#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n ASP 5 N 0.00 0.00 0.00 0.41 -0.08 -1.26 -4.73 116.55 110.89 3dll n ASP 5 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3dll n ASP 5 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3dll n ASP 5 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3dll n LEU 6 N 0.00 0.00 -2.65 -2.67 7.94 -1.26 -5.16 117.00 113.20 3dll n LEU 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3dll n LEU 6 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 3dll n LEU 6 CO 0.00 0.00 0.57 -1.59 -1.11 0.00 0.00 177.39 175.26 3dll s LYS 7 N 0.00 0.01 0.00 1.96 0.00 -1.26 -5.00 119.74 115.45 3dll s LYS 7 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 55.97 55.96 3dll s LYS 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37.83 37.83 3dll s LYS 7 CO 0.00 -0.01 0.05 -0.35 0.00 0.00 0.00 175.35 175.04 3dll n PRO 8 N 3.19 0.10 0.00 1.78 -0.04 -1.26 -4.89 135.00 133.89 3dll n PRO 8 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3dll n PRO 8 Cb 0.66 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 3dll n PRO 8 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3dll n THR 9 N 0.44 0.00 -2.70 0.52 -2.24 -1.26 -4.94 114.28 104.09 3dll n THR 9 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 3dll n THR 9 Cb 0.03 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 3dll n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3dll s PRO 10 N 0.00 4.11 0.00 -0.78 0.04 -1.26 -4.69 135.00 132.42 3dll s PRO 10 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3dll s PRO 10 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3dll s PRO 10 CO 0.00 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.31 3dll n GLY 11 N -0.34 -0.05 0.60 0.56 0.00 -1.26 -4.81 105.19 99.90 3dll n GLY 11 Ca 0.07 -0.51 0.40 0.00 0.00 0.00 0.00 46.02 45.98 3dll n GLY 11 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3dll h SER 12 N 0.00 0.00 -1.13 1.61 0.87 -1.95 5.93 113.55 118.87 3dll h SER 12 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 3dll h SER 12 Cb 0.00 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 61.63 3dll h SER 12 CO 0.00 0.00 0.36 -2.11 -0.53 0.00 0.00 176.83 174.55 3dll n ARG 13 N -3.71 2.99 0.00 2.24 1.85 -1.26 -4.02 116.66 114.76 3dll n ARG 13 Ca 0.32 -3.64 0.00 0.00 -1.00 0.00 0.00 57.85 53.52 3dll n ARG 13 Cb 1.64 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 3dll n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3dll n LYS 14 N -0.77 0.06 -2.15 2.89 3.00 1.89 -4.58 118.16 118.49 3dll n LYS 14 Ca 0.55 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.50 3dll n LYS 14 Cb 0.67 -0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.66 3dll n LYS 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3dll s ASP 15 N 0.00 5.45 0.00 3.14 2.15 0.89 -4.77 116.67 123.54 3dll s ASP 15 Ca 0.00 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.86 3dll s ASP 15 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3dll s ASP 15 CO 0.00 -2.32 0.00 0.54 -0.17 0.00 0.00 175.17 173.22 3dll n ARG 16 N 9.13 2.98 -2.94 4.34 1.74 -1.26 -5.02 116.66 125.63 3dll n ARG 16 Ca 0.23 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.12 3dll n ARG 16 Cb 0.50 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.98 3dll n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dll s LYS 17 N 0.95 2.54 -0.00 5.56 1.02 -1.26 -4.99 119.74 123.55 3dll s LYS 17 Ca 0.00 -1.30 0.09 0.00 0.02 0.00 0.00 55.97 54.78 3dll s LYS 17 Cb 0.00 -2.66 0.26 0.00 -0.52 0.00 0.00 37.83 34.92 3dll s LYS 17 CO 0.00 -0.60 1.22 0.54 -0.92 0.00 0.00 175.35 175.58 3dll n ARG 18 N -2.11 1.69 -3.09 1.68 1.74 -1.26 -4.96 116.66 110.35 3dll n ARG 18 Ca 0.11 -1.07 -0.14 0.00 -0.77 0.00 0.00 57.85 55.98 3dll n ARG 18 Cb 0.60 -1.23 0.01 0.00 -1.02 0.00 0.00 32.46 30.82 3dll n ARG 18 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dll n VAL 19 N 0.37 -7.44 0.00 1.55 0.31 -1.26 -4.12 118.33 107.74 3dll n VAL 19 Ca 0.10 0.78 0.00 0.00 -0.01 0.00 0.00 64.34 65.21 3dll n VAL 19 Cb 0.25 -5.29 0.00 0.00 -0.91 0.00 0.00 33.84 27.89 3dll n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dll n GLY 20 N 0.25 1.96 0.60 2.92 0.00 -1.26 -4.95 105.19 104.71 3dll n GLY 20 Ca 0.01 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.43 3dll n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dll n ARG 21 N -0.04 0.01 0.00 1.61 0.63 -1.26 -4.62 116.66 112.99 3dll n ARG 21 Ca 0.00 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 3dll n ARG 21 Cb 0.00 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 30.51 3dll n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dll n GLY 22 N -1.78 3.58 3.85 5.14 0.00 -1.26 -5.02 105.19 109.70 3dll n GLY 22 Ca 0.33 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3dll n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dll s PRO 23 N -2.14 3.99 0.88 1.61 0.04 -1.26 -5.09 135.00 133.03 3dll s PRO 23 Ca 0.00 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.53 3dll s PRO 23 Cb 0.00 -2.56 0.17 0.00 0.04 0.00 0.00 34.50 32.16 3dll s PRO 23 CO 0.00 0.23 0.39 0.41 0.04 0.00 0.00 177.00 178.08 3dll n GLY 24 N -0.12 -2.06 0.00 0.56 0.00 -1.26 -5.05 105.19 97.26 3dll n GLY 24 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3dll n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 25 N -1.41 1.00 2.65 -0.02 0.00 -1.26 -5.08 105.19 101.08 3dll n GLY 25 Ca 0.06 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 3dll n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dll s THR 26 N 0.43 -0.06 -0.46 2.61 2.01 -1.26 -5.08 115.64 113.83 3dll s THR 26 Ca 0.00 0.15 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 3dll s THR 26 Cb 0.00 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.18 3dll s THR 26 CO 0.00 -0.01 1.03 -1.81 -0.69 0.00 0.00 174.62 173.14 3dll s ASP 27 N 2.14 6.58 -0.87 3.53 -0.00 -1.26 -4.93 116.67 121.86 3dll s ASP 27 Ca 0.04 0.33 -0.25 0.00 -0.00 0.00 0.00 52.55 52.66 3dll s ASP 27 Cb -0.14 -2.50 -0.06 0.00 -0.00 0.00 0.00 42.92 40.22 3dll s ASP 27 CO -0.06 -1.13 2.04 -0.54 -0.00 0.00 0.00 175.17 175.48 3dll s LYS 28 N 4.06 2.37 -0.30 8.23 -0.14 -1.26 -4.71 119.74 127.99 3dll s LYS 28 Ca 0.42 -0.09 -0.18 0.00 -1.36 0.00 0.00 55.97 54.76 3dll s LYS 28 Cb -0.09 -4.98 0.18 0.00 -1.68 0.00 0.00 37.83 31.26 3dll s LYS 28 CO 0.28 -3.57 1.23 0.99 -0.76 0.00 0.00 175.35 173.52 3dll s THR 29 N 10.99 -0.08 -0.55 2.17 2.01 -1.26 -4.93 115.64 123.99 3dll s THR 29 Ca 0.75 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.74 3dll s THR 29 Cb -0.08 -1.00 0.46 0.00 0.01 0.00 0.00 72.50 71.89 3dll s THR 29 CO 0.02 0.00 1.98 0.00 -0.69 0.00 0.00 174.62 175.93 3dll n ALA 30 N 5.34 5.89 0.00 7.40 0.00 -1.26 -5.00 120.51 132.88 3dll n ALA 30 Ca -0.09 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.36 3dll n ALA 30 Cb 0.55 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3dll n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 31 N -0.77 0.36 2.84 0.00 0.00 -1.26 -4.70 105.19 101.67 3dll n GLY 31 Ca 0.56 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 3dll n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dll n ARG 32 N 0.00 2.19 0.00 1.61 0.00 -1.26 -4.54 116.66 114.66 3dll n ARG 32 Ca 0.00 -4.53 0.00 0.00 -0.00 0.00 0.00 57.85 53.32 3dll n ARG 32 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 32.46 30.15 3dll n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3dll n GLY 33 N 1.76 0.00 3.04 5.14 0.00 -1.26 -5.15 105.19 108.72 3dll n GLY 33 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 3dll n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dll s HIS 34 N 0.00 1.89 -0.37 1.61 2.46 -1.26 -4.83 115.29 114.79 3dll s HIS 34 Ca 0.00 -0.89 0.03 0.00 0.47 0.00 0.00 55.06 54.67 3dll s HIS 34 Cb 0.00 -1.38 0.16 0.00 -0.13 0.00 0.00 32.58 31.22 3dll s HIS 34 CO 0.00 -0.47 0.39 0.15 -2.47 0.00 0.00 174.74 172.33 3dll s LYS 35 N 1.05 0.64 0.00 2.88 1.02 -1.26 -4.94 119.74 119.13 3dll s LYS 35 Ca -0.06 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.14 3dll s LYS 35 Cb -0.15 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 3dll s LYS 35 CO -0.02 -1.19 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 3dll n GLY 36 N 4.30 0.00 4.46 -3.33 0.00 -1.26 -4.72 105.19 104.63 3dll n GLY 36 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3dll n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dll n GLN 37 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.28 117.38 119.47 3dll n GLN 37 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3dll n GLN 37 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3dll n GLN 37 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3dll n LYS 38 N 0.00 0.00 0.00 -1.09 4.81 -1.26 -5.13 118.16 115.49 3dll n LYS 38 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3dll n LYS 38 Cb 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 34.84 3dll n LYS 38 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3dll n SER 39 N -2.23 0.00 0.00 3.14 2.88 -1.26 -5.10 113.62 111.05 3dll n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3dll n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3dll n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3dll n ARG 40 N 0.00 0.00 -1.03 -1.46 5.12 -1.26 -4.97 116.66 113.06 3dll n ARG 40 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 3dll n ARG 40 Cb 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3dll n ARG 40 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3dll n SER 41 N -0.53 -3.17 -3.21 0.55 2.88 -1.26 -5.03 113.62 103.85 3dll n SER 41 Ca 0.00 0.03 -0.01 0.00 -1.33 0.00 0.00 58.87 57.56 3dll n SER 41 Cb 0.00 -0.76 -0.03 0.00 -0.75 0.00 0.00 64.21 62.67 3dll n SER 41 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3dll s GLY 42 N -2.75 -0.91 0.00 0.46 0.00 -1.26 -5.16 107.32 97.70 3dll s GLY 42 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3dll s GLY 42 CO 0.00 3.30 0.00 0.00 0.00 0.00 0.00 173.10 176.40 3dll n ALA 43 N 5.40 0.00 -1.30 3.20 0.00 -1.26 -4.80 120.51 121.75 3dll n ALA 43 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3dll n ALA 43 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 3dll n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 44 N 0.00 -2.54 0.00 0.00 0.00 -1.26 -4.74 105.19 96.65 3dll n GLY 44 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3dll n GLY 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dll n LYS 45 N 0.76 0.00 -3.11 1.61 0.00 -1.26 -5.09 118.16 111.07 3dll n LYS 45 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.43 3dll n LYS 45 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.51 3dll n LYS 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3dll s GLY 46 N 0.00 -1.20 0.00 3.14 0.00 -1.26 -5.02 107.32 102.98 3dll s GLY 46 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.00 3dll s GLY 46 CO 0.00 3.90 0.00 0.00 0.00 0.00 0.00 173.10 177.00 3dll n ALA 47 N 4.94 0.05 0.00 3.20 0.00 -1.26 -4.87 120.51 122.57 3dll n ALA 47 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dll n ALA 47 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3dll n ALA 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dll n PHE 48 N 0.00 0.00 -4.76 0.00 3.01 -1.26 -4.84 117.46 109.61 3dll n PHE 48 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 3dll n PHE 48 Cb 0.03 -0.27 -0.00 0.00 -0.01 0.00 0.00 39.48 39.24 3dll n PHE 48 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3dll n PHE 49 N -1.24 -1.97 -0.08 1.38 0.99 -1.26 -4.90 117.46 110.37 3dll n PHE 49 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 3dll n PHE 49 Cb 0.05 0.13 0.00 0.00 -1.00 0.00 0.00 39.48 38.66 3dll n PHE 49 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3dll n GLU 50 N -1.90 2.52 -3.40 -1.08 1.02 -1.26 -5.09 120.64 111.44 3dll n GLU 50 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3dll n GLU 50 Cb 0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 3dll n GLU 50 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dll s GLY 51 N 0.00 2.06 -0.30 0.62 0.00 -1.26 -5.14 107.32 103.29 3dll s GLY 51 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 44.72 42.84 3dll s GLY 51 CO 0.00 -1.70 0.96 -0.32 0.00 0.00 0.00 173.10 172.04 3dll s GLY 52 N -4.32 -0.55 0.42 0.20 0.00 -1.26 -5.03 107.32 96.77 3dll s GLY 52 Ca 0.50 2.48 -0.25 0.00 0.00 0.00 0.00 44.72 47.45 3dll s GLY 52 CO 0.30 3.77 1.26 -0.96 0.00 0.00 0.00 173.10 177.47 3dll n ARG 53 N 5.43 1.89 0.00 2.90 -4.01 -1.26 0.73 116.66 122.33 3dll n ARG 53 Ca -0.04 0.67 0.00 0.00 -1.04 0.00 0.00 57.85 57.44 3dll n ARG 53 Cb 0.54 -2.37 0.00 0.00 -3.04 0.00 0.00 32.46 27.59 3dll n ARG 53 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3dll n SER 54 N 0.20 0.00 -3.32 2.89 2.88 -1.26 -4.75 113.62 110.26 3dll n SER 54 Ca 0.07 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.26 3dll n SER 54 Cb 0.40 -0.16 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 3dll n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3dll n ARG 55 N -1.05 3.11 0.00 -1.46 1.74 0.22 -4.58 116.66 114.64 3dll n ARG 55 Ca 0.00 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 3dll n ARG 55 Cb 0.00 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.70 3dll n ARG 55 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3dll n LEU 56 N 4.08 0.00 -0.25 0.55 -0.00 -1.26 -4.65 117.00 115.47 3dll n LEU 56 Ca 0.66 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.72 3dll n LEU 56 Cb 0.22 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.82 3dll n LEU 56 CO 0.82 0.00 0.99 0.40 -0.00 0.00 0.00 177.39 179.60 3dll h ILE 57 N 0.00 0.61 -2.69 1.96 5.03 -1.81 -3.35 117.51 117.26 3dll h ILE 57 Ca 0.00 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 3dll h ILE 57 Cb 0.00 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 33.99 3dll h ILE 57 CO 0.00 0.07 0.00 0.00 -0.68 0.00 0.00 178.15 177.54 3dll n ALA 58 N -2.55 0.00 -0.83 1.87 0.00 -1.26 -4.04 120.51 113.70 3dll n ALA 58 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3dll n ALA 58 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3dll n ALA 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dll n ARG 59 N -0.76 -1.11 -3.86 0.00 3.00 -1.26 -4.77 116.66 107.90 3dll n ARG 59 Ca 0.00 0.28 -0.26 0.00 -0.01 0.00 0.00 57.85 57.85 3dll n ARG 59 Cb 0.00 -4.61 -0.17 0.00 0.00 0.00 0.00 32.46 27.68 3dll n ARG 59 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3dll s LEU 60 N 0.00 1.18 0.98 0.55 2.96 -1.26 -5.05 118.68 118.04 3dll s LEU 60 Ca 0.00 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 3dll s LEU 60 Cb 0.00 -0.75 0.06 0.00 0.50 0.00 0.00 46.19 45.99 3dll s LEU 60 CO 0.00 -0.17 0.37 -0.81 -1.32 0.00 0.00 176.35 174.42 3dll n PRO 61 N 4.98 -0.57 0.00 0.98 -0.04 -1.26 -5.05 135.00 134.04 3dll n PRO 61 Ca -0.11 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 3dll n PRO 61 Cb 0.49 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3dll n PRO 61 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3dll n LYS 62 N -1.90 0.00 0.00 0.54 4.81 -1.26 -5.02 118.16 115.33 3dll n LYS 62 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3dll n LYS 62 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 3dll n LYS 62 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3dll n ARG 63 N -0.43 4.39 0.00 1.64 0.63 -1.26 -5.11 116.66 116.52 3dll n ARG 63 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3dll n ARG 63 Cb 0.00 -0.62 0.00 0.00 0.45 0.00 0.00 32.46 32.29 3dll n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3dll n GLY 64 N 0.61 2.48 0.00 5.14 0.00 -1.26 -4.71 105.19 107.45 3dll n GLY 64 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3dll n GLY 64 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dll n PHE 65 N 13.98 0.00 -0.72 1.61 7.35 -1.26 -5.14 117.46 133.27 3dll n PHE 65 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 3dll n PHE 65 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 3dll n PHE 65 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3dll n ASN 66 N 0.00 -0.93 0.12 -2.13 2.85 -1.26 -4.92 115.26 108.99 3dll n ASN 66 Ca 0.00 0.54 0.00 0.00 -0.11 0.00 0.00 54.58 55.01 3dll n ASN 66 Cb 0.00 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 40.53 3dll n ASN 66 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3dll n ASN 67 N 1.11 0.06 0.00 1.20 2.85 -1.26 -5.08 115.26 114.14 3dll n ASN 67 Ca 0.08 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 3dll n ASN 67 Cb 0.16 0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.44 3dll n ASN 67 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3dll n VAL 68 N -3.45 0.00 -2.30 3.44 0.31 -1.26 -5.01 118.33 110.06 3dll n VAL 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3dll n VAL 68 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3dll n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dll n GLY 69 N 0.00 2.52 3.68 2.92 0.00 -1.26 -4.69 105.19 108.36 3dll n GLY 69 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3dll n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dll s THR 70 N 0.00 3.81 -0.26 2.61 2.01 -1.26 -5.12 115.64 117.44 3dll s THR 70 Ca 0.00 -1.42 -0.03 0.00 0.31 0.00 0.00 61.69 60.55 3dll s THR 70 Cb 0.00 -2.93 0.09 0.00 0.01 0.00 0.00 72.50 69.67 3dll s THR 70 CO 0.00 -0.13 0.09 -0.89 -0.69 0.00 0.00 174.62 173.00 3dll s THR 71 N -1.78 0.34 0.47 -0.82 2.01 -1.26 -5.15 115.64 109.45 3dll s THR 71 Ca 0.28 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 3dll s THR 71 Cb -0.09 -1.14 -0.09 0.00 0.01 0.00 0.00 72.50 71.19 3dll s THR 71 CO 0.19 -0.53 1.03 -0.31 -0.69 0.00 0.00 174.62 174.31 3dll s TYR 72 N 1.91 3.07 -0.67 4.92 1.51 -1.26 -4.33 117.35 122.50 3dll s TYR 72 Ca 0.06 1.59 -0.25 0.00 -1.01 0.00 0.00 57.07 57.46 3dll s TYR 72 Cb -0.17 -3.05 0.05 0.00 -0.11 0.00 0.00 41.96 38.68 3dll s TYR 72 CO -0.23 -0.71 1.09 -1.21 -1.11 0.00 0.00 175.55 173.38 3dll s GLU 73 N -3.11 3.19 -0.53 -0.62 8.01 -1.25 -4.68 118.70 119.70 3dll s GLU 73 Ca 0.65 -0.49 -0.27 0.00 0.01 0.00 0.00 54.97 54.87 3dll s GLU 73 Cb -0.16 -4.18 0.03 0.00 -4.31 0.00 0.00 34.13 25.51 3dll s GLU 73 CO 0.20 -1.90 1.09 0.08 0.01 0.00 0.00 175.26 174.75 3dll s VAL 74 N 4.72 4.20 -0.31 2.63 1.01 -1.24 -1.78 120.40 129.64 3dll s VAL 74 Ca 0.29 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 3dll s VAL 74 Cb -0.13 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 3dll s VAL 74 CO 0.14 -1.13 0.18 -0.69 0.00 0.00 0.00 175.10 173.60 3dll s VAL 75 N 4.46 4.90 0.78 2.92 1.01 -1.19 -5.00 120.40 128.28 3dll s VAL 75 Ca 0.41 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 3dll s VAL 75 Cb -0.09 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3dll s VAL 75 CO 0.26 0.10 0.75 1.17 0.00 0.00 0.00 175.10 177.38 3dll n LYS 76 N 5.03 0.22 0.13 2.72 4.81 -1.26 -3.86 118.16 125.94 3dll n LYS 76 Ca -0.14 0.13 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 3dll n LYS 76 Cb 0.50 -2.06 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 3dll n LYS 76 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3dll h LEU 77 N -0.67 -0.31 -1.37 3.14 5.85 -1.81 -3.21 115.31 116.94 3dll h LEU 77 Ca -0.46 0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.50 3dll h LEU 77 Cb 1.32 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3dll h LEU 77 CO 0.43 -0.06 0.94 0.77 -0.34 0.00 0.00 178.44 180.18 3dll h SER 78 N -0.68 0.00 0.00 1.25 4.64 -1.84 -1.72 113.55 115.21 3dll h SER 78 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dll h SER 78 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3dll h SER 78 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3dll n GLN 79 N -3.38 0.00 -0.06 4.77 1.13 -1.21 -3.34 117.38 115.29 3dll n GLN 79 Ca 0.17 0.24 -0.10 0.00 -1.94 0.00 0.00 57.00 55.37 3dll n GLN 79 Cb 1.20 -1.09 -0.07 0.00 0.11 0.00 0.00 30.24 30.39 3dll n GLN 79 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3dll h LEU 80 N 0.00 -1.31 0.00 1.08 3.38 -1.45 -3.03 115.31 113.98 3dll h LEU 80 Ca 0.00 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3dll h LEU 80 Cb 0.00 0.53 0.03 0.00 0.09 0.00 0.00 40.66 41.30 3dll h LEU 80 CO 0.00 -0.31 -0.02 0.00 0.09 0.00 0.00 178.44 178.20 3dll n GLN 81 N -4.63 -2.27 0.00 1.13 6.02 -0.91 -1.86 117.38 114.87 3dll n GLN 81 Ca -0.03 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 3dll n GLN 81 Cb 0.26 -0.23 0.00 0.00 1.02 0.00 0.00 30.24 31.29 3dll n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3dll n ASP 82 N -3.34 0.00 0.00 1.08 4.64 -1.23 -3.49 116.55 114.21 3dll n ASP 82 Ca 0.02 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.43 3dll n ASP 82 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.15 3dll n ASP 82 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3dll n LEU 83 N 0.00 0.73 0.00 -2.67 4.77 -1.25 -4.73 117.00 113.85 3dll n LEU 83 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3dll n LEU 83 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dll n LEU 83 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.27 3dll n GLU 84 N -0.14 0.00 -2.90 3.23 0.00 -0.78 -4.68 120.64 115.38 3dll n GLU 84 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.72 3dll n GLU 84 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 3dll n GLU 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3dll s ASP 85 N 0.00 7.00 -0.72 4.31 1.01 -1.26 -4.53 116.67 122.47 3dll s ASP 85 Ca 0.00 -2.83 -0.12 0.00 0.71 0.00 0.00 52.55 50.31 3dll s ASP 85 Cb 0.00 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.52 3dll s ASP 85 CO 0.00 -0.83 0.46 0.41 0.21 0.00 0.00 175.17 175.42 3dll n THR 86 N 4.92 -2.09 1.68 -1.27 -1.04 -1.26 -4.78 114.28 110.44 3dll n THR 86 Ca 0.37 -0.20 0.03 0.00 -2.04 0.00 0.00 64.05 62.20 3dll n THR 86 Cb 0.44 -1.82 0.15 0.00 -1.82 0.00 0.00 70.33 67.28 3dll n THR 86 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3dll n THR 87 N -2.93 0.00 -1.77 12.58 -2.24 -1.26 -4.85 114.28 113.81 3dll n THR 87 Ca -0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3dll n THR 87 Cb 0.45 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3dll n THR 87 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dll n PHE 88 N -0.60 -0.93 0.05 4.78 0.99 -1.26 -4.69 117.46 115.80 3dll n PHE 88 Ca 0.04 0.44 -0.11 0.00 -0.00 0.00 0.00 57.45 57.82 3dll n PHE 88 Cb 0.02 -2.06 -0.04 0.00 -1.00 0.00 0.00 39.48 36.39 3dll n PHE 88 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3dll h ASP 89 N 0.74 -0.82 0.00 4.37 5.19 -1.85 -3.30 116.42 120.75 3dll h ASP 89 Ca -0.03 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3dll h ASP 89 Cb 0.06 0.34 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3dll h ASP 89 CO 0.02 -0.34 0.00 0.54 -3.12 0.00 0.00 179.24 176.34 3dll n ARG 90 N -5.39 0.00 -1.78 3.56 1.74 -1.26 -4.17 116.66 109.37 3dll n ARG 90 Ca -0.04 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.07 3dll n ARG 90 Cb 0.30 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.76 3dll n ARG 90 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3dll n ASP 91 N -1.21 1.07 0.12 0.55 5.75 -1.26 -3.77 116.55 117.79 3dll n ASP 91 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3dll n ASP 91 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 3dll n ASP 91 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3dll n THR 92 N 0.25 0.00 0.34 2.12 -1.04 -1.26 -4.95 114.28 109.74 3dll n THR 92 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3dll n THR 92 Cb 1.07 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 3dll n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dll n LEU 93 N -3.01 0.94 -0.04 -4.42 4.77 -1.24 -0.62 117.00 113.38 3dll n LEU 93 Ca 0.00 -0.47 -0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3dll n LEU 93 Cb 0.00 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 3dll n LEU 93 CO 0.00 0.16 -0.79 -1.84 -1.33 0.00 0.00 177.39 173.59 3dll n GLU 94 N 0.78 1.31 0.00 3.23 0.00 -1.26 -3.49 120.64 121.21 3dll n GLU 94 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.10 3dll n GLU 94 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 30.29 3dll n GLU 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dll n ALA 95 N -2.23 1.89 0.00 -1.84 0.00 0.21 -0.20 120.51 118.33 3dll n ALA 95 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3dll n ALA 95 Cb 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3dll n ALA 95 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dll n TYR 96 N -0.12 0.00 0.00 0.00 4.02 -1.26 -4.97 117.16 114.83 3dll n TYR 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3dll n TYR 96 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3dll n TYR 96 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3dll n ARG 97 N -0.26 0.00 0.00 -0.72 1.74 0.72 -5.04 116.66 113.10 3dll n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dll n ARG 97 Cb 0.00 -0.37 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 3dll n ARG 97 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3dll n LEU 98 N 0.00 0.00 0.00 0.55 7.94 -1.13 -5.03 117.00 119.32 3dll n LEU 98 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3dll n LEU 98 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3dll n LEU 98 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.39 177.61 3dll n VAL 99 N 0.00 0.00 0.00 1.96 0.24 -1.26 -5.10 118.33 114.16 3dll n VAL 99 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dll n VAL 99 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3dll n VAL 99 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3dll n ARG 100 N 0.00 0.00 -0.01 7.34 1.85 -1.26 -4.80 116.66 119.78 3dll n ARG 100 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 3dll n ARG 100 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 3dll n ARG 100 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3dll n ARG 101 N 0.00 0.03 -1.03 2.89 5.12 -1.26 -5.13 116.66 117.28 3dll n ARG 101 Ca 0.00 0.01 0.14 0.00 -1.93 0.00 0.00 57.85 56.07 3dll n ARG 101 Cb 0.00 -0.82 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 3dll n ARG 101 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3dll n LYS 102 N -2.77 -2.07 -0.19 5.56 5.02 -1.26 -4.57 118.16 117.88 3dll n LYS 102 Ca -0.03 1.36 0.00 0.00 -2.02 0.00 0.00 58.31 57.62 3dll n LYS 102 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 3dll n LYS 102 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3dll n ASN 103 N -4.33 -0.86 -3.64 4.39 0.23 -1.26 -4.77 115.26 105.03 3dll n ASN 103 Ca 0.01 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 3dll n ASN 103 Cb 0.47 -0.97 -0.04 0.00 -2.08 0.00 0.00 39.78 37.15 3dll n ASN 103 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3dll s ARG 104 N -0.38 1.08 0.00 -3.83 0.52 -1.26 -5.08 118.95 110.00 3dll s ARG 104 Ca 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3dll s ARG 104 Cb 0.00 0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.94 3dll s ARG 104 CO 0.00 -0.43 0.00 -0.35 0.02 0.00 0.00 175.30 174.54 3dll n PRO 105 N -0.23 2.51 -0.67 3.54 -0.04 -1.26 -4.82 135.00 134.03 3dll n PRO 105 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 3dll n PRO 105 Cb 0.64 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.08 3dll n PRO 105 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dll n VAL 106 N -0.05 0.00 -0.13 0.52 0.31 -1.26 -3.75 118.33 113.97 3dll n VAL 106 Ca 0.00 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 3dll n VAL 106 Cb 0.00 0.24 -0.01 0.00 -0.91 0.00 0.00 33.84 33.16 3dll n VAL 106 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3dll n LYS 107 N 0.03 0.00 -3.62 5.55 4.81 -0.73 -4.20 118.16 120.00 3dll n LYS 107 Ca -0.06 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.98 3dll n LYS 107 Cb 0.61 -0.12 -0.10 0.00 0.02 0.00 0.00 35.03 35.43 3dll n LYS 107 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3dll s LEU 108 N 0.07 5.08 0.38 3.14 2.96 0.41 -3.15 118.68 127.57 3dll s LEU 108 Ca 0.08 -1.47 0.07 0.00 -0.22 0.00 0.00 54.13 52.59 3dll s LEU 108 Cb -0.11 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 3dll s LEU 108 CO 0.05 -0.52 0.51 -0.76 -1.32 0.00 0.00 176.35 174.31 3dll s LEU 109 N 1.42 3.79 -0.50 -0.68 1.43 -1.25 -1.33 118.68 121.56 3dll s LEU 109 Ca 0.03 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 3dll s LEU 109 Cb -0.23 -2.67 0.09 0.00 0.03 0.00 0.00 46.19 43.42 3dll s LEU 109 CO 0.02 -0.59 0.47 0.00 0.23 0.00 0.00 176.35 176.48 3dll s ALA 110 N -2.27 3.56 0.05 4.21 0.00 -1.26 -3.71 121.76 122.35 3dll s ALA 110 Ca 0.50 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3dll s ALA 110 Cb -0.09 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3dll s ALA 110 CO 0.32 -1.89 0.00 0.43 0.00 0.00 0.00 175.76 174.62 3dll n SER 111 N 5.38 0.57 -4.80 0.00 7.64 -1.26 -4.88 113.62 116.26 3dll n SER 111 Ca -0.12 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.47 3dll n SER 111 Cb 0.43 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 3dll n SER 111 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3dll s GLY 112 N -3.54 2.67 -0.30 0.23 0.00 -1.26 -4.75 107.32 100.38 3dll s GLY 112 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 3dll s GLY 112 CO 0.00 0.69 0.15 -0.54 0.00 0.00 0.00 173.10 173.39 3dll s GLU 113 N -2.06 0.23 0.00 2.90 2.02 -1.26 -3.10 118.70 117.44 3dll s GLU 113 Ca 0.46 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3dll s GLU 113 Cb -0.17 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 32.91 3dll s GLU 113 CO 0.22 -1.04 0.00 1.51 0.02 0.00 0.00 175.26 175.97 3dll n ILE 114 N 5.14 0.00 -1.03 -1.63 0.00 -1.26 -5.09 119.36 115.48 3dll n ILE 114 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.71 3dll n ILE 114 Cb 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 39.64 39.32 3dll n ILE 114 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3dll n SER 115 N -2.26 -3.82 0.00 9.51 2.88 -1.26 -5.04 113.62 113.64 3dll n SER 115 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 3dll n SER 115 Cb 0.50 -2.05 0.00 0.00 -0.75 0.00 0.00 64.21 61.91 3dll n SER 115 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3dll n ARG 116 N 0.48 0.00 -3.65 -1.46 1.85 -1.26 -4.99 116.66 107.63 3dll n ARG 116 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 3dll n ARG 116 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3dll n ARG 116 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dll s ALA 117 N -1.66 0.79 -0.02 2.89 0.00 -1.26 -4.64 121.76 117.84 3dll s ALA 117 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3dll s ALA 117 Cb 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.91 3dll s ALA 117 CO 0.00 -1.34 0.25 0.14 0.00 0.00 0.00 175.76 174.81 3dll s VAL 118 N 1.98 0.06 -0.39 0.00 -7.23 -1.24 -4.92 120.40 108.65 3dll s VAL 118 Ca 0.03 -0.46 -0.06 0.00 -1.81 0.00 0.00 61.98 59.68 3dll s VAL 118 Cb -0.16 -0.52 0.08 0.00 0.56 0.00 0.00 36.38 36.34 3dll s VAL 118 CO -0.17 -0.25 0.19 -0.89 -0.31 0.00 0.00 175.10 173.66 3dll s THR 119 N -1.09 3.72 0.17 5.32 2.01 -1.26 -4.29 115.64 120.22 3dll s THR 119 Ca -0.12 -1.55 -0.08 0.00 0.31 0.00 0.00 61.69 60.25 3dll s THR 119 Cb -0.05 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 3dll s THR 119 CO 0.03 -0.46 0.47 -0.69 -0.69 0.00 0.00 174.62 173.28 3dll s VAL 120 N 1.32 5.03 -0.65 3.82 1.01 -1.26 -4.48 120.40 125.18 3dll s VAL 120 Ca 0.03 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3dll s VAL 120 Cb -0.22 -3.63 0.30 0.00 0.00 0.00 0.00 36.38 32.83 3dll s VAL 120 CO -0.00 0.04 0.93 1.41 0.00 0.00 0.00 175.10 177.48 3dll n HIS 121 N 0.15 3.76 -2.36 5.22 8.25 -1.25 0.17 115.22 129.15 3dll n HIS 121 Ca -0.02 -3.93 -0.33 0.00 -0.26 0.00 0.00 57.72 53.18 3dll n HIS 121 Cb 0.52 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 31.02 3dll n HIS 121 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3dll s VAL 122 N -3.57 4.16 0.00 1.59 -7.23 -1.24 -4.64 120.40 109.47 3dll s VAL 122 Ca 0.44 1.12 0.00 0.00 -1.81 0.00 0.00 61.98 61.73 3dll s VAL 122 Cb 0.21 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.60 3dll s VAL 122 CO -0.07 -0.51 1.06 -0.67 -0.31 0.00 0.00 175.10 174.60 3dll n ASP 123 N -1.50 3.10 0.00 4.85 2.03 -1.26 -4.48 116.55 119.29 3dll n ASP 123 Ca 0.08 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.45 3dll n ASP 123 Cb 0.53 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 3dll n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dll n ALA 124 N 0.66 0.00 -3.20 -1.67 0.00 -1.26 -4.37 120.51 110.66 3dll n ALA 124 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3dll n ALA 124 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 3dll n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll s ALA 125 N -2.26 -0.14 0.12 0.00 0.00 -1.26 -0.44 121.76 117.77 3dll s ALA 125 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 3dll s ALA 125 Cb 0.00 1.05 -0.06 0.00 0.00 0.00 0.00 23.12 24.10 3dll s ALA 125 CO 0.00 -0.86 0.46 -1.54 0.00 0.00 0.00 175.76 173.82 3dll s SER 126 N -3.06 6.69 0.12 0.00 1.04 -0.44 -4.77 113.70 113.28 3dll s SER 126 Ca 0.23 0.89 -0.26 0.00 0.48 0.00 0.00 55.95 57.29 3dll s SER 126 Cb -0.01 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.83 3dll s SER 126 CO 0.11 0.12 1.64 0.00 0.98 0.00 0.00 173.24 176.09 3dll h ALA 127 N 3.52 -0.38 -0.66 5.32 0.00 -1.97 1.36 119.26 126.46 3dll h ALA 127 Ca -0.49 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.60 3dll h ALA 127 Cb 1.19 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3dll h ALA 127 CO 0.67 -0.77 0.70 0.00 0.00 0.00 0.00 179.25 179.84 3dll h ALA 128 N 0.38 2.45 0.00 0.00 0.00 -1.94 1.31 119.26 121.45 3dll h ALA 128 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dll h ALA 128 Cb 0.49 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dll h ALA 128 CO -0.21 -1.04 -0.56 0.00 0.00 0.00 0.00 179.25 177.44 3dll n ALA 129 N -2.36 0.50 -0.26 0.00 0.00 -0.32 -4.21 120.51 113.85 3dll n ALA 129 Ca 0.14 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.17 3dll n ALA 129 Cb 0.93 0.02 0.16 0.00 0.00 0.00 0.00 19.45 20.56 3dll n ALA 129 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3dll n ILE 130 N -4.33 -0.31 -1.35 0.00 3.06 0.45 -1.47 119.36 115.40 3dll n ILE 130 Ca -0.08 1.67 -0.42 0.00 -2.50 0.00 0.00 62.75 61.42 3dll n ILE 130 Cb 0.29 -2.37 -0.03 0.00 0.54 0.00 0.00 39.64 38.07 3dll n ILE 130 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3dll n LYS 131 N -5.12 2.06 0.00 9.51 5.02 0.44 -2.05 118.16 128.02 3dll n LYS 131 Ca 0.15 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 3dll n LYS 131 Cb 0.47 -3.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.45 3dll n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dll n ALA 132 N 6.79 0.00 -1.00 7.82 0.00 -0.55 -4.88 120.51 128.70 3dll n ALA 132 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3dll n ALA 132 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3dll n ALA 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dll n VAL 133 N -1.17 0.00 -0.25 0.00 0.31 -0.87 -2.60 118.33 113.75 3dll n VAL 133 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 3dll n VAL 133 Cb 0.00 -1.81 0.13 0.00 -0.91 0.00 0.00 33.84 31.25 3dll n VAL 133 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3dll h GLU 134 N 0.00 0.67 -2.33 5.55 5.08 -1.69 0.63 114.58 122.49 3dll h GLU 134 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3dll h GLU 134 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3dll h GLU 134 CO 0.00 0.45 0.12 0.00 -1.00 0.00 0.00 179.01 178.57 3dll n ALA 135 N -2.38 2.30 0.00 3.43 0.00 -1.24 0.17 120.51 122.79 3dll n ALA 135 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3dll n ALA 135 Cb 0.23 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3dll n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 136 N 2.32 0.00 0.00 0.00 0.00 -0.68 -4.27 120.51 117.87 3dll n ALA 136 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3dll n ALA 136 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3dll n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 137 N 0.00 1.54 0.00 0.00 0.00 0.44 -4.57 105.19 102.60 3dll n GLY 137 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3dll n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 138 N 2.37 0.93 2.76 -0.02 0.00 -1.22 -3.48 105.19 106.53 3dll n GLY 138 Ca 0.00 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.15 3dll n GLY 138 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dll s ARG 139 N -2.00 0.25 -0.16 1.61 3.52 -1.26 -4.27 118.95 116.64 3dll s ARG 139 Ca 0.00 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 3dll s ARG 139 Cb 0.00 0.01 -0.07 0.00 -1.56 0.00 0.00 34.95 33.33 3dll s ARG 139 CO 0.00 -0.33 2.14 0.28 -0.81 0.00 0.00 175.30 176.57 3dll n VAL 140 N 3.35 0.45 -1.95 7.11 0.31 -1.24 -4.18 118.33 122.18 3dll n VAL 140 Ca 0.08 -0.34 -0.36 0.00 -0.01 0.00 0.00 64.34 63.71 3dll n VAL 140 Cb 0.63 -2.38 0.04 0.00 -0.91 0.00 0.00 33.84 31.23 3dll n VAL 140 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dll s VAL 141 N 6.98 2.49 -0.20 2.52 1.01 0.45 -4.91 120.40 128.75 3dll s VAL 141 Ca 0.98 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 63.06 3dll s VAL 141 Cb -0.43 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 32.88 3dll s VAL 141 CO 0.39 -0.07 0.58 -0.76 0.00 0.00 0.00 175.10 175.25 3dll s LEU 142 N -4.14 -0.23 0.99 3.92 1.43 -1.26 -3.74 118.68 115.66 3dll s LEU 142 Ca 0.79 1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 3dll s LEU 142 Cb -0.32 2.03 0.02 0.00 0.03 0.00 0.00 46.19 47.95 3dll s LEU 142 CO 0.34 -0.25 0.09 -2.65 0.23 0.00 0.00 176.35 174.12 3dll n PRO 143 N 2.54 -0.52 0.00 1.29 -0.02 -1.26 -5.12 135.00 131.91 3dll n PRO 143 Ca -0.14 -0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.29 3dll n PRO 143 Cb 0.56 -1.68 0.06 0.00 -0.02 0.00 0.00 33.50 32.42 3dll n PRO 143 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87