#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s ARG 2 N 0.00 2.35 0.31 0.00 0.52 -1.26 -5.04 118.95 115.82 3g4s s ARG 2 Ca 0.00 1.49 -0.06 0.00 -0.52 0.00 0.00 55.73 56.63 3g4s s ARG 2 Cb 0.00 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 3g4s s ARG 2 CO 0.00 -1.62 0.59 -1.54 0.02 0.00 0.00 175.30 172.75 3g4s s SER 3 N -2.54 6.47 0.53 0.23 1.04 -1.26 -4.96 113.70 113.20 3g4s s SER 3 Ca 0.68 0.80 0.28 0.00 0.48 0.00 0.00 55.95 58.19 3g4s s SER 3 Cb -0.23 -2.18 1.48 0.00 0.10 0.00 0.00 66.02 65.19 3g4s s SER 3 CO 0.46 -0.23 2.09 0.00 0.98 0.00 0.00 173.24 176.54 3g4s h ALA 4 N 1.65 1.30 -0.63 5.32 0.00 -2.02 -1.97 119.26 122.91 3g4s h ALA 4 Ca -0.48 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 3g4s h ALA 4 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3g4s h ALA 4 CO 0.66 0.14 0.06 1.88 0.00 0.00 0.00 179.25 181.98 3g4s h TYR 5 N 0.00 1.15 0.00 0.00 0.99 -2.00 -2.77 116.97 114.34 3g4s h TYR 5 Ca -0.00 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.55 3g4s h TYR 5 Cb 0.31 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3g4s h TYR 5 CO 0.00 0.99 0.00 -1.13 -0.00 0.00 0.00 178.16 178.02 3g4s n SER 6 N -4.22 0.00 -0.03 3.88 3.41 -0.74 -1.14 113.62 114.78 3g4s n SER 6 Ca 0.03 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 59.04 3g4s n SER 6 Cb 0.32 -0.34 0.07 0.00 -0.26 0.00 0.00 64.21 63.99 3g4s n SER 6 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g4s n TYR 7 N -1.34 0.00 -0.10 7.33 4.02 -1.05 -2.72 117.16 123.30 3g4s n TYR 7 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.75 3g4s n TYR 7 Cb 0.05 -0.12 -0.13 0.00 -0.02 0.00 0.00 39.34 39.12 3g4s n TYR 7 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3g4s n ILE 8 N -1.42 1.51 -0.12 -0.72 5.41 -0.29 -3.57 119.36 120.17 3g4s n ILE 8 Ca 0.05 -0.67 -0.10 0.00 1.00 0.00 0.00 62.75 63.04 3g4s n ILE 8 Cb 0.34 -1.20 -0.02 0.00 -0.71 0.00 0.00 39.64 38.05 3g4s n ILE 8 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3g4s h ARG 9 N 0.01 0.54 0.00 0.38 2.43 -1.61 -1.15 114.38 114.99 3g4s h ARG 9 Ca -0.54 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.48 3g4s h ARG 9 Cb 2.01 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.48 3g4s h ARG 9 CO -0.03 0.58 -0.13 0.22 -1.51 0.00 0.00 179.97 179.10 3g4s h ASP 10 N 0.40 0.00 0.25 -3.80 1.82 -1.70 -2.83 116.42 110.56 3g4s h ASP 10 Ca 0.11 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.42 3g4s h ASP 10 Cb 0.27 0.00 0.04 0.00 0.68 0.00 0.00 39.33 40.32 3g4s h ASP 10 CO -0.00 0.13 -1.44 0.00 -1.61 0.00 0.00 179.24 176.32 3g4s h ALA 11 N 1.87 -0.15 0.00 -0.78 0.00 -1.52 -3.29 119.26 115.38 3g4s h ALA 11 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3g4s h ALA 11 Cb 0.67 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3g4s h ALA 11 CO 0.02 0.67 0.00 0.91 0.00 0.00 0.00 179.25 180.85 3g4s n TRP 12 N -3.75 0.00 0.20 0.00 7.02 -0.47 -2.65 117.44 117.79 3g4s n TRP 12 Ca -0.17 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.40 3g4s n TRP 12 Cb 1.08 0.00 0.29 0.00 -2.42 0.00 0.00 31.31 30.26 3g4s n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3g4s h LYS 13 N 0.00 0.00 -2.24 -0.99 1.57 -1.59 -3.36 116.57 109.96 3g4s h LYS 13 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3g4s h LYS 13 Cb 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 31.93 3g4s h LYS 13 CO 0.00 0.24 -1.02 0.09 -0.57 0.00 0.00 179.45 178.19 3g4s n ASN 14 N -3.25 -0.21 -1.72 0.86 3.02 -1.09 -5.02 115.26 107.85 3g4s n ASN 14 Ca 0.02 -2.49 -0.01 0.00 -0.03 0.00 0.00 54.58 52.06 3g4s n ASN 14 Cb 0.53 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3g4s n ASN 14 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3g4s n PRO 15 N 2.32 0.79 -0.12 3.52 -0.04 -1.26 -2.66 135.00 137.57 3g4s n PRO 15 Ca 0.27 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3g4s n PRO 15 Cb 0.50 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 3g4s n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4s n GLY 16 N 1.79 0.49 2.95 0.55 0.00 -1.26 -4.63 105.19 105.07 3g4s n GLY 16 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3g4s n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g4s s ASP 17 N -0.04 3.10 0.46 1.61 1.01 -1.09 -4.75 116.67 116.98 3g4s s ASP 17 Ca 0.00 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.49 3g4s s ASP 17 Cb 0.00 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.85 3g4s s ASP 17 CO 0.00 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 175.83 3g4s n GLY 18 N 4.78 0.56 0.25 0.21 0.00 -1.26 -4.27 105.19 105.45 3g4s n GLY 18 Ca -0.13 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 44.89 3g4s n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g4s h GLN 19 N 0.00 0.30 0.00 1.61 4.20 -1.98 -2.66 115.11 116.59 3g4s h GLN 19 Ca 0.00 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3g4s h GLN 19 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3g4s h GLN 19 CO 0.00 0.40 -0.61 1.25 -0.67 0.00 0.00 178.83 179.20 3g4s h LEU 20 N 0.29 0.00 -0.27 1.46 5.85 -1.92 -2.66 115.31 118.06 3g4s h LEU 20 Ca 0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3g4s h LEU 20 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3g4s h LEU 20 CO 0.02 0.61 0.05 0.00 -0.34 0.00 0.00 178.44 178.78 3g4s h ALA 21 N 1.39 0.36 0.00 1.25 0.00 -1.68 0.14 119.26 120.72 3g4s h ALA 21 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3g4s h ALA 21 Cb 1.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3g4s h ALA 21 CO 0.08 0.04 -0.35 1.49 0.00 0.00 0.00 179.25 180.51 3g4s h GLU 22 N 0.27 0.00 0.07 0.00 4.81 -1.57 -2.82 114.58 115.33 3g4s h GLU 22 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3g4s h GLU 22 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3g4s h GLU 22 CO 0.00 0.35 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.53 3g4s h LEU 23 N 0.00 -0.08 -2.20 1.64 3.38 -1.09 -3.20 115.31 113.76 3g4s h LEU 23 Ca -0.00 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 3g4s h LEU 23 Cb 0.94 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3g4s h LEU 23 CO 0.05 0.59 -0.02 1.56 0.09 0.00 0.00 178.44 180.70 3g4s h GLN 24 N -0.84 0.00 -0.12 1.13 1.08 -1.00 -0.57 115.11 114.79 3g4s h GLN 24 Ca -0.01 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 3g4s h GLN 24 Cb 0.62 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.05 3g4s h GLN 24 CO 0.02 0.02 -0.80 2.35 -0.95 0.00 0.00 178.83 179.47 3g4s h TRP 25 N 0.00 0.95 0.12 2.96 7.01 -1.57 -3.06 115.95 122.36 3g4s h TRP 25 Ca -0.00 -0.43 -0.01 0.00 2.11 0.00 0.00 58.89 60.56 3g4s h TRP 25 Cb 0.26 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3g4s h TRP 25 CO 0.00 1.25 -0.06 1.96 -2.79 0.00 0.00 178.44 178.80 3g4s h GLN 26 N 0.46 -0.16 -0.70 2.65 4.20 -1.34 -3.35 115.11 116.88 3g4s h GLN 26 Ca -0.06 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.75 3g4s h GLN 26 Cb 1.42 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.17 3g4s h GLN 26 CO 0.16 0.31 0.36 0.00 -0.67 0.00 0.00 178.83 178.98 3g4s h ARG 27 N -0.86 0.60 0.00 1.46 3.08 -1.26 -2.39 114.38 115.01 3g4s h ARG 27 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3g4s h ARG 27 Cb 0.54 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3g4s h ARG 27 CO 0.03 0.40 -0.03 1.96 -1.07 0.00 0.00 179.97 181.26 3g4s h GLN 28 N 0.62 0.00 -0.11 0.04 4.20 -1.69 -0.29 115.11 117.88 3g4s h GLN 28 Ca 0.34 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 3g4s h GLN 28 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3g4s h GLN 28 CO -0.25 0.03 -0.42 1.96 -0.67 0.00 0.00 178.83 179.47 3g4s h GLN 29 N 0.00 0.25 0.01 1.46 4.20 -1.55 0.20 115.11 119.68 3g4s h GLN 29 Ca -0.00 -0.12 -0.30 0.00 0.06 0.00 0.00 58.65 58.29 3g4s h GLN 29 Cb 0.17 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3g4s h GLN 29 CO 0.00 0.64 -1.71 0.93 -0.67 0.00 0.00 178.83 178.02 3g4s h GLU 30 N 0.21 0.03 -0.23 1.46 5.08 -1.39 -3.33 114.58 116.41 3g4s h GLU 30 Ca 0.02 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3g4s h GLU 30 Cb 0.84 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3g4s h GLU 30 CO 0.07 0.59 -0.42 -1.49 -1.00 0.00 0.00 179.01 176.76 3g4s h TRP 31 N 0.01 0.66 0.00 4.33 4.06 -0.87 -1.13 115.95 123.02 3g4s h TRP 31 Ca -0.29 -0.20 -0.06 0.00 2.06 0.00 0.00 58.89 60.41 3g4s h TRP 31 Cb 2.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 30.02 3g4s h TRP 31 CO 0.01 0.88 -0.28 0.00 -3.56 0.00 0.00 178.44 175.50 3g4s h ARG 32 N 0.45 0.00 0.00 0.49 3.08 -1.11 -2.09 114.38 115.21 3g4s h ARG 32 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3g4s h ARG 32 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3g4s h ARG 32 CO 0.08 0.28 -0.65 0.09 -1.07 0.00 0.00 179.97 178.70 3g4s n ASN 33 N -4.13 0.68 -4.89 7.04 3.02 -1.04 -4.90 115.26 111.05 3g4s n ASN 33 Ca -0.02 0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 3g4s n ASN 33 Cb 0.33 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 3g4s n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3g4s s GLU 34 N -3.16 3.58 0.00 3.52 2.02 -0.45 -5.09 118.70 119.12 3g4s s GLU 34 Ca 0.06 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.48 3g4s s GLU 34 Cb 0.14 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 32.10 3g4s s GLU 34 CO 0.73 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.09 3g4s n GLY 35 N -2.36 -3.37 0.09 -1.39 0.00 -1.26 -4.95 105.19 91.94 3g4s n GLY 35 Ca 0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 3g4s n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s h ALA 36 N -2.00 0.07 -3.29 4.61 0.00 -1.93 -3.43 119.26 113.29 3g4s h ALA 36 Ca 0.00 -0.78 -0.54 0.00 0.00 0.00 0.00 54.91 53.59 3g4s h ALA 36 Cb 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 17.79 17.66 3g4s h ALA 36 CO 0.00 0.34 -0.79 0.08 0.00 0.00 0.00 179.25 178.88 3g4s s VAL 37 N -2.33 1.02 -0.20 0.00 1.01 -1.26 -2.17 120.40 116.48 3g4s s VAL 37 Ca -0.20 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3g4s s VAL 37 Cb 0.01 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.25 3g4s s VAL 37 CO 0.71 0.18 -0.16 -1.61 0.00 0.00 0.00 175.10 174.21 3g4s s GLU 38 N 1.68 2.60 0.05 2.72 0.41 -0.85 -4.98 118.70 120.33 3g4s s GLU 38 Ca 0.02 -0.91 -0.31 0.00 -0.41 0.00 0.00 54.97 53.36 3g4s s GLU 38 Cb -0.15 -2.56 -0.06 0.00 -1.78 0.00 0.00 34.13 29.58 3g4s s GLU 38 CO -0.08 -0.32 1.35 0.50 -0.49 0.00 0.00 175.26 176.22 3g4s s ARG 39 N 1.29 4.33 -0.07 1.61 3.52 -1.26 -1.64 118.95 126.72 3g4s s ARG 39 Ca 0.01 1.96 0.04 0.00 -0.13 0.00 0.00 55.73 57.61 3g4s s ARG 39 Cb -0.15 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3g4s s ARG 39 CO -0.10 -0.46 -0.20 0.96 -0.81 0.00 0.00 175.30 174.69 3g4s s ILE 40 N 1.66 1.72 0.16 4.11 -4.36 -0.83 -4.95 121.20 118.72 3g4s s ILE 40 Ca 0.63 -0.84 -0.18 0.00 -0.26 0.00 0.00 60.65 59.99 3g4s s ILE 40 Cb -0.33 -1.49 0.08 0.00 1.25 0.00 0.00 42.46 41.97 3g4s s ILE 40 CO 0.28 0.49 1.65 -0.33 0.24 0.00 0.00 174.94 177.27 3g4s h GLU 41 N 6.57 -0.07 -6.15 0.37 5.08 -1.95 -3.38 114.58 115.06 3g4s h GLU 41 Ca -0.26 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.47 3g4s h GLU 41 Cb 1.20 0.02 -0.30 0.00 0.50 0.00 0.00 28.75 30.17 3g4s h GLU 41 CO 0.47 -0.05 -0.87 1.03 -1.00 0.00 0.00 179.01 178.60 3g4s s ARG 42 N -6.18 1.87 1.02 2.33 1.81 -1.26 -4.87 118.95 113.67 3g4s s ARG 42 Ca -0.14 -0.80 -0.12 0.00 -1.72 0.00 0.00 55.73 52.95 3g4s s ARG 42 Cb 0.14 -1.77 0.20 0.00 -0.45 0.00 0.00 34.95 33.07 3g4s s ARG 42 CO 0.70 0.46 1.08 -2.14 -0.68 0.00 0.00 175.30 174.72 3g4s s PRO 43 N -0.47 0.20 0.01 3.54 0.02 -1.26 -4.99 135.00 132.04 3g4s s PRO 43 Ca 0.07 0.93 0.15 0.00 0.02 0.00 0.00 61.00 62.18 3g4s s PRO 43 Cb -0.09 -1.68 -0.18 0.00 0.02 0.00 0.00 34.50 32.57 3g4s s PRO 43 CO -0.00 -3.00 0.73 2.41 -0.33 0.00 0.00 177.00 176.81 3g4s n THR 44 N -4.42 1.36 -3.93 0.99 -1.04 -1.26 -4.68 114.28 101.31 3g4s n THR 44 Ca 0.06 -0.74 -0.31 0.00 -2.04 0.00 0.00 64.05 61.03 3g4s n THR 44 Cb 0.54 -0.85 -0.15 0.00 -1.82 0.00 0.00 70.33 68.05 3g4s n THR 44 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3g4s s ARG 45 N -2.78 1.34 0.13 -2.82 0.52 -1.26 -5.01 118.95 109.07 3g4s s ARG 45 Ca -0.04 -1.78 -0.19 0.00 -0.52 0.00 0.00 55.73 53.21 3g4s s ARG 45 Cb 0.08 -2.89 -0.05 0.00 0.52 0.00 0.00 34.95 32.62 3g4s s ARG 45 CO 0.82 -0.98 1.77 -0.07 0.02 0.00 0.00 175.30 176.86 3g4s h LEU 46 N 7.56 0.30 0.22 2.53 3.38 -1.95 -2.16 115.31 125.19 3g4s h LEU 46 Ca -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3g4s h LEU 46 Cb 1.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3g4s h LEU 46 CO 0.52 0.23 -0.15 -2.24 0.09 0.00 0.00 178.44 176.90 3g4s h ASP 47 N 0.34 -0.38 -0.58 -0.43 2.03 -1.95 -1.71 116.42 113.74 3g4s h ASP 47 Ca 0.09 0.03 0.01 0.00 -0.73 0.00 0.00 57.03 56.43 3g4s h ASP 47 Cb -0.02 0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 38.57 3g4s h ASP 47 CO -0.02 -0.24 0.38 0.50 -1.03 0.00 0.00 179.24 178.83 3g4s h LYS 48 N -0.37 0.75 0.34 4.15 1.63 -1.94 0.11 116.57 121.24 3g4s h LYS 48 Ca -0.02 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3g4s h LYS 48 Cb 0.32 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3g4s h LYS 48 CO 0.01 0.49 -0.16 0.00 -3.45 0.00 0.00 179.45 176.34 3g4s h ALA 49 N 1.22 -0.45 -0.49 5.00 0.00 -1.32 -0.37 119.26 122.85 3g4s h ALA 49 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3g4s h ALA 49 Cb -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3g4s h ALA 49 CO -0.06 -0.71 0.23 0.00 0.00 0.00 0.00 179.25 178.71 3g4s h ARG 50 N -0.54 0.69 -0.45 0.00 3.08 -1.06 -0.73 114.38 115.38 3g4s h ARG 50 Ca -0.05 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 3g4s h ARG 50 Cb 0.40 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3g4s h ARG 50 CO 0.08 0.55 -0.10 1.03 -1.07 0.00 0.00 179.97 180.45 3g4s h SER 51 N 0.69 0.78 1.62 7.04 0.87 -0.49 -2.37 113.55 121.70 3g4s h SER 51 Ca 0.17 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3g4s h SER 51 Cb 0.09 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3g4s h SER 51 CO -0.02 0.91 0.00 1.56 -0.53 0.00 0.00 176.83 178.75 3g4s h GLN 52 N 0.72 0.00 0.00 2.24 4.20 -0.09 -3.47 115.11 118.72 3g4s h GLN 52 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3g4s h GLN 52 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3g4s h GLN 52 CO 0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 3g4s n GLY 53 N 1.02 -0.00 3.74 3.46 0.00 -0.65 -4.82 105.19 107.94 3g4s n GLY 53 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3g4s n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g4s s TYR 54 N -0.95 3.40 0.23 1.61 5.04 -0.38 -4.96 117.35 121.34 3g4s s TYR 54 Ca 0.00 1.42 0.09 0.00 -2.44 0.00 0.00 57.07 56.14 3g4s s TYR 54 Cb 0.00 -3.45 -0.05 0.00 0.35 0.00 0.00 41.96 38.81 3g4s s TYR 54 CO 0.00 -1.27 -0.16 0.15 -1.34 0.00 0.00 175.55 172.93 3g4s s LYS 55 N -0.41 1.45 -1.17 4.97 1.02 -1.26 -4.23 119.74 120.11 3g4s s LYS 55 Ca 0.52 -1.66 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 3g4s s LYS 55 Cb -0.33 -1.32 0.24 0.00 -0.52 0.00 0.00 37.83 35.89 3g4s s LYS 55 CO 0.38 0.22 1.60 0.00 -0.92 0.00 0.00 175.35 176.63 3g4s n ALA 56 N -0.47 5.06 -2.43 5.17 0.00 -1.26 -4.87 120.51 121.71 3g4s n ALA 56 Ca -0.07 -4.55 -0.21 0.00 0.00 0.00 0.00 53.44 48.61 3g4s n ALA 56 Cb 0.60 -2.67 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 3g4s n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3g4s s LYS 57 N -1.03 1.59 -0.39 0.00 2.20 -1.26 -5.11 119.74 115.74 3g4s s LYS 57 Ca 0.35 -1.85 -0.29 0.00 -0.36 0.00 0.00 55.97 53.83 3g4s s LYS 57 Cb 0.05 -0.95 0.01 0.00 -1.51 0.00 0.00 37.83 35.43 3g4s s LYS 57 CO 0.04 -0.10 1.24 -0.65 -0.36 0.00 0.00 175.35 175.52 3g4s s GLN 58 N -3.83 3.79 0.00 4.03 -0.21 -1.26 -3.27 119.66 118.91 3g4s s GLN 58 Ca 0.33 0.92 0.00 0.00 0.02 0.00 0.00 55.36 56.63 3g4s s GLN 58 Cb 0.07 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 30.17 3g4s s GLN 58 CO 0.13 -1.29 0.00 0.41 -2.12 0.00 0.00 175.29 172.43 3g4s n GLY 59 N 4.61 1.26 2.97 3.09 0.00 -1.26 -4.63 105.19 111.23 3g4s n GLY 59 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3g4s n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 60 N -2.00 2.23 0.09 1.61 1.01 -1.20 -1.31 120.40 120.83 3g4s s VAL 60 Ca 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 61.98 59.41 3g4s s VAL 60 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 3g4s s VAL 60 CO 0.00 -0.66 0.31 -0.63 0.00 0.00 0.00 175.10 174.12 3g4s s ILE 61 N 0.64 5.24 -0.01 2.22 1.09 0.64 -4.84 121.20 126.19 3g4s s ILE 61 Ca 0.13 -0.02 0.05 0.00 -1.10 0.00 0.00 60.65 59.70 3g4s s ILE 61 Cb -0.21 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 3g4s s ILE 61 CO -0.07 0.14 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.06 3g4s s VAL 62 N -1.54 1.24 -0.11 2.92 1.01 -1.26 0.12 120.40 122.78 3g4s s VAL 62 Ca 0.36 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3g4s s VAL 62 Cb -0.13 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.26 3g4s s VAL 62 CO 0.23 0.33 0.28 0.00 0.00 0.00 0.00 175.10 175.94 3g4s s ALA 63 N -0.40 -0.67 0.31 5.51 0.00 -0.71 -1.96 121.76 123.85 3g4s s ALA 63 Ca 0.06 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 3g4s s ALA 63 Cb -0.06 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 3g4s s ALA 63 CO -0.00 -0.19 0.76 0.50 0.00 0.00 0.00 175.76 176.83 3g4s s ARG 64 N 0.91 4.09 0.04 0.00 3.52 -0.65 -0.71 118.95 126.14 3g4s s ARG 64 Ca -0.06 0.77 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 3g4s s ARG 64 Cb -0.07 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 3g4s s ARG 64 CO -0.06 0.19 -0.06 0.08 -0.81 0.00 0.00 175.30 174.64 3g4s s VAL 65 N -1.89 0.39 -0.08 7.11 1.01 0.35 -2.01 120.40 125.27 3g4s s VAL 65 Ca 0.52 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3g4s s VAL 65 Cb -0.12 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.77 3g4s s VAL 65 CO 0.18 -0.44 -0.06 -0.94 0.00 0.00 0.00 175.10 173.84 3g4s s SER 66 N -1.58 1.70 0.13 3.32 1.04 -0.92 -1.95 113.70 115.44 3g4s s SER 66 Ca -0.12 -0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.19 3g4s s SER 66 Cb -0.10 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 3g4s s SER 66 CO -0.00 -0.10 -0.16 -0.69 0.98 0.00 0.00 173.24 173.27 3g4s s VAL 67 N 1.44 2.96 0.79 5.02 1.01 -0.84 -4.88 120.40 125.91 3g4s s VAL 67 Ca -0.02 -1.52 -0.14 0.00 0.00 0.00 0.00 61.98 60.31 3g4s s VAL 67 Cb -0.13 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.91 3g4s s VAL 67 CO -0.04 0.06 1.02 -2.11 0.00 0.00 0.00 175.10 174.02 3g4s n ARG 68 N 0.63 0.23 -2.51 2.72 0.00 -1.26 -0.90 116.66 115.56 3g4s n ARG 68 Ca -0.14 0.14 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 3g4s n ARG 68 Cb 0.53 -2.28 0.13 0.00 -0.00 0.00 0.00 32.46 30.84 3g4s n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3g4s s LYS 69 N -3.76 1.34 2.40 2.89 2.20 -0.94 -4.58 119.74 119.28 3g4s s LYS 69 Ca 0.71 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3g4s s LYS 69 Cb -0.30 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 3g4s s LYS 69 CO 0.53 -1.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 3g4s n GLY 70 N -3.04 -1.04 0.00 5.54 0.00 -1.26 -4.95 105.19 100.44 3g4s n GLY 70 Ca 0.17 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3g4s n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g4s n SER 71 N 0.25 0.00 -4.90 1.61 3.41 -1.26 -5.03 113.62 107.70 3g4s n SER 71 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 3g4s n SER 71 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3g4s n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g4s s ALA 72 N -3.98 3.87 -1.01 7.33 0.00 -1.20 -4.80 121.76 121.97 3g4s s ALA 72 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3g4s s ALA 72 Cb 0.00 -2.03 0.20 0.00 0.00 0.00 0.00 23.12 21.29 3g4s s ALA 72 CO 0.00 0.72 2.25 0.54 0.00 0.00 0.00 175.76 179.26 3g4s n ARG 73 N 0.27 4.20 -3.18 0.00 3.00 -1.26 -4.91 116.66 114.78 3g4s n ARG 73 Ca -0.04 -3.62 -0.39 0.00 -0.01 0.00 0.00 57.85 53.79 3g4s n ARG 73 Cb 0.52 -2.44 -0.05 0.00 0.00 0.00 0.00 32.46 30.48 3g4s n ARG 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3g4s s LYS 74 N -2.61 4.39 0.00 5.56 2.20 -1.26 -5.09 119.74 122.93 3g4s s LYS 74 Ca 0.50 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 3g4s s LYS 74 Cb 0.26 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3g4s s LYS 74 CO -0.17 0.12 0.00 2.89 -0.36 0.00 0.00 175.35 177.83 3g4s n ARG 75 N 3.69 1.30 -3.42 4.03 1.85 -1.26 -4.62 116.66 118.23 3g4s n ARG 75 Ca -0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.60 3g4s n ARG 75 Cb 0.51 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.92 3g4s n ARG 75 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3g4s n ARG 76 N 0.00 0.87 -3.29 2.89 0.63 -1.26 -4.53 116.66 111.96 3g4s n ARG 76 Ca 0.00 -2.73 -0.39 0.00 -0.92 0.00 0.00 57.85 53.80 3g4s n ARG 76 Cb 0.00 0.34 -0.07 0.00 0.45 0.00 0.00 32.46 33.18 3g4s n ARG 76 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3g4s s HIS 77 N -2.18 3.32 -0.12 -0.14 -3.43 -1.26 -4.97 115.29 106.51 3g4s s HIS 77 Ca 0.22 0.65 -0.16 0.00 -0.80 0.00 0.00 55.06 54.97 3g4s s HIS 77 Cb -0.02 -2.64 -0.14 0.00 -1.43 0.00 0.00 32.58 28.35 3g4s s HIS 77 CO 0.14 -0.15 0.42 0.87 -2.00 0.00 0.00 174.74 174.02 3g4s h LYS 78 N 7.70 -0.00 -6.61 -0.38 1.57 -1.99 -3.47 116.57 113.39 3g4s h LYS 78 Ca -0.32 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.96 3g4s h LYS 78 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.47 3g4s h LYS 78 CO 0.72 0.53 -0.09 0.00 -0.57 0.00 0.00 179.45 180.04 3g4s s ALA 79 N -2.39 3.58 -0.46 3.86 0.00 -1.26 -4.96 121.76 120.12 3g4s s ALA 79 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 3g4s s ALA 79 Cb -0.02 -2.33 -0.11 0.00 0.00 0.00 0.00 23.12 20.67 3g4s s ALA 79 CO 0.37 0.03 1.48 0.41 0.00 0.00 0.00 175.76 178.05 3g4s n GLY 80 N -1.47 -0.20 3.62 0.00 0.00 -1.26 -4.94 105.19 100.95 3g4s n GLY 80 Ca -0.02 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3g4s n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s s ARG 81 N 6.51 3.95 1.10 1.61 3.00 -1.26 -5.10 118.95 128.77 3g4s s ARG 81 Ca 0.36 -0.36 -0.16 0.00 0.00 0.00 0.00 55.73 55.57 3g4s s ARG 81 Cb -0.02 -3.19 0.21 0.00 0.00 0.00 0.00 34.95 31.94 3g4s s ARG 81 CO 0.09 0.26 0.41 2.89 0.00 0.00 0.00 175.30 178.95 3g4s n ARG 82 N 3.55 -2.69 -0.37 3.54 1.85 -1.26 -4.72 116.66 116.56 3g4s n ARG 82 Ca -0.17 -0.80 0.02 0.00 -1.00 0.00 0.00 57.85 55.91 3g4s n ARG 82 Cb 0.52 -1.58 0.16 0.00 -1.05 0.00 0.00 32.46 30.51 3g4s n ARG 82 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3g4s h SER 83 N -2.81 1.05 0.09 2.89 4.64 -1.99 -2.39 113.55 115.02 3g4s h SER 83 Ca -0.30 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 3g4s h SER 83 Cb 0.92 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3g4s h SER 83 CO 0.19 0.68 -0.39 0.50 -0.87 0.00 0.00 176.83 176.94 3g4s h LYS 84 N 1.20 0.40 -1.95 4.77 3.11 -2.05 -3.19 116.57 118.86 3g4s h LYS 84 Ca 0.42 -0.19 -0.75 0.00 -2.81 0.00 0.00 60.65 57.32 3g4s h LYS 84 Cb 0.12 -0.00 -0.29 0.00 -1.00 0.00 0.00 32.23 31.05 3g4s h LYS 84 CO -0.16 0.74 0.81 0.54 -2.81 0.00 0.00 179.45 178.56 3g4s n ARG 85 N -4.03 3.01 0.00 1.90 5.12 -0.91 -4.44 116.66 117.31 3g4s n ARG 85 Ca -0.01 -3.74 0.00 0.00 -1.93 0.00 0.00 57.85 52.17 3g4s n ARG 85 Cb 0.49 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 3g4s n ARG 85 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3g4s n GLN 86 N -0.50 0.60 -2.44 5.56 6.02 -1.18 -4.50 117.38 120.95 3g4s n GLN 86 Ca 0.51 -0.65 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 3g4s n GLN 86 Cb 0.29 -0.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.89 3g4s n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3g4s s GLY 87 N -0.22 1.91 -0.27 1.08 0.00 -1.26 -4.92 107.32 103.64 3g4s s GLY 87 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.13 3g4s s GLY 87 CO 0.00 2.33 -0.33 -0.62 0.00 0.00 0.00 173.10 174.49 3g4s n VAL 88 N 4.92 1.53 0.42 1.40 0.31 -1.26 -4.67 118.33 120.98 3g4s n VAL 88 Ca 0.12 -0.32 0.08 0.00 -0.01 0.00 0.00 64.34 64.21 3g4s n VAL 88 Cb 0.46 -1.93 -0.10 0.00 -0.91 0.00 0.00 33.84 31.35 3g4s n VAL 88 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3g4s n THR 89 N -4.28 0.00 1.13 2.52 -1.04 -1.26 -4.29 114.28 107.06 3g4s n THR 89 Ca -0.50 -0.23 0.13 0.00 -2.04 0.00 0.00 64.05 61.41 3g4s n THR 89 Cb 0.84 0.62 0.43 0.00 -1.82 0.00 0.00 70.33 70.41 3g4s n THR 89 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3g4s n ARG 90 N -1.67 0.28 -4.10 -2.82 1.74 -1.26 -4.87 116.66 103.95 3g4s n ARG 90 Ca 0.00 -0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 3g4s n ARG 90 Cb 0.32 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.19 3g4s n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g4s s ILE 91 N -2.81 4.37 0.24 0.55 1.01 -1.26 -5.10 121.20 118.21 3g4s s ILE 91 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3g4s s ILE 91 Cb 0.19 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3g4s s ILE 91 CO 0.58 0.17 0.03 0.35 0.00 0.00 0.00 174.94 176.08 3g4s n THR 92 N 0.66 0.00 -3.15 2.92 -2.24 -1.26 -3.21 114.28 108.00 3g4s n THR 92 Ca -0.10 -1.12 -0.21 0.00 -2.27 0.00 0.00 64.05 60.35 3g4s n THR 92 Cb 0.52 0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.96 3g4s n THR 92 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g4s n ARG 93 N -0.68 0.60 -0.09 -0.78 5.12 -1.26 -4.82 116.66 114.76 3g4s n ARG 93 Ca -0.09 -3.27 0.10 0.00 -1.93 0.00 0.00 57.85 52.66 3g4s n ARG 93 Cb 0.30 -0.17 0.13 0.00 -1.16 0.00 0.00 32.46 31.56 3g4s n ARG 93 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g4s n ARG 94 N -2.25 2.00 -4.60 5.56 1.74 -1.26 -4.88 116.66 112.97 3g4s n ARG 94 Ca 0.15 -1.88 -0.31 0.00 -0.77 0.00 0.00 57.85 55.03 3g4s n ARG 94 Cb 0.62 -1.40 -0.17 0.00 -1.02 0.00 0.00 32.46 30.50 3g4s n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3g4s s LYS 95 N -1.44 2.76 0.64 5.56 1.02 -1.26 -4.95 119.74 122.06 3g4s s LYS 95 Ca 0.28 -0.76 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 3g4s s LYS 95 Cb 0.18 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 3g4s s LYS 95 CO 0.25 -0.03 1.06 0.16 -0.92 0.00 0.00 175.35 175.87 3g4s s ASP 96 N 0.87 5.56 0.55 2.83 -4.77 -1.26 -4.90 116.67 115.54 3g4s s ASP 96 Ca -0.07 1.76 0.35 0.00 -3.30 0.00 0.00 52.55 51.30 3g4s s ASP 96 Cb -0.15 -2.52 1.53 0.00 -1.09 0.00 0.00 42.92 40.68 3g4s s ASP 96 CO -0.02 -1.32 1.81 0.40 0.70 0.00 0.00 175.17 176.75 3g4s h ILE 97 N -0.02 0.42 -0.08 2.11 2.04 -1.97 0.56 117.51 120.57 3g4s h ILE 97 Ca -0.46 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 3g4s h ILE 97 Cb 1.22 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3g4s h ILE 97 CO 0.57 0.00 -0.38 -0.61 0.00 0.00 0.00 178.15 177.73 3g4s h GLN 98 N 0.00 0.16 -0.02 2.37 4.15 -1.99 -1.81 115.11 117.98 3g4s h GLN 98 Ca 0.52 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.69 3g4s h GLN 98 Cb 2.13 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.80 3g4s h GLN 98 CO -0.01 0.52 -0.80 0.00 -1.93 0.00 0.00 178.83 176.62 3g4s h ARG 99 N 0.14 0.19 -0.27 1.69 3.08 -1.24 -1.95 114.38 116.02 3g4s h ARG 99 Ca 0.02 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 3g4s h ARG 99 Cb 0.73 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3g4s h ARG 99 CO 0.06 0.89 -0.20 0.28 -1.07 0.00 0.00 179.97 179.93 3g4s h VAL 100 N 0.12 1.30 -0.66 2.04 2.07 -1.48 -2.35 116.25 117.29 3g4s h VAL 100 Ca -0.03 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.22 3g4s h VAL 100 Cb 1.39 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 3g4s h VAL 100 CO 0.12 0.42 0.36 0.00 0.02 0.00 0.00 177.57 178.49 3g4s h ALA 101 N 0.71 0.88 -0.19 1.67 0.00 -1.23 0.12 119.26 121.22 3g4s h ALA 101 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3g4s h ALA 101 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3g4s h ALA 101 CO 0.05 0.03 -0.37 0.93 0.00 0.00 0.00 179.25 179.89 3g4s h GLU 102 N 0.67 0.41 -0.05 0.00 5.08 -1.29 -2.33 114.58 117.07 3g4s h GLU 102 Ca 0.29 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 3g4s h GLU 102 Cb 0.19 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3g4s h GLU 102 CO -0.18 0.73 -0.44 0.93 -1.00 0.00 0.00 179.01 179.05 3g4s h GLU 103 N 0.35 0.38 -0.38 2.33 5.08 -0.76 -1.85 114.58 119.73 3g4s h GLU 103 Ca 0.04 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3g4s h GLU 103 Cb 0.81 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3g4s h GLU 103 CO 0.07 1.00 0.22 0.00 -1.00 0.00 0.00 179.01 179.30 3g4s h ARG 104 N -0.12 0.50 0.00 2.33 3.08 -0.77 -1.47 114.38 117.94 3g4s h ARG 104 Ca -0.04 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 3g4s h ARG 104 Cb 1.12 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3g4s h ARG 104 CO 0.09 0.36 -0.86 0.00 -1.07 0.00 0.00 179.97 178.48 3g4s h ALA 105 N 1.73 0.55 0.00 0.04 0.00 -1.41 -2.70 119.26 117.47 3g4s h ALA 105 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3g4s h ALA 105 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g4s h ALA 105 CO -0.03 0.95 -0.06 1.03 0.00 0.00 0.00 179.25 181.14 3g4s h SER 106 N 0.08 0.00 1.10 0.00 0.87 -0.42 -3.05 113.55 112.13 3g4s h SER 106 Ca -0.04 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.41 3g4s h SER 106 Cb 1.49 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 3g4s h SER 106 CO 0.13 0.00 -0.95 0.03 -0.53 0.00 0.00 176.83 175.51 3g4s h ARG 107 N 0.00 0.00 0.00 2.24 3.08 -1.30 -3.21 114.38 115.19 3g4s h ARG 107 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3g4s h ARG 107 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3g4s h ARG 107 CO 0.00 0.31 -0.32 1.15 -1.07 0.00 0.00 179.97 180.04 3g4s h THR 108 N 0.00 0.68 -2.44 2.04 2.02 -1.42 -3.32 112.91 110.46 3g4s h THR 108 Ca -0.07 -1.50 -0.60 0.00 0.77 0.00 0.00 66.41 65.01 3g4s h THR 108 Cb 1.40 1.99 -0.41 0.00 -1.74 0.00 0.00 68.15 69.39 3g4s h THR 108 CO 0.04 0.31 -0.73 0.49 0.37 0.00 0.00 175.52 176.01 3g4s n PHE 109 N -3.36 2.17 0.00 3.16 3.01 -1.16 -4.99 117.46 116.30 3g4s n PHE 109 Ca 0.01 -3.98 0.00 0.00 1.01 0.00 0.00 57.45 54.49 3g4s n PHE 109 Cb 0.53 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3g4s n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3g4s n PRO 110 N 1.54 0.00 0.00 -1.08 -0.04 -1.22 -2.07 135.00 132.14 3g4s n PRO 110 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3g4s n PRO 110 Cb 0.42 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 3g4s n PRO 110 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3g4s n ASN 111 N -0.59 2.99 -4.83 3.54 6.94 -1.26 -5.05 115.26 117.00 3g4s n ASN 111 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.19 3g4s n ASN 111 Cb 0.00 0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.86 3g4s n ASN 111 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3g4s s LEU 112 N -2.13 4.41 0.04 -4.53 1.43 -0.88 -4.44 118.68 112.59 3g4s s LEU 112 Ca 0.00 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 3g4s s LEU 112 Cb 0.00 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 3g4s s LEU 112 CO 0.00 0.17 0.14 -0.13 0.23 0.00 0.00 176.35 176.76 3g4s s ARG 113 N -1.64 3.20 0.06 1.70 0.52 -0.09 -4.86 118.95 117.84 3g4s s ARG 113 Ca 0.34 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 3g4s s ARG 113 Cb -0.17 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.33 3g4s s ARG 113 CO 0.19 0.61 1.13 0.08 0.02 0.00 0.00 175.30 177.33 3g4s s VAL 114 N -1.39 4.24 -0.15 3.52 1.01 -1.26 -0.81 120.40 125.56 3g4s s VAL 114 Ca 0.30 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.80 3g4s s VAL 114 Cb -0.13 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3g4s s VAL 114 CO 0.22 0.15 -0.23 -0.11 0.00 0.00 0.00 175.10 175.13 3g4s n LEU 115 N 3.73 1.76 -3.81 3.92 -0.00 -0.21 -4.89 117.00 117.51 3g4s n LEU 115 Ca 0.07 0.50 -0.01 0.00 -0.00 0.00 0.00 56.01 56.58 3g4s n LEU 115 Cb 0.48 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 3g4s n LEU 115 CO 0.54 -0.40 0.89 0.21 -0.00 0.00 0.00 177.39 178.63 3g4s s ASN 116 N -5.69 -0.06 0.25 1.96 3.84 -1.21 -4.67 114.94 109.36 3g4s s ASN 116 Ca -0.19 -0.41 -0.06 0.00 0.21 0.00 0.00 52.86 52.41 3g4s s ASN 116 Cb 0.03 0.37 -0.02 0.00 -0.55 0.00 0.00 41.25 41.08 3g4s s ASN 116 CO 0.28 -0.71 0.34 -0.94 -2.79 0.00 0.00 177.10 173.28 3g4s s SER 117 N -3.25 0.26 0.19 -4.21 1.04 -1.26 -0.71 113.70 105.77 3g4s s SER 117 Ca 0.19 -1.24 -0.20 0.00 0.48 0.00 0.00 55.95 55.17 3g4s s SER 117 Cb -0.00 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.68 3g4s s SER 117 CO 0.02 -1.05 0.58 -0.72 0.98 0.00 0.00 173.24 173.05 3g4s s TYR 118 N -3.88 -0.31 0.11 5.02 -0.85 -0.86 -5.00 117.35 111.59 3g4s s TYR 118 Ca 0.31 -0.00 -0.24 0.00 -0.52 0.00 0.00 57.07 56.61 3g4s s TYR 118 Cb 0.02 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.80 3g4s s TYR 118 CO 0.13 -0.94 0.75 0.45 -1.52 0.00 0.00 175.55 174.42 3g4s s SER 119 N -2.83 7.29 -0.21 -0.18 0.15 -1.26 -0.86 113.70 115.79 3g4s s SER 119 Ca 0.06 1.53 0.11 0.00 0.70 0.00 0.00 55.95 58.34 3g4s s SER 119 Cb -0.02 -2.47 0.42 0.00 -1.71 0.00 0.00 66.02 62.24 3g4s s SER 119 CO -0.06 0.15 1.22 1.33 1.20 0.00 0.00 173.24 177.08 3g4s n VAL 120 N 2.05 2.21 0.00 4.45 0.24 -0.76 -4.86 118.33 121.66 3g4s n VAL 120 Ca -0.05 -3.30 0.00 0.00 -2.04 0.00 0.00 64.34 58.95 3g4s n VAL 120 Cb 0.49 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 3g4s n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g4s n GLY 121 N -1.07 -2.07 3.57 7.63 0.00 -1.25 -4.86 105.19 107.14 3g4s n GLY 121 Ca 0.21 -2.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 3g4s n GLY 121 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3g4s s GLN 122 N -0.46 0.51 0.20 1.61 -2.07 -1.26 -1.58 119.66 116.62 3g4s s GLN 122 Ca 0.00 -0.04 0.01 0.00 -1.82 0.00 0.00 55.36 53.51 3g4s s GLN 122 Cb 0.00 0.24 -0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3g4s s GLN 122 CO 0.00 -0.19 0.05 -0.40 -1.32 0.00 0.00 175.29 173.43 3g4s n ASP 123 N 0.27 1.51 0.23 12.60 5.75 -0.82 -5.03 116.55 131.06 3g4s n ASP 123 Ca -0.06 -2.03 0.18 0.00 -0.01 0.00 0.00 54.79 52.87 3g4s n ASP 123 Cb 0.59 0.40 0.87 0.00 -1.03 0.00 0.00 41.12 41.95 3g4s n ASP 123 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3g4s h GLY 124 N 0.71 0.00 -0.17 6.12 0.00 -2.04 -3.18 103.07 104.51 3g4s h GLY 124 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3g4s h GLY 124 CO 0.26 0.00 -0.16 -0.96 0.00 0.00 0.00 176.54 175.68 3g4s n ARG 125 N -3.63 3.32 -3.60 4.80 1.85 -1.26 -4.87 116.66 113.27 3g4s n ARG 125 Ca 0.01 -0.31 -0.11 0.00 -1.00 0.00 0.00 57.85 56.45 3g4s n ARG 125 Cb 0.30 -0.88 -0.03 0.00 -1.05 0.00 0.00 32.46 30.80 3g4s n ARG 125 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 3g4s s GLN 126 N -1.13 1.25 -0.08 2.89 -2.07 -1.20 -2.22 119.66 117.09 3g4s s GLN 126 Ca 0.04 -0.68 0.04 0.00 -1.82 0.00 0.00 55.36 52.93 3g4s s GLN 126 Cb 0.04 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 3g4s s GLN 126 CO 0.16 -0.53 -0.21 0.15 -1.32 0.00 0.00 175.29 173.55 3g4s s LYS 127 N -3.81 2.58 -0.08 9.60 1.02 -0.08 -1.95 119.74 127.01 3g4s s LYS 127 Ca 0.04 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 3g4s s LYS 127 Cb -0.00 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3g4s s LYS 127 CO -0.09 0.16 0.05 -1.58 -0.92 0.00 0.00 175.35 172.97 3g4s s TRP 128 N 0.37 3.29 -0.02 3.18 0.51 -0.61 -1.98 118.94 123.69 3g4s s TRP 128 Ca -0.16 0.28 -0.02 0.00 -2.12 0.00 0.00 56.10 54.08 3g4s s TRP 128 Cb -0.17 -1.82 0.00 0.00 -0.81 0.00 0.00 33.47 30.68 3g4s s TRP 128 CO 0.07 0.55 0.05 -1.01 -0.51 0.00 0.00 176.95 176.10 3g4s s HIS 129 N -0.97 -0.04 -0.18 -1.98 3.76 -0.82 -1.83 115.29 113.23 3g4s s HIS 129 Ca 0.15 0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 55.11 3g4s s HIS 129 Cb -0.12 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 3g4s s HIS 129 CO 0.05 -0.05 0.00 -1.21 -0.85 0.00 0.00 174.74 172.68 3g4s s GLU 130 N -0.10 3.75 -0.17 1.40 2.02 -0.04 -0.49 118.70 125.06 3g4s s GLU 130 Ca -0.01 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 3g4s s GLU 130 Cb -0.01 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 3g4s s GLU 130 CO 0.00 0.19 -0.08 0.08 0.02 0.00 0.00 175.26 175.47 3g4s s VAL 131 N 0.54 3.34 -0.09 2.63 1.01 0.11 -2.02 120.40 125.91 3g4s s VAL 131 Ca -0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3g4s s VAL 131 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3g4s s VAL 131 CO 0.02 0.48 0.76 -0.63 0.00 0.00 0.00 175.10 175.73 3g4s s ILE 132 N 0.82 4.98 0.11 2.22 1.01 0.11 -1.73 121.20 128.73 3g4s s ILE 132 Ca -0.03 1.54 0.09 0.00 0.00 0.00 0.00 60.65 62.25 3g4s s ILE 132 Cb -0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3g4s s ILE 132 CO 0.01 0.18 -0.22 -0.76 0.00 0.00 0.00 174.94 174.15 3g4s s LEU 133 N 1.24 2.31 0.03 2.97 1.02 0.33 -1.04 118.68 125.53 3g4s s LEU 133 Ca 0.39 -0.70 0.06 0.00 0.02 0.00 0.00 54.13 53.90 3g4s s LEU 133 Cb -0.18 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.07 3g4s s LEU 133 CO 0.17 0.07 -0.19 -0.63 0.02 0.00 0.00 176.35 175.80 3g4s s ILE 134 N -1.18 1.50 -0.40 -0.59 -1.09 0.01 -0.26 121.20 119.18 3g4s s ILE 134 Ca 0.08 -1.07 -0.20 0.00 -2.23 0.00 0.00 60.65 57.23 3g4s s ILE 134 Cb -0.10 -1.30 0.01 0.00 -1.58 0.00 0.00 42.46 39.49 3g4s s ILE 134 CO 0.05 0.20 0.62 -0.62 -1.23 0.00 0.00 174.94 173.96 3g4s s ASP 135 N -1.01 6.35 0.47 3.58 -1.08 -0.43 -0.91 116.67 123.65 3g4s s ASP 135 Ca 0.06 -0.15 0.25 0.00 -0.52 0.00 0.00 52.55 52.19 3g4s s ASP 135 Cb -0.08 -2.31 1.13 0.00 -1.46 0.00 0.00 42.92 40.20 3g4s s ASP 135 CO 0.01 -0.67 1.92 1.55 0.52 0.00 0.00 175.17 178.50 3g4s h PRO 136 N 8.68 0.00 -0.00 4.34 0.13 -1.85 -3.18 132.00 140.12 3g4s h PRO 136 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3g4s h PRO 136 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3g4s h PRO 136 CO 0.85 0.19 -0.45 0.09 -0.23 0.00 0.00 178.00 178.45 3g4s n ASN 137 N -3.50 0.59 -4.69 1.44 3.02 -1.26 -4.64 115.26 106.22 3g4s n ASN 137 Ca -0.01 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 3g4s n ASN 137 Cb 0.35 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3g4s n ASN 137 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3g4s s HIS 138 N -2.91 3.40 -0.19 3.10 2.46 -1.20 -4.92 115.29 115.03 3g4s s HIS 138 Ca 0.13 1.43 0.22 0.00 0.47 0.00 0.00 55.06 57.31 3g4s s HIS 138 Cb 0.18 -3.30 1.18 0.00 -0.13 0.00 0.00 32.58 30.51 3g4s s HIS 138 CO 0.67 -0.74 1.66 -0.35 -2.47 0.00 0.00 174.74 173.51 3g4s n PRO 139 N 4.80 0.14 0.24 2.88 -0.04 -1.26 -1.01 135.00 140.75 3g4s n PRO 139 Ca 0.09 0.64 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 3g4s n PRO 139 Cb 0.48 -1.97 0.56 0.00 -0.04 0.00 0.00 33.50 32.53 3g4s n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g4s h ALA 140 N 1.99 1.07 0.00 0.55 0.00 -1.91 -3.04 119.26 117.91 3g4s h ALA 140 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 3g4s h ALA 140 Cb 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3g4s h ALA 140 CO 0.00 0.21 -1.89 -0.89 0.00 0.00 0.00 179.25 176.68 3g4s n ILE 141 N -3.39 0.86 0.28 0.00 -0.00 -0.18 -4.43 119.36 112.51 3g4s n ILE 141 Ca -0.00 -0.55 0.13 0.00 -0.00 0.00 0.00 62.75 62.33 3g4s n ILE 141 Cb 0.37 -0.62 0.81 0.00 -0.00 0.00 0.00 39.64 40.20 3g4s n ILE 141 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3g4s h GLN 142 N 0.00 0.00 -0.40 0.38 4.20 -1.23 -2.17 115.11 115.89 3g4s h GLN 142 Ca -0.34 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.11 3g4s h GLN 142 Cb 1.76 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 29.37 3g4s h GLN 142 CO 0.02 0.04 -0.34 0.09 -0.67 0.00 0.00 178.83 177.97 3g4s n ASN 143 N -3.93 3.21 -4.44 1.46 3.02 -1.16 -4.88 115.26 108.54 3g4s n ASN 143 Ca -0.03 -3.82 -0.37 0.00 -0.03 0.00 0.00 54.58 50.33 3g4s n ASN 143 Cb 0.13 -0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 38.62 3g4s n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g4s s ASP 144 N -2.98 5.27 0.10 6.41 -1.08 -0.82 -4.98 116.67 118.60 3g4s s ASP 144 Ca 0.46 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 52.34 3g4s s ASP 144 Cb 0.40 -1.95 0.68 0.00 -1.46 0.00 0.00 42.92 40.60 3g4s s ASP 144 CO -0.01 -0.08 1.48 0.47 0.52 0.00 0.00 175.17 177.55 3g4s n ASP 145 N 4.94 0.25 -0.19 -0.34 8.00 -1.26 -0.46 116.55 127.48 3g4s n ASP 145 Ca -0.15 0.57 0.04 0.00 0.71 0.00 0.00 54.79 55.96 3g4s n ASP 145 Cb 0.51 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3g4s n ASP 145 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3g4s n ASP 146 N -1.78 1.11 0.00 -2.24 8.00 -1.26 -4.75 116.55 115.62 3g4s n ASP 146 Ca 0.02 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3g4s n ASP 146 Cb 0.15 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3g4s n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g4s n LEU 147 N -0.28 0.00 0.00 0.64 4.77 -0.99 -4.91 117.00 116.23 3g4s n LEU 147 Ca 0.03 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.10 3g4s n LEU 147 Cb 0.18 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.78 3g4s n LEU 147 CO 0.10 0.03 0.74 -1.54 -1.33 0.00 0.00 177.39 175.40 3g4s n SER 148 N 0.00 0.00 0.09 -1.43 3.41 0.39 -3.07 113.62 113.01 3g4s n SER 148 Ca 0.00 -0.89 -0.07 0.00 -0.26 0.00 0.00 58.87 57.65 3g4s n SER 148 Cb 0.26 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3g4s n SER 148 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3g4s h TRP 149 N 0.00 0.20 0.00 7.33 5.08 -1.90 -3.18 115.95 123.47 3g4s h TRP 149 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 58.89 59.86 3g4s h TRP 149 Cb 0.00 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.14 3g4s h TRP 149 CO 0.00 0.90 0.00 1.51 -1.28 0.00 0.00 178.44 179.57 3g4s n ILE 150 N -3.65 0.27 0.93 0.12 3.06 -1.18 -2.53 119.36 116.38 3g4s n ILE 150 Ca -0.03 0.07 0.12 0.00 -2.50 0.00 0.00 62.75 60.41 3g4s n ILE 150 Cb 0.78 -0.77 0.23 0.00 0.54 0.00 0.00 39.64 40.42 3g4s n ILE 150 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3g4s s ALA 152 N -1.85 3.33 0.35 0.00 0.00 -1.05 -4.96 121.76 117.59 3g4s s ALA 152 Ca 0.33 0.54 0.12 0.00 0.00 0.00 0.00 51.96 52.95 3g4s s ALA 152 Cb 0.21 -3.15 0.92 0.00 0.00 0.00 0.00 23.12 21.11 3g4s s ALA 152 CO 0.31 0.22 1.78 -0.44 0.00 0.00 0.00 175.76 177.63 3g4s h ASP 153 N 3.94 0.61 0.43 0.00 3.32 -1.92 0.23 116.42 123.03 3g4s h ASP 153 Ca -0.46 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3g4s h ASP 153 Cb 1.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3g4s h ASP 153 CO 0.67 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.47 3g4s n ASP 154 N -4.69 0.00 -1.21 6.45 5.75 -1.26 -2.29 116.55 119.29 3g4s n ASP 154 Ca 0.24 0.07 0.12 0.00 -0.01 0.00 0.00 54.79 55.20 3g4s n ASP 154 Cb 0.70 -0.32 0.25 0.00 -1.03 0.00 0.00 41.12 40.73 3g4s n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g4s n GLN 155 N -1.32 2.58 -2.16 0.11 1.13 0.07 -4.93 117.38 112.86 3g4s n GLN 155 Ca 0.09 -2.42 -0.42 0.00 -1.94 0.00 0.00 57.00 52.31 3g4s n GLN 155 Cb 0.17 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 3g4s n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3g4s s ALA 156 N -1.30 3.60 -1.45 -1.58 0.00 -0.97 -2.86 121.76 117.20 3g4s s ALA 156 Ca 0.42 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 3g4s s ALA 156 Cb 0.23 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3g4s s ALA 156 CO 0.32 -0.79 0.25 -0.25 0.00 0.00 0.00 175.76 175.29 3g4s n ASP 157 N 4.70 -5.38 0.29 0.00 8.00 -1.26 -4.91 116.55 117.99 3g4s n ASP 157 Ca 0.13 -0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.63 3g4s n ASP 157 Cb 0.43 -4.34 0.68 0.00 -0.02 0.00 0.00 41.12 37.87 3g4s n ASP 157 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3g4s h ARG 158 N -0.57 0.00 0.08 -1.24 0.11 -1.89 -2.06 114.38 108.82 3g4s h ARG 158 Ca -0.44 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.50 3g4s h ARG 158 Cb 1.32 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.41 3g4s h ARG 158 CO 0.50 0.00 -0.59 -0.24 0.10 0.00 0.00 179.97 179.74 3g4s h VAL 159 N 0.00 1.56 0.00 0.08 3.04 -1.90 -0.51 116.25 118.52 3g4s h VAL 159 Ca 0.00 -2.39 -0.00 0.00 -1.01 0.00 0.00 66.70 63.30 3g4s h VAL 159 Cb 0.66 3.12 -0.00 0.00 -2.01 0.00 0.00 31.29 33.06 3g4s h VAL 159 CO 0.00 0.67 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.95 3g4s h PHE 160 N -0.46 0.00 -0.18 3.17 -1.00 -1.77 0.92 116.94 117.63 3g4s h PHE 160 Ca -0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3g4s h PHE 160 Cb 1.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.99 3g4s h PHE 160 CO 0.20 0.02 0.00 0.54 -1.61 0.00 0.00 178.31 177.46 3g4s n ARG 161 N -3.36 2.37 -1.47 1.51 1.74 -1.19 -4.97 116.66 111.29 3g4s n ARG 161 Ca -0.02 -2.03 -0.07 0.00 -0.77 0.00 0.00 57.85 54.95 3g4s n ARG 161 Cb 0.12 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 3g4s n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 162 N 1.41 0.69 0.86 -0.13 0.00 0.32 -4.93 105.19 103.40 3g4s n GLY 162 Ca 0.16 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.53 3g4s n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g4s n LEU 163 N -0.87 2.37 -4.92 0.99 4.77 -0.20 -3.38 117.00 115.75 3g4s n LEU 163 Ca -0.08 -1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 54.45 3g4s n LEU 163 Cb 0.33 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3g4s n LEU 163 CO 0.11 0.39 0.49 -0.89 -1.33 0.00 0.00 177.39 176.16 3g4s s THR 164 N -1.66 3.70 0.29 -5.08 2.01 -1.24 -4.90 115.64 108.77 3g4s s THR 164 Ca 0.20 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.19 3g4s s THR 164 Cb 0.14 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.23 3g4s s THR 164 CO 0.09 -0.44 1.69 1.23 -0.69 0.00 0.00 174.62 176.49 3g4s h GLY 165 N -0.08 0.30 2.00 4.40 0.00 -1.90 -0.10 103.07 107.68 3g4s h GLY 165 Ca -0.45 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.47 3g4s h GLY 165 CO 0.60 0.26 -0.61 0.00 0.00 0.00 0.00 176.54 176.79 3g4s h ALA 166 N 1.35 0.83 0.09 3.60 0.00 -1.94 -3.01 119.26 120.18 3g4s h ALA 166 Ca 0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3g4s h ALA 166 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3g4s h ALA 166 CO 0.07 0.76 -0.04 0.78 0.00 0.00 0.00 179.25 180.81 3g4s h GLY 167 N 2.33 -0.13 2.00 0.00 0.00 -1.56 -2.99 103.07 102.72 3g4s h GLY 167 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3g4s h GLY 167 CO 0.08 -0.05 -0.14 3.21 0.00 0.00 0.00 176.54 179.64 3g4s h ARG 168 N -0.66 0.00 -0.06 4.80 3.08 -1.06 -1.14 114.38 119.34 3g4s h ARG 168 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3g4s h ARG 168 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3g4s h ARG 168 CO 0.02 0.14 -0.73 0.00 -1.07 0.00 0.00 179.97 178.33 3g4s h ARG 169 N 0.00 0.33 0.00 0.04 3.08 -1.55 -1.90 114.38 114.38 3g4s h ARG 169 Ca -0.00 -0.27 -0.18 0.00 0.07 0.00 0.00 59.98 59.59 3g4s h ARG 169 Cb 0.29 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3g4s h ARG 169 CO 0.02 0.92 -0.87 -0.97 -1.07 0.00 0.00 179.97 178.00 3g4s h ASN 170 N 0.22 0.00 0.36 7.04 -1.24 -1.24 -3.15 115.58 117.57 3g4s h ASN 170 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3g4s h ASN 170 Cb 1.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.35 3g4s h ASN 170 CO 0.12 0.86 0.00 0.54 -1.29 0.00 0.00 177.43 177.66 3g4s n ARG 171 N -3.31 0.37 -2.54 6.67 1.74 -0.49 -4.89 116.66 114.20 3g4s n ARG 171 Ca 0.00 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 3g4s n ARG 171 Cb 0.88 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.83 3g4s n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4s n GLY 172 N 0.57 0.51 1.09 -0.13 0.00 -1.16 -4.85 105.19 101.22 3g4s n GLY 172 Ca 0.11 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3g4s n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g4s n LEU 173 N -1.22 3.83 0.00 0.99 4.77 -0.73 -4.64 117.00 120.01 3g4s n LEU 173 Ca -0.01 -2.30 -0.13 0.00 -0.03 0.00 0.00 56.01 53.54 3g4s n LEU 173 Cb 0.52 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3g4s n LEU 173 CO 0.11 0.79 0.61 0.28 -1.33 0.00 0.00 177.39 177.86 3g4s h SER 174 N 3.01 -0.04 -3.62 -1.43 0.02 -1.87 -3.44 113.55 106.18 3g4s h SER 174 Ca 0.00 -0.46 -0.51 0.00 -0.84 0.00 0.00 61.79 59.98 3g4s h SER 174 Cb 1.11 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.67 3g4s h SER 174 CO 0.11 0.45 0.49 -0.83 -1.14 0.00 0.00 176.83 175.91 3g4s s GLY 175 N -3.16 2.87 0.11 -3.77 0.00 -1.26 -4.97 107.32 97.14 3g4s s GLY 175 Ca -0.16 0.87 0.21 0.00 0.00 0.00 0.00 44.72 45.64 3g4s s GLY 175 CO 0.65 1.65 0.83 0.28 0.00 0.00 0.00 173.10 176.51 3g4s n LYS 176 N 2.06 0.62 0.00 2.90 5.02 -1.26 -4.85 118.16 122.66 3g4s n LYS 176 Ca 0.02 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3g4s n LYS 176 Cb 0.45 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3g4s n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g4s n GLY 177 N 1.26 0.25 3.80 0.72 0.00 -1.26 -5.00 105.19 104.96 3g4s n GLY 177 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3g4s n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g4s s LYS 178 N 0.33 3.80 -1.85 1.61 2.20 -1.26 -3.96 119.74 120.61 3g4s s LYS 178 Ca 0.00 1.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 3g4s s LYS 178 Cb 0.00 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 3g4s s LYS 178 CO 0.00 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 3g4s n GLY 179 N -0.30 0.40 2.45 5.54 0.00 -1.26 -4.85 105.19 107.16 3g4s n GLY 179 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 3g4s n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g4s n SER 180 N -1.59 1.63 0.01 1.61 3.41 -1.25 -4.82 113.62 112.62 3g4s n SER 180 Ca -0.22 -2.14 -0.15 0.00 -0.26 0.00 0.00 58.87 56.10 3g4s n SER 180 Cb 0.67 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 3g4s n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3g4s h GLU 181 N 2.19 0.15 -0.00 4.33 3.07 -1.89 -3.28 114.58 119.14 3g4s h GLU 181 Ca -0.13 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 3g4s h GLU 181 Cb 1.43 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 3g4s h GLU 181 CO 0.19 0.89 -0.45 1.63 -1.40 0.00 0.00 179.01 179.87 3g4s n LYS 182 N -3.30 0.11 -0.08 2.33 4.76 -1.26 -4.35 118.16 116.38 3g4s n LYS 182 Ca -0.21 -0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.09 3g4s n LYS 182 Cb 1.04 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 32.59 3g4s n LYS 182 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3g4s n THR 183 N -1.39 1.16 -4.36 -0.18 -2.24 -1.26 -4.28 114.28 101.73 3g4s n THR 183 Ca 0.06 -0.75 -0.35 0.00 -2.27 0.00 0.00 64.05 60.75 3g4s n THR 183 Cb 0.34 -0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 3g4s n THR 183 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3g4s s ARG 184 N -2.51 3.11 0.37 -0.78 3.52 -1.24 -3.16 118.95 118.27 3g4s s ARG 184 Ca -0.09 -0.42 0.18 0.00 -0.13 0.00 0.00 55.73 55.28 3g4s s ARG 184 Cb 0.06 -2.83 0.64 0.00 -1.56 0.00 0.00 34.95 31.26 3g4s s ARG 184 CO 0.75 0.63 1.72 -1.00 -0.81 0.00 0.00 175.30 176.59 3g4s h PRO 185 N 5.41 0.00 -2.96 5.12 0.13 -1.92 -3.46 132.00 134.32 3g4s h PRO 185 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3g4s h PRO 185 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 3g4s h PRO 185 CO 0.56 0.39 0.13 -1.54 -0.23 0.00 0.00 178.00 177.31 3g4s s SER 186 N -6.46 -0.50 0.05 1.44 1.04 -1.19 -5.06 113.70 103.03 3g4s s SER 186 Ca 0.00 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 3g4s s SER 186 Cb 0.11 0.56 -0.12 0.00 0.10 0.00 0.00 66.02 66.66 3g4s s SER 186 CO 0.69 -0.88 1.40 -0.07 0.98 0.00 0.00 173.24 175.36 3g4s h LEU 187 N 2.26 0.39 -1.37 2.42 4.07 -1.80 -3.05 115.31 118.23 3g4s h LEU 187 Ca -0.33 -0.42 0.07 0.00 0.08 0.00 0.00 57.88 57.28 3g4s h LEU 187 Cb 1.27 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.86 3g4s h LEU 187 CO 0.40 0.73 0.49 -0.09 -1.08 0.00 0.00 178.44 178.89 3g4s h ARG 188 N 0.06 0.74 0.00 1.13 2.43 -1.94 0.78 114.38 117.58 3g4s h ARG 188 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3g4s h ARG 188 Cb 0.59 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3g4s h ARG 188 CO 0.03 0.49 -0.20 0.66 -1.51 0.00 0.00 179.97 179.44 3g4s h SER 189 N 0.76 0.00 -0.64 -3.80 4.64 -1.94 -2.69 113.55 109.88 3g4s h SER 189 Ca 0.32 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.53 3g4s h SER 189 Cb 0.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 3g4s h SER 189 CO -0.11 0.20 0.14 0.59 -0.87 0.00 0.00 176.83 176.78 3g4s n ASN 190 N -3.38 5.10 0.00 4.97 3.02 0.19 -4.95 115.26 120.21 3g4s n ASN 190 Ca 0.00 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 3g4s n ASN 190 Cb 0.41 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3g4s n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g4s n GLY 191 N 0.10 0.18 1.57 7.41 0.00 -1.00 -3.79 105.19 109.66 3g4s n GLY 191 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 3g4s n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 192 N -0.48 0.32 0.08 -0.02 0.00 -0.73 -4.98 105.19 99.38 3g4s n GLY 192 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.76 3g4s n GLY 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g4s n LYS 193 N -1.69 2.33 0.00 1.61 5.02 -1.25 -5.09 118.16 119.10 3g4s n LYS 193 Ca -0.05 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 3g4s n LYS 193 Cb 0.53 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3g4s n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29