN 59 N -4.20 -0.84 -0.05 3.99 2.47 -0.89 -5.00 114.94 110.42 3h3p s ASN 59 Ca 0.47 1.37 0.04 0.00 0.42 0.00 0.00 52.86 55.17 3h3p s ASN 59 Cb -0.10 1.87 -0.00 0.00 -1.45 0.00 0.00 41.25 41.57 3h3p s ASN 59 CO 0.36 -0.22 -0.18 -0.31 -3.72 0.00 0.00 177.10 173.02 3h3p s TYR 60 N 2.62 1.88 0.22 0.43 4.12 -1.26 -0.93 117.35 124.43 3h3p s TYR 60 Ca -0.05 -0.58 -0.32 0.00 0.02 0.00 0.00 57.07 56.13 3h3p s TYR 60 Cb -0.11 -1.27 -0.13 0.00 -1.52 0.00 0.00 41.96 38.93 3h3p s TYR 60 CO -0.17 -0.21 1.54 0.00 0.02 0.00 0.00 175.55 176.73 3h3p n ALA 61 N 3.22 1.72 -0.31 3.71 0.00 -0.19 -4.90 120.51 123.76 3h3p n ALA 61 Ca -0.19 0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.81 3h3p n ALA 61 Cb 0.53 -2.37 0.33 0.00 0.00 0.00 0.00 19.45 17.93 3h3p n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3h3p h PRO 62 N 5.22 0.36 0.00 0.00 0.11 -1.97 -2.11 132.00 133.61 3h3p h PRO 62 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h3p h PRO 62 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h3p h PRO 62 CO 0.83 0.24 0.00 2.89 -0.21 0.00 0.00 178.00 181.75 3h3p n ARG 63 N -5.07 0.01 0.00 1.05 1.85 -1.26 -1.33 116.66 111.90 3h3p n ARG 63 Ca 0.23 0.32 0.05 0.00 -1.00 0.00 0.00 57.85 57.45 3h3p n ARG 63 Cb 0.70 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.62 3h3p n ARG 63 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h3p n PHE 64 N -1.49 0.00 -1.69 2.89 3.01 -0.81 -4.99 117.46 114.39 3h3p n PHE 64 Ca 0.03 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 3h3p n PHE 64 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 3h3p n PHE 64 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3h3p n GLN 65 N -0.04 2.28 0.00 -1.08 -0.06 -0.44 -1.16 117.38 116.88 3h3p n GLN 65 Ca 0.05 0.82 0.00 0.00 -2.00 0.00 0.00 57.00 55.87 3h3p n GLN 65 Cb 0.24 -2.57 0.00 0.00 -4.06 0.00 0.00 30.24 23.85 3h3p n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3h3p n GLY 66 N 2.97 3.22 0.00 1.69 0.00 -1.26 -4.79 105.19 107.03 3h3p n GLY 66 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3h3p n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3p n ARG 67 N -1.24 1.16 -4.57 1.61 1.74 -0.31 -4.99 116.66 110.06 3h3p n ARG 67 Ca 0.00 -0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.69 3h3p n ARG 67 Cb 0.00 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 3h3p n ARG 67 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3h3p s ILE 68 N -2.79 3.11 -0.05 0.55 2.07 -1.01 -0.92 121.20 122.15 3h3p s ILE 68 Ca -0.01 -1.06 -0.02 0.00 -1.41 0.00 0.00 60.65 58.16 3h3p s ILE 68 Cb 0.11 -2.34 0.04 0.00 0.13 0.00 0.00 42.46 40.40 3h3p s ILE 68 CO 0.64 0.34 0.11 -0.89 -1.91 0.00 0.00 174.94 173.23 3h3p s THR 69 N -0.97 -0.08 -0.11 4.00 2.01 -0.07 -4.97 115.64 115.45 3h3p s THR 69 Ca 0.16 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.40 3h3p s THR 69 Cb -0.11 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 3h3p s THR 69 CO 0.07 0.09 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.28 3h3p s ILE 70 N 1.31 2.66 0.08 1.82 1.01 -1.26 -0.57 121.20 126.24 3h3p s ILE 70 Ca -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3h3p s ILE 70 Cb -0.12 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3h3p s ILE 70 CO -0.05 0.54 -0.07 0.42 0.00 0.00 0.00 174.94 175.78 3h3p s THR 71 N 0.25 0.67 0.00 2.92 -4.23 -0.67 -4.98 115.64 109.60 3h3p s THR 71 Ca -0.12 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3h3p s THR 71 Cb -0.16 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.29 3h3p s THR 71 CO 0.06 -0.72 -0.04 0.00 -0.54 0.00 0.00 174.62 173.38 3h3p s ALA 72 N -2.95 0.32 -0.23 3.99 0.00 -1.26 0.32 121.76 121.95 3h3p s ALA 72 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3h3p s ALA 72 Cb 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.11 3h3p s ALA 72 CO -0.03 0.06 -0.10 0.34 0.00 0.00 0.00 175.76 176.03 3h3p s ASP 73 N -0.21 3.82 0.31 0.00 -1.08 0.54 -5.00 116.67 115.05 3h3p s ASP 73 Ca 0.00 -1.10 0.15 0.00 -0.52 0.00 0.00 52.55 51.08 3h3p s ASP 73 Cb -0.02 -1.33 0.39 0.00 -1.46 0.00 0.00 42.92 40.49 3h3p s ASP 73 CO -0.00 -0.17 1.60 0.03 0.52 0.00 0.00 175.17 177.14 3h3p h ARG 74 N 7.90 0.00 0.00 4.34 3.08 -1.94 -1.57 114.38 126.19 3h3p h ARG 74 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3h3p h ARG 74 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3h3p h ARG 74 CO 0.47 0.52 0.00 0.66 -1.07 0.00 0.00 179.97 180.55 3h3p h SER 75 N 0.00 0.00 -0.03 7.04 4.64 -1.96 -3.26 113.55 119.98 3h3p h SER 75 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3h3p h SER 75 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3h3p h SER 75 CO 0.07 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.38 3h3p n THR 76 N -2.76 0.59 -3.50 2.95 -2.24 -1.12 -4.99 114.28 103.22 3h3p n THR 76 Ca 0.04 -0.80 -0.26 0.00 -2.27 0.00 0.00 64.05 60.77 3h3p n THR 76 Cb 0.47 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3h3p n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h3p n SER 77 N -0.19 -4.10 -4.23 3.42 7.64 -0.62 -4.59 113.62 110.95 3h3p n SER 77 Ca 0.01 -0.50 -0.32 0.00 1.01 0.00 0.00 58.87 59.08 3h3p n SER 77 Cb 0.17 -3.36 -0.17 0.00 -1.01 0.00 0.00 64.21 59.85 3h3p n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h3p s THR 78 N -3.05 2.02 0.12 0.44 2.01 -1.02 -0.33 115.64 115.83 3h3p s THR 78 Ca 0.47 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.51 3h3p s THR 78 Cb -0.24 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 3h3p s THR 78 CO 0.58 0.55 -0.01 0.00 -0.69 0.00 0.00 174.62 175.05 3h3p s ALA 79 N 0.20 3.23 -0.03 7.40 0.00 0.12 -0.34 121.76 132.34 3h3p s ALA 79 Ca -0.14 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3h3p s ALA 79 Cb -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3h3p s ALA 79 CO 0.07 0.63 -0.11 0.71 0.00 0.00 0.00 175.76 177.07 3h3p s TYR 80 N -1.42 1.09 -0.18 0.00 1.51 0.15 -0.56 117.35 117.94 3h3p s TYR 80 Ca 0.26 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 3h3p s TYR 80 Cb -0.11 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 3h3p s TYR 80 CO 0.18 -0.11 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.28 3h3p s LEU 81 N 0.16 2.99 -0.20 -1.29 2.96 -0.32 -1.67 118.68 121.31 3h3p s LEU 81 Ca -0.03 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3h3p s LEU 81 Cb -0.09 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.87 3h3p s LEU 81 CO 0.01 0.08 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.29 3h3p s GLU 82 N 0.88 3.17 -0.13 1.98 2.12 0.26 -0.67 118.70 126.32 3h3p s GLU 82 Ca -0.01 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.60 3h3p s GLU 82 Cb -0.15 -2.77 0.02 0.00 0.26 0.00 0.00 34.13 31.49 3h3p s GLU 82 CO 0.01 -0.20 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.21 3h3p s LEU 83 N 1.35 1.76 0.00 2.70 2.96 -0.29 -0.90 118.68 126.26 3h3p s LEU 83 Ca 0.05 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3h3p s LEU 83 Cb -0.14 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.39 3h3p s LEU 83 CO -0.08 -0.01 0.07 -0.46 -1.32 0.00 0.00 176.35 174.55 3h3p n ASN 84 N 4.44 2.43 -3.89 3.68 0.23 -0.09 -0.96 115.26 121.11 3h3p n ASN 84 Ca -0.18 -2.06 -0.24 0.00 -0.53 0.00 0.00 54.58 51.56 3h3p n ASN 84 Cb 0.51 0.11 -0.01 0.00 -2.08 0.00 0.00 39.78 38.31 3h3p n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3h3p n SER 85 N -1.41 -0.52 -4.77 0.53 7.64 -1.10 -4.89 113.62 109.10 3h3p n SER 85 Ca -0.07 -0.96 -0.37 0.00 1.01 0.00 0.00 58.87 58.47 3h3p n SER 85 Cb 0.32 -3.31 -0.02 0.00 -1.01 0.00 0.00 64.21 60.19 3h3p n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h3p s LEU 86 N -6.89 4.13 0.15 -3.43 1.43 -0.90 -4.75 118.68 108.42 3h3p s LEU 86 Ca 0.01 2.26 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 3h3p s LEU 86 Cb -0.00 -4.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 3h3p s LEU 86 CO 0.87 -0.71 -0.05 -0.13 0.23 0.00 0.00 176.35 176.56 3h3p s ARG 87 N -2.46 1.05 0.45 1.70 0.52 -1.26 -0.62 118.95 118.33 3h3p s ARG 87 Ca 0.59 -1.47 0.18 0.00 -0.52 0.00 0.00 55.73 54.51 3h3p s ARG 87 Cb -0.28 -0.42 1.13 0.00 0.52 0.00 0.00 34.95 35.91 3h3p s ARG 87 CO 0.35 -0.03 1.92 -1.35 0.02 0.00 0.00 175.30 176.22 3h3p h PRO 88 N 2.77 0.31 0.00 3.54 0.11 -1.98 0.42 132.00 137.17 3h3p h PRO 88 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3h3p h PRO 88 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h3p h PRO 88 CO 0.64 0.21 0.16 1.49 -0.21 0.00 0.00 178.00 180.29 3h3p h GLU 89 N 0.32 0.00 -0.00 1.05 4.81 -1.97 -0.73 114.58 118.06 3h3p h GLU 89 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3h3p h GLU 89 Cb 0.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3h3p h GLU 89 CO -0.10 0.00 -0.21 -0.25 -0.73 0.00 0.00 179.01 177.72 3h3p n ASP 90 N -2.25 0.68 -4.68 1.04 8.00 0.15 -4.87 116.55 114.63 3h3p n ASP 90 Ca -0.01 -0.62 -0.48 0.00 0.71 0.00 0.00 54.79 54.40 3h3p n ASP 90 Cb 0.19 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 3h3p n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3h3p n THR 91 N -0.92 0.45 -3.69 -3.53 -1.04 -0.28 -4.86 114.28 100.41 3h3p n THR 91 Ca 0.12 -0.08 0.03 0.00 -2.04 0.00 0.00 64.05 62.08 3h3p n THR 91 Cb 0.32 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 3h3p n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h3p s ALA 92 N 3.35 -2.47 -0.15 2.41 0.00 -0.57 -4.47 121.76 119.86 3h3p s ALA 92 Ca 0.89 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 3h3p s ALA 92 Cb -0.68 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3h3p s ALA 92 CO 0.48 -1.09 0.33 0.08 0.00 0.00 0.00 175.76 175.57 3h3p s VAL 93 N -2.14 5.28 -0.13 0.00 1.01 -0.51 -0.46 120.40 123.45 3h3p s VAL 93 Ca 0.19 0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 3h3p s VAL 93 Cb 0.05 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3h3p s VAL 93 CO -0.05 0.37 -0.04 -0.31 0.00 0.00 0.00 175.10 175.07 3h3p s TYR 94 N 0.52 3.02 -0.03 5.22 1.51 0.65 -1.11 117.35 127.12 3h3p s TYR 94 Ca 0.18 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 56.11 3h3p s TYR 94 Cb -0.13 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 3h3p s TYR 94 CO 0.05 0.06 -0.25 0.71 -1.11 0.00 0.00 175.55 175.01 3h3p s TYR 95 N 0.06 2.34 0.14 2.71 1.51 -0.03 -0.35 117.35 123.74 3h3p s TYR 95 Ca -0.00 -0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 55.44 3h3p s TYR 95 Cb -0.13 -1.52 -0.06 0.00 -0.11 0.00 0.00 41.96 40.14 3h3p s TYR 95 CO 0.03 -0.10 0.43 0.00 -1.11 0.00 0.00 175.55 174.80 3h3p s ALA 97 N -1.61 -0.81 0.11 0.00 0.00 0.55 -1.83 121.76 118.17 3h3p s ALA 97 Ca 0.40 1.24 0.10 0.00 0.00 0.00 0.00 51.96 53.70 3h3p s ALA 97 Cb -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3h3p s ALA 97 CO 0.22 -0.40 -0.23 0.50 0.00 0.00 0.00 175.76 175.84 3h3p s ARG 98 N 1.77 1.63 0.58 0.00 6.06 -0.52 0.13 118.95 128.61 3h3p s ARG 98 Ca -0.06 -1.23 -0.18 0.00 -2.50 0.00 0.00 55.73 51.76 3h3p s ARG 98 Cb -0.10 -2.01 -0.08 0.00 0.06 0.00 0.00 34.95 32.82 3h3p s ARG 98 CO -0.11 0.48 0.61 -1.91 -2.50 0.00 0.00 175.30 171.87 3h3p n GLU 99 N 1.03 0.57 -2.59 5.12 2.13 0.01 -2.65 120.64 124.24 3h3p n GLU 99 Ca -0.17 0.22 -0.23 0.00 0.66 0.00 0.00 57.16 57.65 3h3p n GLU 99 Cb 0.53 -1.80 0.08 0.00 0.27 0.00 0.00 31.44 30.53 3h3p n GLU 99 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3h3p s GLY 100 N -1.21 1.78 0.10 8.31 0.00 -0.75 -4.47 107.32 111.08 3h3p s GLY 100 Ca 0.70 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3h3p s GLY 100 CO 0.53 -1.11 -0.05 -0.51 0.00 0.00 0.00 173.10 171.96 3h3p s THR 101 N -3.03 0.59 -0.06 0.90 -4.23 -1.26 -1.21 115.64 107.35 3h3p s THR 101 Ca 0.63 -1.92 -0.09 0.00 -1.18 0.00 0.00 61.69 59.14 3h3p s THR 101 Cb -0.07 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 72.00 3h3p s THR 101 CO 0.43 -0.83 0.24 0.42 -0.54 0.00 0.00 174.62 174.33 3h3p s THR 102 N -3.69 5.34 0.00 3.99 -4.23 -0.16 -4.89 115.64 112.00 3h3p s THR 102 Ca 0.13 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 3h3p s THR 102 Cb 0.06 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.38 3h3p s THR 102 CO -0.04 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 3h3p n GLY 103 N 1.72 2.16 0.06 3.99 0.00 -1.26 -4.28 105.19 107.58 3h3p n GLY 103 Ca -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 3h3p n GLY 103 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h3p n TRP 106 N 0.00 0.00 -0.37 1.61 8.01 -1.26 -5.04 117.44 120.40 3h3p n TRP 106 Ca 0.00 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.23 3h3p n TRP 106 Cb 0.00 -0.77 0.28 0.00 -2.01 0.00 0.00 31.31 28.81 3h3p n TRP 106 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.69 178.15 3h3p n LEU 107 N -2.53 4.46 -4.92 -0.99 -0.00 -1.26 -4.72 117.00 107.05 3h3p n LEU 107 Ca -0.21 -2.27 -0.28 0.00 -0.00 0.00 0.00 56.01 53.26 3h3p n LEU 107 Cb 0.90 -0.64 0.09 0.00 -0.00 0.00 0.00 43.42 43.77 3h3p n LEU 107 CO 0.43 0.54 0.72 -0.83 -0.00 0.00 0.00 177.39 178.25 3h3p s GLY 108 N -0.56 1.65 0.07 1.47 0.00 -1.26 -4.99 107.32 103.70 3h3p s GLY 108 Ca 0.39 -0.82 -0.36 0.00 0.00 0.00 0.00 44.72 43.94 3h3p s GLY 108 CO 0.11 -0.34 1.54 1.17 0.00 0.00 0.00 173.10 175.57 3h3p n LYS 109 N -3.18 1.68 -2.05 2.90 4.81 -1.26 -4.36 118.16 116.70 3h3p n LYS 109 Ca 0.09 0.61 -0.37 0.00 -0.87 0.00 0.00 58.31 57.76 3h3p n LYS 109 Cb 0.61 -2.33 0.02 0.00 0.02 0.00 0.00 35.03 33.34 3h3p n LYS 109 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3h3p s PRO 110 N 1.33 3.40 0.00 1.64 0.04 -1.26 -0.99 135.00 139.15 3h3p s PRO 110 Ca 0.84 1.93 0.16 0.00 0.04 0.00 0.00 61.00 63.97 3h3p s PRO 110 Cb -0.82 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3h3p s PRO 110 CO 0.45 -0.89 0.84 0.44 0.04 0.00 0.00 177.00 177.88 3h3p n ILE 111 N -0.89 0.00 0.00 0.56 -5.35 -0.35 -4.87 119.36 108.46 3h3p n ILE 111 Ca 0.10 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3h3p n ILE 111 Cb 0.47 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 3h3p n ILE 111 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h3p n GLY 112 N 1.11 1.83 3.78 3.28 0.00 -1.26 -4.93 105.19 108.99 3h3p n GLY 112 Ca 0.07 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3h3p n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3p s ALA 113 N 0.00 2.48 -0.64 4.61 0.00 -1.26 -4.69 121.76 122.26 3h3p s ALA 113 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 3h3p s ALA 113 Cb 0.00 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.93 3h3p s ALA 113 CO 0.00 -1.32 0.86 -0.06 0.00 0.00 0.00 175.76 175.24 3h3p s PHE 114 N -2.59 2.82 -0.11 0.00 0.08 -1.26 -1.82 117.98 115.10 3h3p s PHE 114 Ca 0.64 -0.75 0.14 0.00 0.12 0.00 0.00 56.93 57.08 3h3p s PHE 114 Cb -0.18 -4.18 0.01 0.00 -0.57 0.00 0.00 43.02 38.10 3h3p s PHE 114 CO 0.46 -1.50 1.38 0.00 -0.10 0.00 0.00 175.22 175.46 3h3p h ALA 115 N 9.39 0.62 -3.17 5.36 0.00 -1.73 -3.47 119.26 126.27 3h3p h ALA 115 Ca -0.28 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 53.52 3h3p h ALA 115 Cb 1.08 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 18.43 3h3p h ALA 115 CO 1.15 0.75 -0.82 -1.01 0.00 0.00 0.00 179.25 179.32 3h3p s HIS 116 N -2.92 1.76 0.10 0.00 3.76 -1.13 -4.99 115.29 111.87 3h3p s HIS 116 Ca 0.03 -0.92 0.08 0.00 -0.15 0.00 0.00 55.06 54.10 3h3p s HIS 116 Cb 0.08 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 3h3p s HIS 116 CO 0.76 -0.56 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.36 3h3p s TRP 117 N 1.57 2.63 0.95 1.40 0.52 -1.26 -1.43 118.94 123.32 3h3p s TRP 117 Ca 0.04 -0.21 -0.16 0.00 0.02 0.00 0.00 56.10 55.79 3h3p s TRP 117 Cb -0.13 -1.40 0.19 0.00 -1.15 0.00 0.00 33.47 30.98 3h3p s TRP 117 CO -0.09 0.39 1.28 0.20 0.02 0.00 0.00 176.95 178.76 3h3p s GLY 118 N -2.08 1.73 0.12 0.98 0.00 -0.76 -4.38 107.32 102.94 3h3p s GLY 118 Ca 0.19 -1.08 0.26 0.00 0.00 0.00 0.00 44.72 44.09 3h3p s GLY 118 CO 0.11 -0.36 1.67 0.61 0.00 0.00 0.00 173.10 175.14 3h3p n GLN 119 N -3.76 0.19 0.00 2.90 0.00 -1.26 -4.79 117.38 110.66 3h3p n GLN 119 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 57.00 57.26 3h3p n GLN 119 Cb 0.60 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.15 3h3p n GLN 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h3p n GLY 120 N 1.38 2.34 2.69 2.61 0.00 -1.26 -5.04 105.19 107.91 3h3p n GLY 120 Ca 0.05 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 3h3p n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3p s THR 121 N -2.40 0.33 -0.10 2.61 2.01 0.53 -4.85 115.64 113.77 3h3p s THR 121 Ca 0.00 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 3h3p s THR 121 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 3h3p s THR 121 CO 0.00 -0.26 1.52 -0.22 -0.69 0.00 0.00 174.62 174.97 3h3p s LEU 122 N 1.94 4.24 -0.21 4.42 2.96 -1.26 -0.26 118.68 130.52 3h3p s LEU 122 Ca 0.01 2.01 -0.03 0.00 -0.22 0.00 0.00 54.13 55.89 3h3p s LEU 122 Cb -0.17 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3h3p s LEU 122 CO -0.10 -0.90 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.28 3h3p s VAL 123 N 3.94 3.16 -0.19 1.68 1.01 0.39 -1.94 120.40 128.46 3h3p s VAL 123 Ca 0.67 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3h3p s VAL 123 Cb -0.29 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3h3p s VAL 123 CO 0.25 0.44 0.05 -0.89 0.00 0.00 0.00 175.10 174.95 3h3p s THR 124 N 1.42 4.61 -0.25 3.92 2.01 -0.86 -1.52 115.64 124.97 3h3p s THR 124 Ca 0.05 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 3h3p s THR 124 Cb -0.14 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.30 3h3p s THR 124 CO -0.05 0.45 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.63 3h3p s VAL 125 N 0.51 3.36 0.16 3.82 1.01 -1.26 -0.39 120.40 127.62 3h3p s VAL 125 Ca 0.02 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3h3p s VAL 125 Cb -0.13 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.64 3h3p s VAL 125 CO 0.01 0.23 0.56 -0.94 0.00 0.00 0.00 175.10 174.96 3h3p s SER 126 N 1.43 -0.44 0.00 3.32 1.04 -0.72 -4.11 113.70 114.22 3h3p s SER 126 Ca 0.03 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3h3p s SER 126 Cb -0.16 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3h3p s SER 126 CO -0.02 -0.98 0.25 -1.54 0.98 0.00 0.00 173.24 171.93