#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s n VAL 2 N 0.00 1.39 1.51 -1.45 0.24 -1.26 -4.11 118.33 114.66 3g4s n VAL 2 Ca 0.00 -0.81 0.15 0.00 -2.04 0.00 0.00 64.34 61.64 3g4s n VAL 2 Cb 0.00 -0.67 0.68 0.00 -1.47 0.00 0.00 33.84 32.38 3g4s n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g4s n TYR 3 N -2.85 0.00 -3.40 6.34 0.18 -1.26 -4.78 117.16 111.39 3g4s n TYR 3 Ca -0.24 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.16 3g4s n TYR 3 Cb 1.07 -0.15 -0.08 0.00 -0.38 0.00 0.00 39.34 39.80 3g4s n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3g4s s VAL 4 N -2.37 5.20 -0.32 -3.48 1.01 -1.26 -4.85 120.40 114.34 3g4s s VAL 4 Ca 0.33 0.66 0.09 0.00 0.00 0.00 0.00 61.98 63.06 3g4s s VAL 4 Cb 0.20 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 3g4s s VAL 4 CO 0.44 0.25 0.33 0.47 0.00 0.00 0.00 175.10 176.59 3g4s n ASP 5 N 4.55 1.02 -3.77 3.32 8.00 -1.26 -4.99 116.55 123.43 3g4s n ASP 5 Ca -0.09 -0.54 -0.13 0.00 0.71 0.00 0.00 54.79 54.75 3g4s n ASP 5 Cb 0.51 1.10 -0.10 0.00 -0.02 0.00 0.00 41.12 42.61 3g4s n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3g4s s PHE 6 N -2.03 -0.28 -0.19 1.24 -0.12 -1.26 -5.14 117.98 110.21 3g4s s PHE 6 Ca 0.02 0.63 -0.18 0.00 -0.05 0.00 0.00 56.93 57.34 3g4s s PHE 6 Cb 0.06 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 3g4s s PHE 6 CO 0.37 -0.24 0.51 0.34 -0.05 0.00 0.00 175.22 176.15 3g4s s ASP 7 N -0.36 6.57 -0.26 1.98 2.15 -1.26 -4.98 116.67 120.51 3g4s s ASP 7 Ca -0.05 0.69 -0.18 0.00 0.43 0.00 0.00 52.55 53.44 3g4s s ASP 7 Cb -0.03 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 3g4s s ASP 7 CO 0.02 -0.15 0.53 -0.69 -0.17 0.00 0.00 175.17 174.70 3g4s s VAL 8 N 1.50 5.06 0.68 1.11 1.01 -1.26 -5.06 120.40 123.43 3g4s s VAL 8 Ca 0.24 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 3g4s s VAL 8 Cb -0.15 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3g4s s VAL 8 CO 0.10 0.06 1.20 -2.65 0.00 0.00 0.00 175.10 173.81 3g4s n PRO 9 N 5.57 0.86 -0.03 2.72 -0.02 -1.26 -4.80 135.00 138.04 3g4s n PRO 9 Ca -0.04 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3g4s n PRO 9 Cb 0.50 -2.44 0.40 0.00 -0.02 0.00 0.00 33.50 31.94 3g4s n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4s h ALA 10 N 0.18 1.68 -0.41 3.55 0.00 -1.97 0.93 119.26 123.21 3g4s h ALA 10 Ca -0.49 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3g4s h ALA 10 Cb 1.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3g4s h ALA 10 CO 0.51 0.29 -0.12 -0.44 0.00 0.00 0.00 179.25 179.49 3g4s h ASP 11 N 0.61 0.73 0.81 0.00 3.32 -2.00 -0.93 116.42 118.96 3g4s h ASP 11 Ca 0.17 -0.22 -0.24 0.00 0.02 0.00 0.00 57.03 56.76 3g4s h ASP 11 Cb -0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3g4s h ASP 11 CO -0.04 0.87 -1.18 0.25 -1.72 0.00 0.00 179.24 177.42 3g4s h LEU 12 N 0.67 0.14 -0.68 1.55 6.46 -1.71 -3.12 115.31 118.62 3g4s h LEU 12 Ca 0.11 -0.16 -0.14 0.00 -0.12 0.00 0.00 57.88 57.57 3g4s h LEU 12 Cb 0.59 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 3g4s h LEU 12 CO 0.04 1.13 -0.60 -0.08 -0.62 0.00 0.00 178.44 178.30 3g4s h GLU 13 N 0.02 0.19 -0.29 1.25 4.81 -0.61 -0.87 114.58 119.08 3g4s h GLU 13 Ca -0.09 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 3g4s h GLU 13 Cb 1.87 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 3g4s h GLU 13 CO 0.15 0.74 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.62 3g4s h ASP 14 N 0.14 0.60 0.36 1.04 3.32 -1.24 -1.73 116.42 118.92 3g4s h ASP 14 Ca -0.01 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 3g4s h ASP 14 Cb 1.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3g4s h ASP 14 CO 0.09 0.85 -0.17 0.44 -1.72 0.00 0.00 179.24 178.73 3g4s h ASP 15 N 0.34 0.00 0.16 6.45 3.32 -1.45 -1.97 116.42 123.27 3g4s h ASP 15 Ca 0.07 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.89 3g4s h ASP 15 Cb 0.61 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.18 3g4s h ASP 15 CO 0.04 0.17 -0.99 0.00 -1.72 0.00 0.00 179.24 176.74 3g4s h ALA 16 N 1.83 -0.10 0.00 3.45 0.00 -0.88 -3.20 119.26 120.36 3g4s h ALA 16 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 3g4s h ALA 16 Cb 0.40 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3g4s h ALA 16 CO 0.02 0.46 -0.61 -0.07 0.00 0.00 0.00 179.25 179.06 3g4s h LEU 17 N -0.21 0.00 -0.76 0.00 3.38 -1.17 -2.83 115.31 113.73 3g4s h LEU 17 Ca -0.17 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 3g4s h LEU 17 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 3g4s h LEU 17 CO 0.19 0.61 -0.21 -0.33 0.09 0.00 0.00 178.44 178.78 3g4s h GLU 18 N 0.00 0.72 0.00 1.13 5.08 -1.49 -0.52 114.58 119.50 3g4s h GLU 18 Ca -0.01 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3g4s h GLU 18 Cb 1.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3g4s h GLU 18 CO 0.08 0.87 -0.41 0.00 -1.00 0.00 0.00 179.01 178.55 3g4s h ALA 19 N 1.13 1.11 0.09 3.43 0.00 -1.53 -2.81 119.26 120.69 3g4s h ALA 19 Ca 0.09 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 3g4s h ALA 19 Cb 0.70 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3g4s h ALA 19 CO 0.05 0.51 -1.30 1.25 0.00 0.00 0.00 179.25 179.76 3g4s h LEU 20 N 0.00 0.31 -1.44 0.00 5.85 -1.20 -2.89 115.31 115.93 3g4s h LEU 20 Ca -0.00 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 3g4s h LEU 20 Cb 0.83 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3g4s h LEU 20 CO 0.05 1.29 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.83 3g4s h GLU 21 N 0.05 0.00 0.00 1.25 5.08 -0.87 -2.17 114.58 117.92 3g4s h GLU 21 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3g4s h GLU 21 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 3g4s h GLU 21 CO 0.17 0.28 -0.99 1.33 -1.00 0.00 0.00 179.01 178.81 3g4s n VAL 22 N -4.09 0.20 0.23 3.13 0.24 -1.08 -4.08 118.33 112.88 3g4s n VAL 22 Ca -0.02 -0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.15 3g4s n VAL 22 Cb 0.34 0.16 0.45 0.00 -1.47 0.00 0.00 33.84 33.32 3g4s n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g4s h ALA 23 N 2.53 0.98 0.00 2.33 0.00 -1.16 -2.78 119.26 121.16 3g4s h ALA 23 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g4s h ALA 23 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3g4s h ALA 23 CO 0.00 0.16 -1.05 2.89 0.00 0.00 0.00 179.25 181.25 3g4s n ARG 24 N -3.22 0.54 -0.24 0.00 1.85 -1.20 -2.87 116.66 111.51 3g4s n ARG 24 Ca 0.01 0.08 0.11 0.00 -1.00 0.00 0.00 57.85 57.05 3g4s n ARG 24 Cb 0.43 -1.76 0.27 0.00 -1.05 0.00 0.00 32.46 30.35 3g4s n ARG 24 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3g4s n ASP 25 N -2.49 3.20 0.00 2.89 8.00 -1.07 -4.72 116.55 122.35 3g4s n ASP 25 Ca 0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3g4s n ASP 25 Cb 0.53 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3g4s n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3g4s n THR 26 N 1.28 0.00 0.00 -3.53 -1.04 -1.07 -5.07 114.28 104.85 3g4s n THR 26 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3g4s n THR 26 Cb 0.54 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 3g4s n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g4s n GLY 27 N 1.90 0.53 3.05 3.41 0.00 -1.14 -5.05 105.19 107.89 3g4s n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3g4s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s s ALA 28 N -3.14 0.51 0.35 4.61 0.00 -1.19 -4.68 121.76 118.21 3g4s s ALA 28 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3g4s s ALA 28 Cb 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 3g4s s ALA 28 CO 0.00 -0.05 0.05 0.14 0.00 0.00 0.00 175.76 175.89 3g4s s VAL 29 N -1.49 1.40 -0.21 0.00 -7.23 -1.26 -2.36 120.40 109.26 3g4s s VAL 29 Ca -0.10 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 3g4s s VAL 29 Cb -0.09 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 34.04 3g4s s VAL 29 CO -0.00 -0.00 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.15 3g4s s LYS 30 N -3.84 1.98 -0.34 4.82 -0.14 0.98 -4.85 119.74 118.35 3g4s s LYS 30 Ca 0.36 -0.91 -0.08 0.00 -1.36 0.00 0.00 55.97 53.98 3g4s s LYS 30 Cb 0.09 -2.48 0.03 0.00 -1.68 0.00 0.00 37.83 33.78 3g4s s LYS 30 CO 0.16 -0.47 0.13 0.15 -0.76 0.00 0.00 175.35 174.56 3g4s s LYS 31 N 1.37 2.85 0.00 1.68 1.02 -1.26 -0.94 119.74 124.46 3g4s s LYS 31 Ca -0.03 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.93 3g4s s LYS 31 Cb -0.17 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 3g4s s LYS 31 CO -0.08 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.16 3g4s n GLY 32 N 4.89 3.59 0.41 -3.33 0.00 -1.17 -4.82 105.19 104.76 3g4s n GLY 32 Ca -0.13 -1.35 0.22 0.00 0.00 0.00 0.00 46.02 44.76 3g4s n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g4s h THR 33 N 0.00 0.60 -0.22 2.61 2.02 -1.94 -2.00 112.91 113.98 3g4s h THR 33 Ca 0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3g4s h THR 33 Cb 0.00 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3g4s h THR 33 CO 0.00 0.07 0.05 -1.13 0.37 0.00 0.00 175.52 174.88 3g4s h ASN 34 N 0.36 0.34 0.64 4.18 -1.24 -1.92 -2.19 115.58 115.76 3g4s h ASN 34 Ca 0.52 -0.24 -0.09 0.00 0.71 0.00 0.00 56.30 57.20 3g4s h ASN 34 Cb 1.39 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 3g4s h ASN 34 CO -0.20 0.49 -0.45 -0.33 -1.29 0.00 0.00 177.43 175.65 3g4s h GLU 35 N 0.18 0.00 -0.03 6.67 5.08 -1.69 -3.02 114.58 121.77 3g4s h GLU 35 Ca 0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 3g4s h GLU 35 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3g4s h GLU 35 CO 0.00 0.45 -0.76 1.15 -1.00 0.00 0.00 179.01 178.84 3g4s h THR 36 N 0.00 1.43 -0.37 1.13 2.02 -1.33 -2.82 112.91 112.96 3g4s h THR 36 Ca -0.00 -2.32 -0.16 0.00 0.77 0.00 0.00 66.41 64.69 3g4s h THR 36 Cb 0.89 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 3g4s h THR 36 CO 0.06 0.68 -0.41 0.74 0.37 0.00 0.00 175.52 176.96 3g4s h THR 37 N 0.17 1.27 0.00 3.16 2.02 -1.27 -2.82 112.91 115.44 3g4s h THR 37 Ca -0.03 -1.58 -0.07 0.00 0.77 0.00 0.00 66.41 65.50 3g4s h THR 37 Cb 1.34 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 3g4s h THR 37 CO 0.12 0.53 -0.33 0.11 0.37 0.00 0.00 175.52 176.32 3g4s h LYS 38 N 0.75 0.00 -0.12 6.66 1.57 -1.55 -2.36 116.57 121.53 3g4s h LYS 38 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3g4s h LYS 38 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 3g4s h LYS 38 CO 0.10 0.33 0.01 1.03 -0.57 0.00 0.00 179.45 180.35 3g4s h SER 39 N 0.00 0.20 -0.70 0.86 0.87 -1.31 0.21 113.55 113.68 3g4s h SER 39 Ca -0.00 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 3g4s h SER 39 Cb 0.74 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 3g4s h SER 39 CO 0.04 0.44 0.30 0.40 -0.53 0.00 0.00 176.83 177.49 3g4s h ILE 40 N -0.05 1.24 -0.21 2.23 2.04 -1.28 0.16 117.51 121.64 3g4s h ILE 40 Ca 0.03 -0.74 -0.19 0.00 1.00 0.00 0.00 64.86 64.96 3g4s h ILE 40 Cb 0.34 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3g4s h ILE 40 CO 0.00 0.30 -0.63 -0.33 0.00 0.00 0.00 178.15 177.49 3g4s h GLU 41 N 1.04 0.75 0.00 2.37 5.08 -1.18 -2.97 114.58 119.67 3g4s h GLU 41 Ca 0.24 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3g4s h GLU 41 Cb 0.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g4s h GLU 41 CO -0.02 1.15 -0.12 0.54 -1.00 0.00 0.00 179.01 179.56 3g4s n ARG 42 N -3.96 0.26 0.00 2.33 1.74 0.73 -4.94 116.66 112.83 3g4s n ARG 42 Ca -0.05 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3g4s n ARG 42 Cb 0.67 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3g4s n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 43 N 1.32 2.69 0.00 -0.13 0.00 0.50 -4.92 105.19 104.66 3g4s n GLY 43 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3g4s n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g4s n SER 44 N 0.00 0.00 -4.73 1.61 3.41 -0.89 -4.69 113.62 108.34 3g4s n SER 44 Ca 0.00 -0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 3g4s n SER 44 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3g4s n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s s ALA 45 N -2.00 3.49 -0.21 7.33 0.00 -1.20 -4.31 121.76 124.86 3g4s s ALA 45 Ca 0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 3g4s s ALA 45 Cb 0.01 -2.64 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 3g4s s ALA 45 CO 0.01 0.04 -0.22 -1.91 0.00 0.00 0.00 175.76 173.68 3g4s n GLU 46 N 3.51 0.54 -3.85 0.00 4.07 0.05 -4.90 120.64 120.06 3g4s n GLU 46 Ca -0.07 0.35 -0.17 0.00 -0.06 0.00 0.00 57.16 57.21 3g4s n GLU 46 Cb 0.52 -1.56 -0.16 0.00 -0.06 0.00 0.00 31.44 30.18 3g4s n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3g4s s LEU 47 N -7.83 1.00 -0.08 4.31 2.96 -1.22 -4.00 118.68 113.82 3g4s s LEU 47 Ca -0.30 -0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3g4s s LEU 47 Cb 0.08 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.55 3g4s s LEU 47 CO 0.44 -0.13 -0.05 0.68 -1.32 0.00 0.00 176.35 175.97 3g4s s VAL 48 N 1.21 3.86 0.08 1.68 -7.23 -0.37 -0.41 120.40 119.21 3g4s s VAL 48 Ca -0.07 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 3g4s s VAL 48 Cb -0.13 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 3g4s s VAL 48 CO -0.02 0.60 0.08 -0.36 -0.31 0.00 0.00 175.10 175.08 3g4s s PHE 49 N -0.77 3.18 -0.04 2.82 0.40 0.31 -1.27 117.98 122.61 3g4s s PHE 49 Ca 0.12 0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3g4s s PHE 49 Cb -0.11 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.83 3g4s s PHE 49 CO 0.02 0.52 0.08 0.08 0.70 0.00 0.00 175.22 176.62 3g4s s VAL 50 N -1.39 -0.04 0.26 -0.44 1.01 -0.30 -1.46 120.40 118.04 3g4s s VAL 50 Ca 0.29 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 3g4s s VAL 50 Cb -0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 3g4s s VAL 50 CO 0.22 0.06 0.69 0.00 0.00 0.00 0.00 175.10 176.07 3g4s s ALA 51 N 0.83 3.41 -1.19 5.51 0.00 0.68 0.16 121.76 131.15 3g4s s ALA 51 Ca -0.07 0.01 0.23 0.00 0.00 0.00 0.00 51.96 52.14 3g4s s ALA 51 Cb -0.09 -2.71 0.09 0.00 0.00 0.00 0.00 23.12 20.41 3g4s s ALA 51 CO -0.03 0.37 1.12 0.39 0.00 0.00 0.00 175.76 177.61 3g4s n GLU 52 N 0.08 0.22 -1.33 0.00 1.02 0.11 -4.36 120.64 116.39 3g4s n GLU 52 Ca 0.01 -0.17 -0.25 0.00 -0.02 0.00 0.00 57.16 56.73 3g4s n GLU 52 Cb 0.52 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.56 3g4s n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3g4s n ASP 53 N -1.24 5.35 -4.64 1.62 5.75 -1.12 -4.12 116.55 118.14 3g4s n ASP 53 Ca 0.06 -3.74 -0.41 0.00 -0.01 0.00 0.00 54.79 50.68 3g4s n ASP 53 Cb 0.35 -0.78 -0.05 0.00 -1.03 0.00 0.00 41.12 39.61 3g4s n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g4s s VAL 54 N -4.15 4.94 -0.16 2.12 1.01 -1.26 -4.88 120.40 118.02 3g4s s VAL 54 Ca 0.57 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.84 3g4s s VAL 54 Cb 0.47 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.89 3g4s s VAL 54 CO 0.03 0.02 0.00 -1.58 0.00 0.00 0.00 175.10 173.57 3g4s s GLN 55 N 2.43 0.89 0.52 2.72 -0.44 -1.26 -3.56 119.66 120.95 3g4s s GLN 55 Ca 0.30 -0.35 -0.20 0.00 -2.50 0.00 0.00 55.36 52.61 3g4s s GLN 55 Cb -0.16 -1.85 -0.07 0.00 -1.64 0.00 0.00 33.01 29.30 3g4s s GLN 55 CO 0.09 -0.51 1.12 -1.25 0.50 0.00 0.00 175.29 175.24 3g4s s PRO 56 N 1.81 3.50 0.51 1.67 0.04 -1.26 -5.10 135.00 136.18 3g4s s PRO 56 Ca 0.01 1.60 0.30 0.00 0.04 0.00 0.00 61.00 62.95 3g4s s PRO 56 Cb -0.16 -2.10 1.24 0.00 0.04 0.00 0.00 34.50 33.53 3g4s s PRO 56 CO -0.07 -0.72 1.94 0.93 0.04 0.00 0.00 177.00 179.12 3g4s h GLU 57 N 1.42 0.00 -0.65 4.56 5.08 -2.00 -3.28 114.58 119.71 3g4s h GLU 57 Ca -0.50 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.04 3g4s h GLU 57 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3g4s h GLU 57 CO 0.58 0.09 0.46 0.93 -1.00 0.00 0.00 179.01 180.07 3g4s h GLU 58 N 0.00 0.03 0.00 2.33 5.08 -1.99 -0.14 114.58 119.89 3g4s h GLU 58 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3g4s h GLU 58 Cb 0.57 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3g4s h GLU 58 CO 0.01 0.02 -0.03 0.82 -1.00 0.00 0.00 179.01 178.84 3g4s h ILE 59 N 0.04 0.11 0.00 3.13 2.04 -1.97 -3.29 117.51 117.57 3g4s h ILE 59 Ca 0.31 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 3g4s h ILE 59 Cb 1.18 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3g4s h ILE 59 CO -0.01 0.03 -1.47 0.52 0.00 0.00 0.00 178.15 177.21 3g4s n VAL 60 N -3.18 0.48 0.00 1.67 0.31 -0.16 -4.85 118.33 112.60 3g4s n VAL 60 Ca -0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3g4s n VAL 60 Cb 0.23 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 3g4s n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3g4s n MET 61 N -2.65 0.00 0.12 5.55 2.81 -0.61 -0.44 117.12 121.90 3g4s n MET 61 Ca -0.14 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.73 3g4s n MET 61 Cb 0.67 0.00 0.19 0.00 -0.71 0.00 0.00 33.22 33.37 3g4s n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 3g4s h HIS 62 N 0.00 0.13 -0.68 2.03 2.07 -1.89 -3.36 115.15 113.45 3g4s h HIS 62 Ca 0.00 -0.04 0.14 0.00 -2.85 0.00 0.00 60.37 57.62 3g4s h HIS 62 Cb 0.00 -0.02 -0.10 0.00 2.57 0.00 0.00 27.41 29.85 3g4s h HIS 62 CO 0.00 0.63 0.14 0.82 -3.07 0.00 0.00 177.93 176.45 3g4s h ILE 63 N 0.08 0.54 -0.46 6.12 1.08 -1.12 0.69 117.51 124.44 3g4s h ILE 63 Ca -0.00 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3g4s h ILE 63 Cb 1.01 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 3g4s h ILE 63 CO 0.08 0.04 0.06 -0.65 -0.69 0.00 0.00 178.15 177.00 3g4s h PRO 64 N 0.24 0.72 0.00 2.37 0.11 -1.79 -1.22 132.00 132.44 3g4s h PRO 64 Ca 0.37 -0.16 -0.19 0.00 0.11 0.00 0.00 66.00 66.13 3g4s h PRO 64 Cb 0.61 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 3g4s h PRO 64 CO -0.49 0.69 -1.21 1.49 -0.21 0.00 0.00 178.00 178.28 3g4s h GLU 65 N 0.69 0.00 -0.12 1.05 4.81 -1.71 -3.20 114.58 116.10 3g4s h GLU 65 Ca 0.15 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3g4s h GLU 65 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3g4s h GLU 65 CO 0.01 0.53 -0.29 1.25 -0.73 0.00 0.00 179.01 179.78 3g4s h LEU 66 N 0.00 0.47 -1.86 1.64 5.85 -0.74 -2.57 115.31 118.10 3g4s h LEU 66 Ca -0.13 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.00 3g4s h LEU 66 Cb 1.69 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 3g4s h LEU 66 CO 0.08 0.96 -0.10 0.00 -0.34 0.00 0.00 178.44 179.03 3g4s h ALA 67 N 0.53 1.17 0.08 1.25 0.00 -1.37 -2.56 119.26 118.35 3g4s h ALA 67 Ca -0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 3g4s h ALA 67 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3g4s h ALA 67 CO 0.06 0.13 -1.22 -0.44 0.00 0.00 0.00 179.25 177.78 3g4s h ASP 68 N 0.00 0.26 -0.14 0.00 5.19 -1.52 -1.23 116.42 118.97 3g4s h ASP 68 Ca -0.00 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3g4s h ASP 68 Cb 0.38 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.81 3g4s h ASP 68 CO 0.01 1.23 0.00 -1.84 -3.12 0.00 0.00 179.24 175.53 3g4s n GLU 69 N -3.44 1.80 0.00 3.56 0.28 -0.98 -3.52 120.64 118.33 3g4s n GLU 69 Ca -0.07 -1.19 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 3g4s n GLU 69 Cb 1.00 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 32.44 3g4s n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3g4s n LYS 70 N 0.42 0.77 0.00 3.44 4.76 -0.99 -5.02 118.16 121.54 3g4s n LYS 70 Ca 0.17 -0.81 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 3g4s n LYS 70 Cb 0.37 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 3g4s n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g4s n GLY 71 N -0.19 1.00 3.65 0.72 0.00 -0.75 -4.95 105.19 104.67 3g4s n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3g4s n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 72 N -1.63 3.39 0.31 1.61 1.01 -0.54 -4.94 120.40 119.60 3g4s s VAL 72 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 3g4s s VAL 72 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 3g4s s VAL 72 CO 0.00 -0.08 1.48 -2.84 0.00 0.00 0.00 175.10 173.66 3g4s s PRO 73 N 4.50 4.19 0.20 2.72 0.02 -1.26 -4.50 135.00 140.88 3g4s s PRO 73 Ca 0.80 2.45 0.10 0.00 0.02 0.00 0.00 61.00 64.36 3g4s s PRO 73 Cb -0.34 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 3g4s s PRO 73 CO 0.33 -0.48 -0.20 -0.59 -0.33 0.00 0.00 177.00 175.73 3g4s s PHE 74 N -0.44 2.05 -0.02 6.54 -0.12 -1.26 -1.24 117.98 123.49 3g4s s PHE 74 Ca 0.57 -0.42 -0.06 0.00 -0.05 0.00 0.00 56.93 56.98 3g4s s PHE 74 Cb -0.45 -0.98 0.00 0.00 -0.63 0.00 0.00 43.02 40.96 3g4s s PHE 74 CO 0.51 0.46 0.13 -1.50 -0.05 0.00 0.00 175.22 174.77 3g4s s ILE 75 N -2.11 0.06 -0.10 -4.49 2.07 -0.40 -4.96 121.20 111.27 3g4s s ILE 75 Ca 0.21 -0.46 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 3g4s s ILE 75 Cb -0.06 -0.34 -0.05 0.00 0.13 0.00 0.00 42.46 42.15 3g4s s ILE 75 CO 0.09 -0.25 0.25 -0.36 -1.91 0.00 0.00 174.94 172.75 3g4s s PHE 76 N -0.87 3.60 -0.04 3.50 0.40 -1.26 -1.16 117.98 122.15 3g4s s PHE 76 Ca -0.10 0.66 0.06 0.00 -0.60 0.00 0.00 56.93 56.96 3g4s s PHE 76 Cb -0.05 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 3g4s s PHE 76 CO 0.01 0.59 -0.22 0.08 0.70 0.00 0.00 175.22 176.38 3g4s s VAL 77 N -0.67 2.42 -0.00 -0.44 1.01 0.12 -4.84 120.40 118.00 3g4s s VAL 77 Ca 0.17 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 3g4s s VAL 77 Cb -0.13 -1.89 -0.16 0.00 0.00 0.00 0.00 36.38 34.20 3g4s s VAL 77 CO 0.06 0.58 1.15 -0.33 0.00 0.00 0.00 175.10 176.56 3g4s h GLU 78 N 5.61 -0.43 -5.95 2.72 4.39 -1.95 0.32 114.58 119.28 3g4s h GLU 78 Ca -0.41 0.03 -0.66 0.00 0.34 0.00 0.00 59.36 58.66 3g4s h GLU 78 Cb 1.14 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.79 3g4s h GLU 78 CO 0.48 -0.11 -0.57 -0.65 -1.16 0.00 0.00 179.01 177.00 3g4s s GLN 79 N -4.46 3.10 0.18 2.33 -0.21 -1.26 -2.81 119.66 116.53 3g4s s GLN 79 Ca -0.14 -0.43 -0.09 0.00 0.02 0.00 0.00 55.36 54.72 3g4s s GLN 79 Cb 0.02 -2.89 0.06 0.00 1.00 0.00 0.00 33.01 31.20 3g4s s GLN 79 CO 0.51 0.67 1.64 0.37 -2.12 0.00 0.00 175.29 176.36 3g4s h GLN 80 N 4.35 1.08 0.00 2.91 4.15 -1.89 -3.11 115.11 122.60 3g4s h GLN 80 Ca -0.50 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 58.57 3g4s h GLN 80 Cb 1.19 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3g4s h GLN 80 CO 0.61 1.06 -0.32 -0.25 -1.93 0.00 0.00 178.83 178.00 3g4s n ASP 81 N -4.18 0.76 0.07 -0.69 8.00 -1.26 -2.02 116.55 117.23 3g4s n ASP 81 Ca 0.03 0.34 -0.14 0.00 0.71 0.00 0.00 54.79 55.74 3g4s n ASP 81 Cb 0.35 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 3g4s n ASP 81 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3g4s h ASP 82 N 0.00 0.52 1.52 -2.24 5.19 -1.90 -1.43 116.42 118.08 3g4s h ASP 82 Ca 0.00 -0.43 -0.10 0.00 -0.62 0.00 0.00 57.03 55.89 3g4s h ASP 82 Cb 0.74 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3g4s h ASP 82 CO 0.00 1.23 -0.48 0.25 -3.12 0.00 0.00 179.24 177.12 3g4s h LEU 83 N 0.21 0.00 -0.03 1.55 5.85 -1.56 -2.73 115.31 118.61 3g4s h LEU 83 Ca -0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3g4s h LEU 83 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 3g4s h LEU 83 CO 0.17 0.46 -0.08 1.23 -0.34 0.00 0.00 178.44 179.88 3g4s h GLY 84 N 3.54 0.12 2.00 3.75 0.00 -1.26 -2.42 103.07 108.80 3g4s h GLY 84 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3g4s h GLY 84 CO 0.06 0.13 -0.39 0.84 0.00 0.00 0.00 176.54 177.18 3g4s h HIS 85 N -0.46 0.00 0.00 5.60 -0.00 -1.33 -0.99 115.15 117.97 3g4s h HIS 85 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 3g4s h HIS 85 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 3g4s h HIS 85 CO 0.13 0.39 -0.44 0.00 -0.00 0.00 0.00 177.93 178.01 3g4s h ALA 86 N 1.61 0.91 0.00 5.26 0.00 -1.47 -2.75 119.26 122.82 3g4s h ALA 86 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3g4s h ALA 86 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3g4s h ALA 86 CO 0.05 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.48 3g4s h ALA 87 N 1.56 0.79 -0.03 0.00 0.00 -1.08 -3.31 119.26 117.19 3g4s h ALA 87 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g4s h ALA 87 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3g4s h ALA 87 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3g4s n GLY 88 N 1.22 1.56 3.65 0.00 0.00 -1.04 -4.92 105.19 105.67 3g4s n GLY 88 Ca 0.03 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 3g4s n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g4s s LEU 89 N -0.03 3.23 0.08 0.99 1.43 -0.41 -5.02 118.68 118.95 3g4s s LEU 89 Ca 0.00 -0.61 0.13 0.00 -1.03 0.00 0.00 54.13 52.62 3g4s s LEU 89 Cb 0.00 -1.76 -0.14 0.00 0.03 0.00 0.00 46.19 44.32 3g4s s LEU 89 CO 0.00 0.01 0.98 -0.33 0.23 0.00 0.00 176.35 177.23 3g4s h GLU 90 N 1.92 0.00 0.00 1.70 5.08 -1.96 -3.34 114.58 117.98 3g4s h GLU 90 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3g4s h GLU 90 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3g4s h GLU 90 CO 0.60 0.53 0.00 0.28 -1.00 0.00 0.00 179.01 179.42 3g4s n VAL 91 N -3.08 0.00 -3.89 3.13 0.31 -1.26 -4.97 118.33 108.56 3g4s n VAL 91 Ca -0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 3g4s n VAL 91 Cb 0.90 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.74 3g4s n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3g4s s GLY 92 N 0.00 0.09 -0.01 2.92 0.00 -1.26 -4.41 107.32 104.65 3g4s s GLY 92 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.47 3g4s s GLY 92 CO 0.00 -0.48 -0.25 -0.45 0.00 0.00 0.00 173.10 171.93 3g4s s SER 93 N -1.83 2.88 0.12 1.64 0.15 -0.86 -4.90 113.70 110.91 3g4s s SER 93 Ca -0.09 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.16 3g4s s SER 93 Cb -0.04 -0.31 -0.19 0.00 -1.71 0.00 0.00 66.02 63.77 3g4s s SER 93 CO -0.02 0.29 1.28 0.00 1.20 0.00 0.00 173.24 175.99 3g4s h ALA 94 N 5.43 0.35 -2.27 5.45 0.00 -1.96 -3.42 119.26 122.83 3g4s h ALA 94 Ca -0.42 -0.89 -0.06 0.00 0.00 0.00 0.00 54.91 53.53 3g4s h ALA 94 Cb 1.13 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.56 3g4s h ALA 94 CO 0.47 1.19 -0.02 0.00 0.00 0.00 0.00 179.25 180.89 3g4s s ALA 95 N -2.75 -1.51 0.31 0.00 0.00 -1.26 -0.23 121.76 116.31 3g4s s ALA 95 Ca 0.00 1.76 0.07 0.00 0.00 0.00 0.00 51.96 53.79 3g4s s ALA 95 Cb 0.10 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 3g4s s ALA 95 CO 0.83 -0.29 -0.05 0.00 0.00 0.00 0.00 175.76 176.24 3g4s s ALA 96 N 0.48 2.55 0.01 0.00 0.00 -0.53 -3.04 121.76 121.23 3g4s s ALA 96 Ca -0.01 -1.99 -0.10 0.00 0.00 0.00 0.00 51.96 49.86 3g4s s ALA 96 Cb -0.04 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3g4s s ALA 96 CO -0.01 -0.06 0.20 0.00 0.00 0.00 0.00 175.76 175.89 3g4s s ALA 97 N -2.92 -0.45 -0.30 0.00 0.00 -0.11 0.11 121.76 118.09 3g4s s ALA 97 Ca 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 3g4s s ALA 97 Cb 0.04 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.36 3g4s s ALA 97 CO 0.14 -0.28 0.03 0.08 0.00 0.00 0.00 175.76 175.73 3g4s s VAL 98 N -1.81 3.34 -0.47 0.00 1.01 0.45 -0.01 120.40 122.90 3g4s s VAL 98 Ca -0.11 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.61 3g4s s VAL 98 Cb -0.05 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.60 3g4s s VAL 98 CO 0.00 -0.04 0.36 0.28 0.00 0.00 0.00 175.10 175.70 3g4s s THR 99 N 1.35 4.63 -0.32 3.92 -1.32 -0.99 -0.77 115.64 122.14 3g4s s THR 99 Ca -0.02 -1.46 -0.02 0.00 -1.21 0.00 0.00 61.69 58.98 3g4s s THR 99 Cb -0.19 -3.90 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 3g4s s THR 99 CO -0.00 -0.67 0.06 0.47 -2.21 0.00 0.00 174.62 172.27 3g4s n ASP 100 N 5.04 -7.97 0.00 8.08 9.92 -1.26 -3.78 116.55 126.58 3g4s n ASP 100 Ca -0.11 1.34 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 3g4s n ASP 100 Cb 0.42 -5.31 0.00 0.00 -0.64 0.00 0.00 41.12 35.59 3g4s n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g4s n ALA 101 N 0.60 0.00 -0.44 2.24 0.00 -1.26 -3.85 120.51 117.80 3g4s n ALA 101 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3g4s n ALA 101 Cb 0.05 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3g4s n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 102 N -0.60 -0.73 3.83 0.00 0.00 -1.26 -3.29 105.19 103.14 3g4s n GLY 102 Ca 0.00 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 3g4s n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g4s n GLU 103 N 1.60 -5.15 0.00 1.61 1.02 -1.26 -4.63 120.64 113.83 3g4s n GLU 103 Ca 0.00 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3g4s n GLU 103 Cb 0.00 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.12 3g4s n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g4s n ALA 104 N -4.50 0.00 0.26 0.62 0.00 -1.26 -4.96 120.51 110.68 3g4s n ALA 104 Ca -0.12 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.47 3g4s n ALA 104 Cb 0.60 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.88 3g4s n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g4s h ASP 105 N 0.00 0.00 0.64 0.00 3.32 -1.93 0.14 116.42 118.59 3g4s h ASP 105 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g4s h ASP 105 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g4s h ASP 105 CO 0.00 0.00 -0.32 0.00 -1.72 0.00 0.00 179.24 177.20 3g4s n ALA 106 N -1.88 3.12 -0.03 3.45 0.00 -1.26 -3.45 120.51 120.46 3g4s n ALA 106 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 3g4s n ALA 106 Cb 0.15 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 3g4s n ALA 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g4s n ASP 107 N -1.45 3.57 -0.02 0.00 8.00 0.31 -4.55 116.55 122.41 3g4s n ASP 107 Ca 0.07 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3g4s n ASP 107 Cb 0.33 0.25 0.30 0.00 -0.02 0.00 0.00 41.12 41.98 3g4s n ASP 107 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3g4s h VAL 108 N 0.00 1.19 -0.53 2.53 2.07 -1.24 0.45 116.25 120.72 3g4s h VAL 108 Ca -0.15 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 3g4s h VAL 108 Cb 1.28 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3g4s h VAL 108 CO -0.01 0.25 0.14 -0.08 0.02 0.00 0.00 177.57 177.89 3g4s h GLU 109 N 0.56 0.80 0.14 1.57 4.81 -1.81 -0.87 114.58 119.78 3g4s h GLU 109 Ca 0.13 -0.16 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 3g4s h GLU 109 Cb 0.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3g4s h GLU 109 CO 0.00 0.72 -1.44 -0.44 -0.73 0.00 0.00 179.01 177.12 3g4s h ASP 110 N 0.78 0.47 -0.40 1.04 3.32 -1.58 -2.91 116.42 117.13 3g4s h ASP 110 Ca 0.17 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 3g4s h ASP 110 Cb 0.27 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3g4s h ASP 110 CO -0.00 1.47 0.13 0.40 -1.72 0.00 0.00 179.24 179.52 3g4s h ILE 111 N 0.08 1.21 0.00 0.35 2.04 -0.76 0.46 117.51 120.89 3g4s h ILE 111 Ca -0.21 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3g4s h ILE 111 Cb 2.02 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3g4s h ILE 111 CO 0.19 0.24 -0.16 0.00 0.00 0.00 0.00 178.15 178.42 3g4s h ALA 112 N 0.98 1.70 0.00 1.87 0.00 -1.26 -2.16 119.26 120.40 3g4s h ALA 112 Ca 0.13 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3g4s h ALA 112 Cb 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3g4s h ALA 112 CO -0.01 0.20 -1.33 -0.44 0.00 0.00 0.00 179.25 177.67 3g4s h ASP 113 N 0.00 0.00 1.06 0.00 3.32 -1.17 -3.22 116.42 116.41 3g4s h ASP 113 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g4s h ASP 113 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3g4s h ASP 113 CO 0.02 0.89 0.00 0.29 -1.72 0.00 0.00 179.24 178.72 3g4s n LYS 114 N -3.13 0.19 -0.01 3.56 5.02 0.15 -2.28 118.16 121.66 3g4s n LYS 114 Ca -0.09 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 3g4s n LYS 114 Cb 0.96 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 34.05 3g4s n LYS 114 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3g4s h VAL 115 N 0.00 0.79 -0.01 -0.18 2.07 -1.54 -3.17 116.25 114.21 3g4s h VAL 115 Ca 0.00 -2.59 -0.13 0.00 0.82 0.00 0.00 66.70 64.80 3g4s h VAL 115 Cb 0.53 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 3g4s h VAL 115 CO 0.00 0.64 -0.59 -0.33 0.02 0.00 0.00 177.57 177.31 3g4s h GLU 116 N 0.03 0.05 -0.01 1.57 4.39 -1.52 -1.14 114.58 117.94 3g4s h GLU 116 Ca -0.33 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.19 3g4s h GLU 116 Cb 2.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.66 3g4s h GLU 116 CO 0.09 0.62 -0.72 0.93 -1.16 0.00 0.00 179.01 178.76 3g4s h GLU 117 N 0.03 0.06 -0.01 2.33 5.08 -1.59 -2.69 114.58 117.80 3g4s h GLU 117 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3g4s h GLU 117 Cb 1.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3g4s h GLU 117 CO 0.08 0.76 -0.05 -0.11 -1.00 0.00 0.00 179.01 178.69 3g4s n LEU 118 N -3.71 1.13 0.00 1.33 7.94 -1.01 -5.11 117.00 117.56 3g4s n LEU 118 Ca -0.01 -0.35 0.00 0.00 -1.11 0.00 0.00 56.01 54.54 3g4s n LEU 118 Cb 0.70 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.62 3g4s n LEU 118 CO 0.44 0.19 0.00 -1.14 -1.11 0.00 0.00 177.39 175.77