#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n GLU 2 N 0.00 1.71 -3.63 2.12 0.28 -1.26 -4.79 120.64 115.06 3i8f n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 3i8f n GLU 2 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 3i8f n GLU 2 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3i8f s TYR 3 N 1.01 -1.30 -0.01 -1.84 1.51 -1.23 -5.00 117.35 110.49 3i8f s TYR 3 Ca 0.00 2.23 -0.13 0.00 -1.01 0.00 0.00 57.07 58.16 3i8f s TYR 3 Cb 0.00 0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 42.54 3i8f s TYR 3 CO 0.00 -0.66 0.37 1.03 -1.11 0.00 0.00 175.55 175.19 3i8f s ARG 4 N 2.87 3.84 -0.50 -0.62 1.81 -1.26 0.14 118.95 125.23 3i8f s ARG 4 Ca -0.05 0.33 0.06 0.00 -1.72 0.00 0.00 55.73 54.35 3i8f s ARG 4 Cb -0.12 -3.20 0.22 0.00 -0.45 0.00 0.00 34.95 31.39 3i8f s ARG 4 CO -0.18 0.69 0.82 -0.11 -0.68 0.00 0.00 175.30 175.84 3i8f n LEU 5 N 1.77 -3.14 0.00 2.53 -0.00 -1.26 -4.79 117.00 112.12 3i8f n LEU 5 Ca -0.14 -3.06 0.00 0.00 -0.00 0.00 0.00 56.01 52.81 3i8f n LEU 5 Cb 0.53 0.79 0.00 0.00 -0.00 0.00 0.00 43.42 44.74 3i8f n LEU 5 CO 0.37 1.95 0.00 0.29 -0.00 0.00 0.00 177.39 180.00 3i8f n LYS 6 N 2.29 0.00 -0.17 1.96 5.02 -1.13 -4.44 118.16 121.69 3i8f n LYS 6 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3i8f n LYS 6 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 3i8f n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8f n ALA 7 N 0.00 -0.69 -2.38 7.82 0.00 -1.26 -3.04 120.51 120.97 3i8f n ALA 7 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3i8f n ALA 7 Cb 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.25 3i8f n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i8f s TYR 8 N 0.00 2.39 1.02 0.00 4.12 -0.05 -4.14 117.35 120.70 3i8f s TYR 8 Ca 0.00 -0.37 -0.15 0.00 0.02 0.00 0.00 57.07 56.58 3i8f s TYR 8 Cb 0.00 -1.41 0.08 0.00 -1.52 0.00 0.00 41.96 39.11 3i8f s TYR 8 CO 0.00 0.17 0.35 0.66 0.02 0.00 0.00 175.55 176.75 3i8f n TYR 9 N 1.71 -1.29 -3.65 2.71 0.53 -1.26 -2.77 117.16 113.14 3i8f n TYR 9 Ca -0.17 0.19 -0.14 0.00 -1.02 0.00 0.00 57.90 56.76 3i8f n TYR 9 Cb 0.52 -1.72 -0.08 0.00 -1.03 0.00 0.00 39.34 37.04 3i8f n TYR 9 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 3i8f s ARG 10 N -3.68 0.76 0.00 -0.72 3.00 -0.76 -4.79 118.95 112.76 3i8f s ARG 10 Ca 0.58 0.76 0.00 0.00 -1.00 0.00 0.00 55.73 56.07 3i8f s ARG 10 Cb -0.18 0.37 0.00 0.00 0.00 0.00 0.00 34.95 35.14 3i8f s ARG 10 CO 0.66 -0.12 0.00 -1.91 0.00 0.00 0.00 175.30 173.94 3i8f n GLU 11 N 2.49 0.00 0.00 5.12 4.07 -1.26 -4.32 120.64 126.73 3i8f n GLU 11 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 3i8f n GLU 11 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 3i8f n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i8f n GLY 12 N 4.23 -3.08 1.85 8.31 0.00 -1.26 -4.94 105.19 110.30 3i8f n GLY 12 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3i8f n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8f n GLU 13 N 0.00 -4.97 -1.97 1.61 1.02 -1.26 -4.88 120.64 110.19 3i8f n GLU 13 Ca 0.00 3.57 -0.41 0.00 -0.02 0.00 0.00 57.16 60.30 3i8f n GLU 13 Cb 0.00 -3.83 -0.01 0.00 -0.02 0.00 0.00 31.44 27.58 3i8f n GLU 13 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3i8f s LYS 14 N -1.29 4.24 0.20 3.49 -0.14 -1.26 -4.94 119.74 120.04 3i8f s LYS 14 Ca 0.00 2.38 -0.10 0.00 -1.36 0.00 0.00 55.97 56.88 3i8f s LYS 14 Cb 0.00 -3.03 0.15 0.00 -1.68 0.00 0.00 37.83 33.27 3i8f s LYS 14 CO 0.00 -0.36 1.85 -1.35 -0.76 0.00 0.00 175.35 174.73 3i8f h PRO 15 N 3.38 1.01 0.00 -1.68 0.11 -1.98 0.89 132.00 133.72 3i8f h PRO 15 Ca -0.49 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.52 3i8f h PRO 15 Cb 1.23 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3i8f h PRO 15 CO 0.66 0.71 0.00 0.66 -0.21 0.00 0.00 178.00 179.82 3i8f h SER 16 N 1.01 0.00 0.34 -2.05 4.64 -1.98 0.36 113.55 115.87 3i8f h SER 16 Ca 0.27 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 3i8f h SER 16 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3i8f h SER 16 CO -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.75 3i8f h ALA 17 N 2.07 -0.45 0.00 5.18 0.00 -1.20 -2.60 119.26 122.26 3i8f h ALA 17 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3i8f h ALA 17 Cb 0.16 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i8f h ALA 17 CO 0.00 -0.42 -0.19 -0.07 0.00 0.00 0.00 179.25 178.57 3i8f h LEU 18 N -1.11 0.00 -0.49 0.00 4.07 -1.10 -1.66 115.31 115.03 3i8f h LEU 18 Ca -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 3i8f h LEU 18 Cb 0.35 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3i8f h LEU 18 CO 0.08 0.19 0.08 -0.09 -1.08 0.00 0.00 178.44 177.62 3i8f h ARG 19 N 0.00 0.81 0.00 1.13 9.65 -0.32 0.44 114.38 126.08 3i8f h ARG 19 Ca -0.00 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.60 3i8f h ARG 19 Cb 0.48 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 3i8f h ARG 19 CO 0.02 0.80 -0.30 0.00 2.80 0.00 0.00 179.97 183.29 3i8f h ARG 20 N 0.68 0.00 -1.23 0.20 3.08 -0.98 -2.87 114.38 113.25 3i8f h ARG 20 Ca 0.15 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.92 3i8f h ARG 20 Cb 0.39 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.29 3i8f h ARG 20 CO 0.01 0.30 0.36 0.00 -1.07 0.00 0.00 179.97 179.58 3i8f n ALA 21 N -2.27 4.49 -0.55 0.04 0.00 -0.68 -4.82 120.51 116.72 3i8f n ALA 21 Ca -0.00 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.93 3i8f n ALA 21 Cb 0.46 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i8f n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 22 N -0.01 0.00 3.28 0.00 0.00 -1.08 -4.86 105.19 102.51 3i8f n GLY 22 Ca 0.29 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 3i8f n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f s LYS 23 N -1.09 3.02 -0.23 1.61 -0.14 0.15 -0.03 119.74 123.03 3i8f s LYS 23 Ca 0.00 -2.01 -0.28 0.00 -1.36 0.00 0.00 55.97 52.32 3i8f s LYS 23 Cb 0.00 -4.21 -0.04 0.00 -1.68 0.00 0.00 37.83 31.90 3i8f s LYS 23 CO 0.00 -1.28 1.96 -1.17 -0.76 0.00 0.00 175.35 174.11 3i8f s LEU 24 N 1.00 3.63 1.01 3.17 2.96 -0.43 -3.43 118.68 126.60 3i8f s LEU 24 Ca 0.09 1.74 -0.11 0.00 -0.22 0.00 0.00 54.13 55.63 3i8f s LEU 24 Cb -0.23 -3.52 0.20 0.00 0.50 0.00 0.00 46.19 43.14 3i8f s LEU 24 CO -0.02 -1.68 1.09 -2.84 -1.32 0.00 0.00 176.35 171.58 3i8f s PRO 25 N 5.67 0.29 0.01 0.98 0.02 -1.26 -1.73 135.00 138.99 3i8f s PRO 25 Ca 0.88 1.10 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 3i8f s PRO 25 Cb -0.29 -1.68 0.03 0.00 0.02 0.00 0.00 34.50 32.58 3i8f s PRO 25 CO 0.34 -2.98 0.40 0.41 -0.33 0.00 0.00 177.00 174.84 3i8f n GLY 26 N 0.14 0.68 3.26 0.52 0.00 -1.21 -2.61 105.19 105.96 3i8f n GLY 26 Ca 0.07 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3i8f n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f s VAL 27 N -2.20 0.00 -0.15 1.61 0.11 -1.07 -0.95 120.40 117.75 3i8f s VAL 27 Ca 0.09 -0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 3i8f s VAL 27 Cb -0.00 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3i8f s VAL 27 CO 0.00 -0.01 -0.07 -0.04 -3.33 0.00 0.00 175.10 171.65 3i8f s MET 28 N 0.10 3.56 0.22 1.54 -1.94 -0.60 -1.53 119.30 120.66 3i8f s MET 28 Ca -0.01 -0.58 -0.13 0.00 -1.71 0.00 0.00 55.69 53.26 3i8f s MET 28 Cb -0.03 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 33.98 3i8f s MET 28 CO 0.01 0.20 0.46 1.52 -0.01 0.00 0.00 175.02 177.20 3i8f s TYR 29 N 0.45 0.26 0.00 -0.03 -0.85 -1.10 -0.44 117.35 115.64 3i8f s TYR 29 Ca -0.06 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 55.87 3i8f s TYR 29 Cb -0.15 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.39 3i8f s TYR 29 CO 0.03 -0.94 0.00 0.27 -1.52 0.00 0.00 175.55 173.39 3i8f n ASN 30 N -0.35 0.00 -0.05 -0.18 6.94 -1.02 0.25 115.26 120.85 3i8f n ASN 30 Ca -0.04 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.58 3i8f n ASN 30 Cb 0.62 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.14 3i8f n ASN 30 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3i8f n ARG 31 N -0.18 0.00 -0.03 -3.83 0.63 -1.26 -1.32 116.66 110.67 3i8f n ARG 31 Ca 0.00 0.23 -0.07 0.00 -0.92 0.00 0.00 57.85 57.09 3i8f n ARG 31 Cb 0.00 -0.58 -0.02 0.00 0.45 0.00 0.00 32.46 32.31 3i8f n ARG 31 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3i8f n HIS 32 N -1.73 0.00 -2.14 -0.14 -0.00 -1.26 -5.08 115.22 104.87 3i8f n HIS 32 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.50 3i8f n HIS 32 Cb 0.35 -0.31 0.10 0.00 -0.00 0.00 0.00 29.99 30.13 3i8f n HIS 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3i8f s LEU 33 N -7.22 2.76 0.00 2.41 2.96 -0.43 -5.08 118.68 114.07 3i8f s LEU 33 Ca -0.15 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3i8f s LEU 33 Cb 0.03 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.90 3i8f s LEU 33 CO 0.21 -1.92 0.00 -3.20 -1.32 0.00 0.00 176.35 170.12 3i8f n ASN 34 N -3.16 0.00 -4.06 3.68 2.85 -1.20 -2.43 115.26 110.95 3i8f n ASN 34 Ca 0.10 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.39 3i8f n ASN 34 Cb 0.60 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.48 3i8f n ASN 34 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3i8f s ARG 35 N 0.00 0.78 0.20 1.20 0.52 0.42 -4.97 118.95 117.09 3i8f s ARG 35 Ca 0.00 -0.46 -0.32 0.00 -0.52 0.00 0.00 55.73 54.43 3i8f s ARG 35 Cb 0.00 -0.74 -0.11 0.00 0.52 0.00 0.00 34.95 34.62 3i8f s ARG 35 CO 0.00 0.20 1.67 0.15 0.02 0.00 0.00 175.30 177.33 3i8f s LYS 36 N -0.54 4.15 0.00 3.54 1.02 -1.26 -1.55 119.74 125.11 3i8f s LYS 36 Ca 0.02 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.53 3i8f s LYS 36 Cb -0.05 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3i8f s LYS 36 CO 0.00 -0.70 0.00 1.33 -0.92 0.00 0.00 175.35 175.06 3i8f n VAL 37 N 3.90 0.00 0.00 3.17 0.24 -0.12 -1.84 118.33 123.68 3i8f n VAL 37 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3i8f n VAL 37 Cb 0.36 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 3i8f n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8f n TYR 38 N 0.00 0.00 -4.50 6.34 0.18 -1.11 -3.36 117.16 114.70 3i8f n TYR 38 Ca 0.00 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.52 3i8f n TYR 38 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 3i8f n TYR 38 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3i8f s VAL 39 N 0.00 2.33 -0.19 -3.48 -7.23 -0.70 -0.87 120.40 110.25 3i8f s VAL 39 Ca 0.00 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 57.72 3i8f s VAL 39 Cb 0.00 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 3i8f s VAL 39 CO 0.00 -0.21 1.23 -0.62 -0.31 0.00 0.00 175.10 175.20 3i8f s ASP 40 N -3.63 6.93 0.00 4.85 -1.08 -1.26 -1.31 116.67 121.17 3i8f s ASP 40 Ca 0.33 1.57 0.00 0.00 -0.52 0.00 0.00 52.55 53.93 3i8f s ASP 40 Cb 0.02 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 3i8f s ASP 40 CO 0.17 -0.79 0.93 -0.11 0.52 0.00 0.00 175.17 175.89 3i8f n LEU 41 N 6.71 0.00 -0.21 -1.34 0.00 0.95 -0.13 117.00 122.98 3i8f n LEU 41 Ca 0.14 0.93 -0.05 0.00 0.00 0.00 0.00 56.01 57.02 3i8f n LEU 41 Cb 0.45 -0.43 -0.05 0.00 0.00 0.00 0.00 43.42 43.39 3i8f n LEU 41 CO 0.56 -0.43 0.29 0.52 0.00 0.00 0.00 177.39 178.34 3i8f n VAL 42 N -2.59 -0.34 0.02 1.96 0.31 -1.26 -0.29 118.33 116.15 3i8f n VAL 42 Ca 0.00 1.36 -0.04 0.00 -0.01 0.00 0.00 64.34 65.66 3i8f n VAL 42 Cb 0.00 -1.70 -0.02 0.00 -0.91 0.00 0.00 33.84 31.21 3i8f n VAL 42 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i8f h GLU 43 N 0.00 -0.16 -0.95 5.55 4.39 -1.69 -2.60 114.58 119.11 3i8f h GLU 43 Ca 0.08 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.00 3i8f h GLU 43 Cb 0.20 0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 28.71 3i8f h GLU 43 CO -0.46 -0.11 -0.14 0.35 -1.16 0.00 0.00 179.01 177.49 3i8f h PHE 44 N -0.16 -0.34 -0.00 4.33 3.04 0.18 -1.36 116.94 122.63 3i8f h PHE 44 Ca -0.00 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3i8f h PHE 44 Cb 0.17 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.98 3i8f h PHE 44 CO -0.34 -0.41 -0.00 0.22 -2.02 0.00 0.00 178.31 175.76 3i8f h ASP 45 N 0.01 -0.01 -0.93 0.41 1.82 -0.27 1.13 116.42 118.57 3i8f h ASP 45 Ca 0.50 0.00 0.25 0.00 -0.39 0.00 0.00 57.03 57.39 3i8f h ASP 45 Cb 0.87 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.71 3i8f h ASP 45 CO -0.95 -0.00 0.05 0.11 -1.61 0.00 0.00 179.24 176.84 3i8f h LYS 46 N -0.00 0.05 0.51 0.28 1.57 -1.06 0.50 116.57 118.41 3i8f h LYS 46 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3i8f h LYS 46 Cb 0.00 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3i8f h LYS 46 CO -0.00 0.03 -0.25 0.28 -0.57 0.00 0.00 179.45 178.94 3i8f h VAL 47 N 0.05 0.46 -0.13 0.50 2.07 -0.34 -3.23 116.25 115.63 3i8f h VAL 47 Ca 0.56 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.79 3i8f h VAL 47 Cb 1.13 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3i8f h VAL 47 CO -0.85 0.04 -0.19 0.15 0.02 0.00 0.00 177.57 176.74 3i8f h PHE 48 N -0.84 0.23 -0.87 1.57 3.04 0.32 -1.67 116.94 118.72 3i8f h PHE 48 Ca -0.07 -0.03 0.17 0.00 3.98 0.00 0.00 57.97 62.01 3i8f h PHE 48 Cb 0.59 -0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.93 3i8f h PHE 48 CO -0.01 0.40 0.44 0.00 -2.02 0.00 0.00 178.31 177.12 3i8f h ARG 49 N 0.20 0.56 0.02 1.11 2.47 -0.11 -1.09 114.38 117.54 3i8f h ARG 49 Ca 0.04 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 3i8f h ARG 49 Cb 0.46 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 3i8f h ARG 49 CO 0.03 0.37 -0.55 1.96 0.56 0.00 0.00 179.97 182.34 3i8f h GLN 50 N 0.58 0.04 0.00 0.04 1.08 -1.55 -3.42 115.11 111.88 3i8f h GLN 50 Ca 0.49 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3i8f h GLN 50 Cb 0.76 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3i8f h GLN 50 CO -0.40 1.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.51 3i8f n ALA 51 N -2.89 -0.24 -3.29 3.87 0.00 -0.65 -4.87 120.51 112.43 3i8f n ALA 51 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 3i8f n ALA 51 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 3i8f n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i8f n SER 52 N -1.31 -6.70 -0.00 0.00 2.88 -0.44 -2.34 113.62 105.71 3i8f n SER 52 Ca 0.00 -0.25 -0.00 0.00 -1.33 0.00 0.00 58.87 57.29 3i8f n SER 52 Cb 0.00 -3.85 -0.00 0.00 -0.75 0.00 0.00 64.21 59.61 3i8f n SER 52 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i8f n ILE 53 N -1.61 0.00 -0.09 2.46 -6.64 -1.26 -4.58 119.36 107.64 3i8f n ILE 53 Ca -0.09 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.76 3i8f n ILE 53 Cb 0.57 -0.03 -0.06 0.00 -1.44 0.00 0.00 39.64 38.68 3i8f n ILE 53 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3i8f n HIS 54 N -0.07 0.73 -4.37 4.28 8.25 -0.99 -4.47 115.22 118.58 3i8f n HIS 54 Ca -0.00 0.32 -0.31 0.00 -0.26 0.00 0.00 57.72 57.47 3i8f n HIS 54 Cb 0.02 -0.87 -0.10 0.00 1.12 0.00 0.00 29.99 30.15 3i8f n HIS 54 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3i8f s HIS 55 N -2.40 2.79 0.69 4.41 3.76 -1.23 -4.89 115.29 118.42 3i8f s HIS 55 Ca -0.24 -0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 3i8f s HIS 55 Cb 0.05 -1.51 0.02 0.00 1.11 0.00 0.00 32.58 32.25 3i8f s HIS 55 CO 0.40 0.39 1.12 0.08 -0.85 0.00 0.00 174.74 175.88 3i8f s VAL 56 N -1.10 3.11 0.31 -0.90 1.01 -1.26 -4.73 120.40 116.84 3i8f s VAL 56 Ca 0.19 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.75 3i8f s VAL 56 Cb -0.11 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3i8f s VAL 56 CO 0.11 -0.35 -0.01 -0.63 0.00 0.00 0.00 175.10 174.22 3i8f s ILE 57 N -2.40 2.88 -0.14 2.22 1.09 0.10 -3.51 121.20 121.45 3i8f s ILE 57 Ca 0.67 -2.00 -0.01 0.00 -1.10 0.00 0.00 60.65 58.22 3i8f s ILE 57 Cb -0.21 -2.75 -0.08 0.00 -1.06 0.00 0.00 42.46 38.35 3i8f s ILE 57 CO 0.45 -0.28 -0.13 0.52 -0.10 0.00 0.00 174.94 175.39 3i8f n VAL 58 N -0.90 0.78 0.00 2.92 0.31 0.37 -0.18 118.33 121.62 3i8f n VAL 58 Ca -0.05 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3i8f n VAL 58 Cb 0.61 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3i8f n VAL 58 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i8f n LEU 59 N -3.05 0.00 0.00 7.52 4.77 -1.24 -2.48 117.00 122.52 3i8f n LEU 59 Ca -0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3i8f n LEU 59 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3i8f n LEU 59 CO 0.11 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.33 3i8f n GLU 60 N 0.00 0.00 0.00 3.23 0.28 -1.26 -2.85 120.64 120.04 3i8f n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3i8f n GLU 60 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3i8f n GLU 60 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3i8f n LEU 61 N 0.00 0.00 0.00 -1.84 4.77 -1.17 0.43 117.00 119.19 3i8f n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8f n LEU 61 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8f n LEU 61 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 3i8f n PRO 62 N 4.50 0.00 -2.87 3.23 -0.04 -1.26 -4.75 135.00 133.81 3i8f n PRO 62 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8f n PRO 62 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i8f n PRO 62 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3i8f n ASP 63 N 0.00 0.00 0.00 3.54 2.03 -1.26 0.12 116.55 120.98 3i8f n ASP 63 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i8f n ASP 63 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i8f n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i8f n GLY 64 N -0.81 0.00 2.96 0.27 0.00 -1.26 -4.87 105.19 101.49 3i8f n GLY 64 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i8f n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i8f n GLN 65 N -0.80 -1.43 0.00 1.61 1.13 0.32 -5.04 117.38 113.17 3i8f n GLN 65 Ca 0.00 -0.42 0.00 0.00 -1.94 0.00 0.00 57.00 54.64 3i8f n GLN 65 Cb 0.00 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3i8f n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3i8f n SER 66 N 0.26 0.00 -3.80 1.08 7.64 0.17 -4.47 113.62 114.49 3i8f n SER 66 Ca 0.03 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.69 3i8f n SER 66 Cb 0.32 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.35 3i8f n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3i8f s LEU 67 N 0.00 0.81 -0.09 -3.43 0.20 -1.04 -4.89 118.68 110.24 3i8f s LEU 67 Ca 0.00 -0.09 -0.30 0.00 0.69 0.00 0.00 54.13 54.43 3i8f s LEU 67 Cb 0.00 -0.43 -0.03 0.00 -0.43 0.00 0.00 46.19 45.30 3i8f s LEU 67 CO 0.00 -0.15 1.37 -2.16 -0.29 0.00 0.00 176.35 175.12 3i8f s PRO 68 N 1.65 4.25 0.00 0.98 0.04 -1.26 -4.22 135.00 136.44 3i8f s PRO 68 Ca 0.00 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 3i8f s PRO 68 Cb -0.13 -3.75 -0.00 0.00 0.04 0.00 0.00 34.50 30.66 3i8f s PRO 68 CO -0.04 -0.68 0.01 0.95 0.04 0.00 0.00 177.00 177.28 3i8f s THR 69 N 3.22 0.03 -0.31 1.26 -4.23 0.75 -0.28 115.64 116.08 3i8f s THR 69 Ca 0.61 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.82 3i8f s THR 69 Cb -0.27 -0.11 0.04 0.00 1.34 0.00 0.00 72.50 73.51 3i8f s THR 69 CO 0.21 -0.15 0.03 -0.22 -0.54 0.00 0.00 174.62 173.96 3i8f s LEU 70 N -0.43 3.99 0.14 4.79 0.20 -0.33 0.00 118.68 127.05 3i8f s LEU 70 Ca -0.05 -1.20 -0.33 0.00 0.69 0.00 0.00 54.13 53.24 3i8f s LEU 70 Cb -0.03 -1.76 -0.17 0.00 -0.43 0.00 0.00 46.19 43.80 3i8f s LEU 70 CO -0.00 -0.27 0.99 0.55 -0.29 0.00 0.00 176.35 177.33 3i8f n VAL 71 N 4.69 0.98 0.25 1.68 3.14 -1.26 -2.30 118.33 125.50 3i8f n VAL 71 Ca -0.13 -0.24 0.03 0.00 -2.96 0.00 0.00 64.34 61.03 3i8f n VAL 71 Cb 0.44 -0.46 -0.03 0.00 -1.06 0.00 0.00 33.84 32.72 3i8f n VAL 71 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i8f n ARG 72 N 1.49 4.80 -3.30 1.45 0.63 0.24 -4.47 116.66 117.50 3i8f n ARG 72 Ca 0.17 -0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.12 3i8f n ARG 72 Cb 0.21 -0.79 -0.03 0.00 0.45 0.00 0.00 32.46 32.29 3i8f n ARG 72 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 3i8f s GLN 73 N -1.59 0.23 -0.36 -0.14 0.74 -1.19 -5.01 119.66 112.34 3i8f s GLN 73 Ca 0.02 0.54 -0.05 0.00 0.05 0.00 0.00 55.36 55.93 3i8f s GLN 73 Cb 0.04 0.32 0.07 0.00 1.10 0.00 0.00 33.01 34.54 3i8f s GLN 73 CO 0.23 -0.13 0.13 0.08 -0.55 0.00 0.00 175.29 175.06 3i8f s VAL 74 N 2.52 3.49 -0.56 1.34 1.01 -1.26 -1.34 120.40 125.59 3i8f s VAL 74 Ca -0.01 -1.52 -0.24 0.00 0.00 0.00 0.00 61.98 60.22 3i8f s VAL 74 Cb -0.06 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.23 3i8f s VAL 74 CO -0.16 -0.36 0.92 0.20 0.00 0.00 0.00 175.10 175.70 3i8f s ASN 75 N 1.60 6.31 0.14 3.32 0.02 0.11 -4.97 114.94 121.47 3i8f s ASN 75 Ca 0.01 -0.46 -0.01 0.00 -1.02 0.00 0.00 52.86 51.38 3i8f s ASN 75 Cb -0.21 -2.42 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 3i8f s ASN 75 CO -0.00 -1.22 0.31 -1.48 0.02 0.00 0.00 177.10 174.73 3i8f s LEU 76 N 3.84 4.30 0.25 0.60 2.34 -1.26 0.26 118.68 129.01 3i8f s LEU 76 Ca 0.28 0.35 -0.30 0.00 0.06 0.00 0.00 54.13 54.53 3i8f s LEU 76 Cb -0.14 -3.08 -0.09 0.00 -0.56 0.00 0.00 46.19 42.32 3i8f s LEU 76 CO 0.18 0.06 1.10 -0.62 -1.06 0.00 0.00 176.35 176.00 3i8f s ASP 77 N -2.84 7.28 0.00 1.48 2.15 0.29 -4.80 116.67 120.23 3i8f s ASP 77 Ca 0.37 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.56 3i8f s ASP 77 Cb -0.12 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 3i8f s ASP 77 CO 0.28 -0.16 0.43 0.29 -0.17 0.00 0.00 175.17 175.84 3i8f n LYS 78 N 1.53 0.00 -0.11 4.34 4.76 -1.26 -1.07 118.16 126.35 3i8f n LYS 78 Ca -0.00 0.10 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 3i8f n LYS 78 Cb 0.45 -0.93 -0.03 0.00 -1.84 0.00 0.00 35.03 32.68 3i8f n LYS 78 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3i8f n ARG 79 N -0.53 -0.12 0.09 1.97 0.63 -1.26 -1.65 116.66 115.79 3i8f n ARG 79 Ca 0.00 0.96 0.13 0.00 -0.92 0.00 0.00 57.85 58.02 3i8f n ARG 79 Cb 0.00 -1.43 0.45 0.00 0.45 0.00 0.00 32.46 31.94 3i8f n ARG 79 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i8f n ARG 80 N -3.54 0.20 -3.32 -0.14 1.74 -1.26 -4.98 116.66 105.36 3i8f n ARG 80 Ca 0.01 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 3i8f n ARG 80 Cb 0.07 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3i8f n ARG 80 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i8f n ARG 81 N -2.11 -1.52 -3.79 5.56 -4.01 -0.23 -5.02 116.66 105.54 3i8f n ARG 81 Ca 0.05 1.29 -0.13 0.00 -1.04 0.00 0.00 57.85 58.03 3i8f n ARG 81 Cb 0.38 -4.35 -0.10 0.00 -3.04 0.00 0.00 32.46 25.35 3i8f n ARG 81 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 3i8f s ARG 82 N -3.61 0.42 0.43 2.89 6.06 -1.21 -4.91 118.95 119.03 3i8f s ARG 82 Ca 0.04 0.15 -0.26 0.00 -2.50 0.00 0.00 55.73 53.17 3i8f s ARG 82 Cb -0.01 0.20 -0.09 0.00 0.06 0.00 0.00 34.95 35.11 3i8f s ARG 82 CO 0.81 -0.08 1.40 -2.14 -2.50 0.00 0.00 175.30 172.78 3i8f s PRO 83 N -0.39 3.81 0.00 5.12 0.02 -1.26 0.11 135.00 142.40 3i8f s PRO 83 Ca -0.05 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3i8f s PRO 83 Cb -0.03 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.77 3i8f s PRO 83 CO 0.01 -0.70 0.12 -0.85 -0.33 0.00 0.00 177.00 175.26 3i8f n GLU 84 N -0.04 1.57 -3.19 5.54 0.28 0.14 -4.72 120.64 120.22 3i8f n GLU 84 Ca 0.04 -0.12 0.04 0.00 -0.16 0.00 0.00 57.16 56.96 3i8f n GLU 84 Cb 0.42 -0.49 -0.03 0.00 1.43 0.00 0.00 31.44 32.76 3i8f n GLU 84 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3i8f s HIS 85 N -0.26 -0.14 -0.06 -1.84 5.04 -0.85 -4.47 115.29 112.70 3i8f s HIS 85 Ca 0.00 0.22 0.05 0.00 -1.54 0.00 0.00 55.06 53.79 3i8f s HIS 85 Cb 0.00 0.08 -0.02 0.00 0.04 0.00 0.00 32.58 32.68 3i8f s HIS 85 CO 0.00 -0.07 -0.20 0.08 -2.34 0.00 0.00 174.74 172.21 3i8f s VAL 86 N 2.32 2.51 -0.15 0.89 1.01 -1.07 0.09 120.40 125.99 3i8f s VAL 86 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3i8f s VAL 86 Cb -0.03 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3i8f s VAL 86 CO -0.14 0.57 -0.19 1.51 0.00 0.00 0.00 175.10 176.84 3i8f s ASP 87 N -0.30 3.29 -0.17 3.32 1.47 -0.45 -2.61 116.67 121.22 3i8f s ASP 87 Ca 0.01 -0.57 -0.10 0.00 1.18 0.00 0.00 52.55 53.08 3i8f s ASP 87 Cb -0.13 -1.49 -0.05 0.00 -0.34 0.00 0.00 42.92 40.92 3i8f s ASP 87 CO 0.02 0.07 0.15 -0.36 0.68 0.00 0.00 175.17 175.74 3i8f s PHE 88 N 0.89 3.47 -0.07 2.11 0.40 -0.58 -0.59 117.98 123.60 3i8f s PHE 88 Ca -0.05 0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 56.48 3i8f s PHE 88 Cb -0.15 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 3i8f s PHE 88 CO -0.03 0.41 0.66 0.12 0.70 0.00 0.00 175.22 177.08 3i8f s PHE 89 N -0.01 3.57 -0.33 0.36 5.99 -0.97 -2.72 117.98 123.87 3i8f s PHE 89 Ca 0.11 1.19 -0.29 0.00 0.00 0.00 0.00 56.93 57.94 3i8f s PHE 89 Cb -0.12 -2.75 0.01 0.00 0.00 0.00 0.00 43.02 40.17 3i8f s PHE 89 CO 0.00 0.12 1.14 0.08 -0.00 0.00 0.00 175.22 176.56 3i8f s VAL 90 N 0.71 4.39 0.57 3.12 1.01 0.14 -1.18 120.40 129.16 3i8f s VAL 90 Ca 0.35 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.75 3i8f s VAL 90 Cb -0.17 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 3i8f s VAL 90 CO 0.17 -0.53 1.06 -0.76 0.00 0.00 0.00 175.10 175.03 3i8f s LEU 91 N 3.89 3.59 -0.22 3.92 2.01 0.61 -4.74 118.68 127.74 3i8f s LEU 91 Ca 0.48 1.85 -0.28 0.00 0.01 0.00 0.00 54.13 56.20 3i8f s LEU 91 Cb -0.13 -4.54 0.13 0.00 0.01 0.00 0.00 46.19 41.66 3i8f s LEU 91 CO 0.19 -1.08 1.05 -0.94 1.01 0.00 0.00 176.35 176.58 3i8f s SER 92 N -2.57 -0.37 -0.72 2.29 1.04 -1.26 -4.79 113.70 107.31 3i8f s SER 92 Ca 0.65 0.56 -0.07 0.00 0.48 0.00 0.00 55.95 57.57 3i8f s SER 92 Cb -0.16 0.52 -0.24 0.00 0.10 0.00 0.00 66.02 66.23 3i8f s SER 92 CO 0.33 -0.23 1.84 -0.90 0.98 0.00 0.00 173.24 175.25 3i8f n ASP 93 N 1.39 -1.59 -2.44 7.02 5.68 -1.26 -4.45 116.55 120.90 3i8f n ASP 93 Ca -0.11 -0.80 -0.07 0.00 -0.50 0.00 0.00 54.79 53.31 3i8f n ASP 93 Cb 0.57 -0.56 0.02 0.00 -1.14 0.00 0.00 41.12 40.01 3i8f n ASP 93 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i8f n GLU 94 N 5.26 0.90 0.00 0.11 1.02 -1.26 -4.98 120.64 121.69 3i8f n GLU 94 Ca 0.49 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.82 3i8f n GLU 94 Cb 0.24 2.24 0.00 0.00 -0.02 0.00 0.00 31.44 33.90 3i8f n GLU 94 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3i8f n PRO 95 N -0.43 2.06 0.00 3.49 -0.02 -1.26 -3.45 135.00 135.38 3i8f n PRO 95 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3i8f n PRO 95 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3i8f n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3i8f n VAL 96 N -0.14 0.00 -3.14 -1.45 0.31 -0.98 -4.56 118.33 108.37 3i8f n VAL 96 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 3i8f n VAL 96 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 3i8f n VAL 96 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i8f s GLU 97 N -1.84 4.31 0.16 5.55 8.01 -1.26 -1.03 118.70 132.59 3i8f s GLU 97 Ca 0.00 0.89 -0.23 0.00 0.01 0.00 0.00 54.97 55.64 3i8f s GLU 97 Cb 0.00 -3.12 0.07 0.00 -4.31 0.00 0.00 34.13 26.77 3i8f s GLU 97 CO 0.00 0.53 0.62 0.00 0.01 0.00 0.00 175.26 176.42 3i8f s MET 98 N -1.44 1.27 -0.41 1.61 0.23 -0.18 -4.91 119.30 115.48 3i8f s MET 98 Ca 0.36 -0.48 -0.14 0.00 -1.03 0.00 0.00 55.69 54.40 3i8f s MET 98 Cb -0.19 0.58 0.03 0.00 -1.53 0.00 0.00 34.83 33.71 3i8f s MET 98 CO 0.22 -0.56 0.28 0.71 -2.03 0.00 0.00 175.02 173.64 3i8f s TYR 99 N -3.72 3.24 -0.19 3.16 2.02 -1.26 0.74 117.35 121.34 3i8f s TYR 99 Ca 0.01 -0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 55.89 3i8f s TYR 99 Cb -0.01 -2.59 -0.05 0.00 -0.40 0.00 0.00 41.96 38.91 3i8f s TYR 99 CO -0.12 -0.62 0.19 0.08 -1.57 0.00 0.00 175.55 173.51 3i8f s VAL 100 N 1.64 5.37 0.43 0.71 1.01 -1.10 -4.48 120.40 123.99 3i8f s VAL 100 Ca 0.04 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.08 3i8f s VAL 100 Cb -0.19 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3i8f s VAL 100 CO 0.09 0.41 1.36 -0.81 0.00 0.00 0.00 175.10 176.15 3i8f n PRO 101 N 3.67 2.14 -3.46 2.72 -0.04 -1.26 -2.62 135.00 136.14 3i8f n PRO 101 Ca -0.14 0.76 -0.38 0.00 -0.04 0.00 0.00 63.50 63.70 3i8f n PRO 101 Cb 0.52 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 3i8f n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i8f s LEU 102 N -2.18 4.42 0.00 1.53 1.43 0.58 -2.75 118.68 121.72 3i8f s LEU 102 Ca 0.60 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3i8f s LEU 102 Cb -0.48 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.14 3i8f s LEU 102 CO 0.58 0.24 0.30 -1.14 0.23 0.00 0.00 176.35 176.57 3i8f n ARG 103 N 2.32 0.00 0.00 1.70 3.00 1.02 -4.87 116.66 119.84 3i8f n ARG 103 Ca -0.12 0.33 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 3i8f n ARG 103 Cb 0.52 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.97 3i8f n ARG 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3i8f n PHE 104 N -1.50 0.00 0.00 -0.14 3.72 -1.24 -4.80 117.46 113.50 3i8f n PHE 104 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i8f n PHE 104 Cb 0.00 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 3i8f n PHE 104 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3i8f n VAL 105 N -1.38 0.00 0.00 -4.37 3.14 -1.00 -4.62 118.33 110.10 3i8f n VAL 105 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8f n VAL 105 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8f n VAL 105 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8f n GLY 106 N -0.59 1.74 0.00 7.55 0.00 -1.26 -3.79 105.19 108.84 3i8f n GLY 106 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3i8f n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i8f n THR 107 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -5.01 114.28 109.58 3i8f n THR 107 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i8f n THR 107 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i8f n THR 107 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3i8f n PRO 108 N 0.00 0.00 -2.43 -2.82 -0.02 -1.25 -4.88 135.00 123.60 3i8f n PRO 108 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i8f n PRO 108 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3i8f n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8f n ALA 109 N 0.00 0.00 -0.10 3.55 0.00 -0.26 -4.18 120.51 119.52 3i8f n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8f n ALA 109 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3i8f n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 110 N -0.52 1.94 2.64 0.00 0.00 -1.24 -0.59 105.19 107.42 3i8f n GLY 110 Ca 0.00 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 3i8f n GLY 110 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i8f n VAL 111 N 0.00 3.96 0.00 1.61 3.14 -1.26 -4.80 118.33 120.99 3i8f n VAL 111 Ca 0.00 -3.29 0.00 0.00 -2.96 0.00 0.00 64.34 58.09 3i8f n VAL 111 Cb 0.00 -2.52 0.00 0.00 -1.06 0.00 0.00 33.84 30.26 3i8f n VAL 111 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 3i8f n ARG 112 N 4.76 0.00 -1.63 1.45 1.85 0.24 -4.29 116.66 119.03 3i8f n ARG 112 Ca 0.56 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.94 3i8f n ARG 112 Cb 0.34 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.71 3i8f n ARG 112 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i8f n ALA 113 N -3.62 0.31 -0.25 2.89 0.00 -1.26 -4.40 120.51 114.18 3i8f n ALA 113 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i8f n ALA 113 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3i8f n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 114 N 2.25 1.08 0.00 0.00 0.00 -1.26 -4.81 105.19 102.45 3i8f n GLY 114 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i8f n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 115 N 0.00 0.00 3.88 -0.02 0.00 -1.08 -4.76 105.19 103.22 3i8f n GLY 115 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i8f n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 116 N 0.00 1.95 0.61 1.61 1.01 -1.26 -4.38 120.40 119.94 3i8f s VAL 116 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3i8f s VAL 116 Cb 0.00 -2.92 0.14 0.00 0.00 0.00 0.00 36.38 33.59 3i8f s VAL 116 CO 0.00 0.00 0.31 -0.11 0.00 0.00 0.00 175.10 175.30 3i8f n LEU 117 N -3.83 0.00 -3.34 3.92 -0.00 -1.26 -3.32 117.00 109.18 3i8f n LEU 117 Ca 0.13 -0.31 0.02 0.00 -0.00 0.00 0.00 56.01 55.86 3i8f n LEU 117 Cb 0.60 -0.44 -0.02 0.00 -0.00 0.00 0.00 43.42 43.56 3i8f n LEU 117 CO 0.48 -1.99 0.32 -1.10 -0.00 0.00 0.00 177.39 175.10 3i8f s GLN 118 N -3.09 0.48 -0.37 1.96 -1.52 -1.24 -4.69 119.66 111.19 3i8f s GLN 118 Ca 0.24 1.01 -0.05 0.00 -1.95 0.00 0.00 55.36 54.61 3i8f s GLN 118 Cb -0.04 0.59 -0.03 0.00 -0.22 0.00 0.00 33.01 33.30 3i8f s GLN 118 CO 0.20 -0.36 3.00 -0.85 -0.25 0.00 0.00 175.29 177.03 3i8f n GLU 119 N 5.37 2.37 -1.98 2.91 -0.00 -1.26 -4.37 120.64 123.68 3i8f n GLU 119 Ca -0.06 -2.01 -0.25 0.00 -0.00 0.00 0.00 57.16 54.84 3i8f n GLU 119 Cb 0.51 -2.13 -0.06 0.00 -0.00 0.00 0.00 31.44 29.76 3i8f n GLU 119 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3i8f s ILE 120 N -1.28 3.41 0.00 3.84 -1.09 -1.24 -4.02 121.20 120.83 3i8f s ILE 120 Ca 0.61 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 3i8f s ILE 120 Cb 0.36 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 3i8f s ILE 120 CO -0.16 -0.81 0.00 1.41 -1.23 0.00 0.00 174.94 174.16 3i8f n HIS 121 N 15.07 0.00 0.99 3.97 8.25 -1.26 -2.88 115.22 139.35 3i8f n HIS 121 Ca 0.43 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.99 3i8f n HIS 121 Cb 0.46 -1.22 0.31 0.00 1.12 0.00 0.00 29.99 30.67 3i8f n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3i8f n ARG 122 N 0.42 1.90 -4.41 -0.41 -4.01 -1.26 -4.86 116.66 104.03 3i8f n ARG 122 Ca 0.00 -1.37 -0.22 0.00 -1.04 0.00 0.00 57.85 55.23 3i8f n ARG 122 Cb 0.00 -1.40 -0.09 0.00 -3.04 0.00 0.00 32.46 27.93 3i8f n ARG 122 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3i8f s ASP 123 N -1.47 2.09 -0.30 2.89 -0.00 -1.26 -0.31 116.67 118.32 3i8f s ASP 123 Ca 0.33 -1.59 -0.04 0.00 -0.00 0.00 0.00 52.55 51.25 3i8f s ASP 123 Cb 0.18 0.38 0.19 0.00 -0.00 0.00 0.00 42.92 43.67 3i8f s ASP 123 CO 0.26 -0.88 0.79 -0.51 -0.00 0.00 0.00 175.17 174.84 3i8f s ILE 124 N -3.42 -0.69 0.43 0.77 1.10 -1.08 -4.86 121.20 113.45 3i8f s ILE 124 Ca 0.32 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 60.21 3i8f s ILE 124 Cb 0.04 -0.85 -0.10 0.00 0.15 0.00 0.00 42.46 41.71 3i8f s ILE 124 CO 0.17 0.00 1.11 -0.11 -2.11 0.00 0.00 174.94 174.00 3i8f n LEU 125 N 5.37 3.23 -3.61 8.50 7.94 -1.25 -2.70 117.00 134.49 3i8f n LEU 125 Ca 0.02 1.05 -0.16 0.00 -1.11 0.00 0.00 56.01 55.81 3i8f n LEU 125 Cb 0.54 -1.41 -0.07 0.00 0.53 0.00 0.00 43.42 43.01 3i8f n LEU 125 CO -0.07 -1.18 0.34 0.68 -1.11 0.00 0.00 177.39 176.05 3i8f s VAL 126 N -1.25 0.01 -0.05 1.96 -7.23 0.23 -2.30 120.40 111.76 3i8f s VAL 126 Ca 0.63 -0.07 -0.13 0.00 -1.81 0.00 0.00 61.98 60.60 3i8f s VAL 126 Cb -0.53 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 3i8f s VAL 126 CO 0.57 -0.04 0.35 -0.75 -0.31 0.00 0.00 175.10 174.92 3i8f s LYS 127 N -0.61 3.92 0.06 4.82 2.20 0.24 -1.01 119.74 129.36 3i8f s LYS 127 Ca -0.07 0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 55.54 3i8f s LYS 127 Cb -0.02 -3.26 0.09 0.00 -1.51 0.00 0.00 37.83 33.12 3i8f s LYS 127 CO 0.06 0.60 1.00 0.54 -0.36 0.00 0.00 175.35 177.19 3i8f s VAL 128 N -0.71 0.00 0.15 4.02 0.11 -0.20 -1.07 120.40 122.70 3i8f s VAL 128 Ca 0.21 -0.36 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 3i8f s VAL 128 Cb -0.15 -1.63 -0.05 0.00 -1.53 0.00 0.00 36.38 33.02 3i8f s VAL 128 CO 0.10 0.00 0.37 -0.94 -3.33 0.00 0.00 175.10 171.30 3i8f s SER 129 N -2.76 6.46 0.36 3.54 1.04 -1.22 -2.31 113.70 118.81 3i8f s SER 129 Ca 0.10 0.53 0.15 0.00 0.48 0.00 0.00 55.95 57.21 3i8f s SER 129 Cb -0.00 -2.07 0.83 0.00 0.10 0.00 0.00 66.02 64.88 3i8f s SER 129 CO -0.02 0.03 1.38 -0.65 0.98 0.00 0.00 173.24 174.96 3i8f h PRO 130 N 2.63 0.00 0.00 4.02 0.11 -1.78 -3.19 132.00 133.79 3i8f h PRO 130 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i8f h PRO 130 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i8f h PRO 130 CO 0.72 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.05 3i8f n ARG 131 N -2.15 0.00 -3.13 1.05 1.74 -1.26 -4.61 116.66 108.29 3i8f n ARG 131 Ca -0.01 0.41 -0.44 0.00 -0.77 0.00 0.00 57.85 57.04 3i8f n ARG 131 Cb 0.32 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 3i8f n ARG 131 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8f s ASN 132 N -2.35 6.22 -0.51 0.55 2.20 -1.21 -4.99 114.94 114.86 3i8f s ASN 132 Ca 0.00 -0.98 0.03 0.00 -0.94 0.00 0.00 52.86 50.97 3i8f s ASN 132 Cb 0.00 -2.30 0.15 0.00 -2.00 0.00 0.00 41.25 37.10 3i8f s ASN 132 CO 0.00 -0.95 0.34 -0.63 -2.94 0.00 0.00 177.10 172.91 3i8f s ILE 133 N 2.72 1.54 0.15 0.54 1.09 -1.26 -4.54 121.20 121.44 3i8f s ILE 133 Ca 0.15 -3.07 -0.18 0.00 -1.10 0.00 0.00 60.65 56.45 3i8f s ILE 133 Cb -0.20 -2.05 -0.11 0.00 -1.06 0.00 0.00 42.46 39.04 3i8f s ILE 133 CO 0.11 -1.02 0.30 -0.81 -0.10 0.00 0.00 174.94 173.42 3i8f n PRO 134 N 2.91 0.00 -0.02 2.79 -0.04 -1.26 -4.79 135.00 134.59 3i8f n PRO 134 Ca 0.17 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 3i8f n PRO 134 Cb 0.38 -0.66 0.59 0.00 -0.04 0.00 0.00 33.50 33.77 3i8f n PRO 134 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i8f n GLU 135 N 0.69 1.45 -3.71 0.54 0.28 -1.26 -4.95 120.64 113.67 3i8f n GLU 135 Ca 0.11 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.46 3i8f n GLU 135 Cb 0.18 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.61 3i8f n GLU 135 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 3i8f n PHE 136 N -0.18 0.00 -4.03 -1.84 1.16 -1.26 -4.79 117.46 106.52 3i8f n PHE 136 Ca 0.19 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.67 3i8f n PHE 136 Cb 0.26 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.02 3i8f n PHE 136 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3i8f s ILE 137 N -2.31 0.27 -0.20 1.97 1.01 -1.11 -4.97 121.20 115.86 3i8f s ILE 137 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 60.65 59.40 3i8f s ILE 137 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3i8f s ILE 137 CO 0.00 -0.59 0.05 -1.61 0.00 0.00 0.00 174.94 172.80 3i8f s GLU 138 N -2.09 3.83 -0.55 2.79 2.02 -1.26 0.34 118.70 123.78 3i8f s GLU 138 Ca -0.09 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.54 3i8f s GLU 138 Cb -0.06 -3.22 0.14 0.00 0.10 0.00 0.00 34.13 31.09 3i8f s GLU 138 CO -0.03 0.12 0.30 0.08 0.02 0.00 0.00 175.26 175.75 3i8f s VAL 139 N 0.79 2.62 0.00 2.63 1.01 -1.26 -4.56 120.40 121.62 3i8f s VAL 139 Ca 0.03 -3.47 0.00 0.00 0.00 0.00 0.00 61.98 58.54 3i8f s VAL 139 Cb -0.14 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3i8f s VAL 139 CO 0.02 -0.84 0.00 0.47 0.00 0.00 0.00 175.10 174.76 3i8f n ASP 140 N 2.92 0.00 0.00 3.32 8.00 -1.25 -2.37 116.55 127.18 3i8f n ASP 140 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3i8f n ASP 140 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3i8f n ASP 140 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3i8f n VAL 141 N 0.00 0.00 0.00 2.53 3.14 -1.26 -4.63 118.33 118.12 3i8f n VAL 141 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8f n VAL 141 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8f n VAL 141 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3i8f n SER 142 N 0.00 0.00 -3.84 6.55 7.64 -1.26 -3.82 113.62 118.89 3i8f n SER 142 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3i8f n SER 142 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3i8f n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8f n GLY 143 N 1.00 0.19 2.00 0.23 0.00 -1.26 -1.10 105.19 106.25 3i8f n GLY 143 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3i8f n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8f n LEU 144 N 10.09 6.15 -0.74 0.99 7.94 -1.26 -3.62 117.00 136.56 3i8f n LEU 144 Ca 0.35 -3.39 0.00 0.00 -1.11 0.00 0.00 56.01 51.86 3i8f n LEU 144 Cb 0.41 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.59 3i8f n LEU 144 CO 0.86 0.92 0.07 1.21 -1.11 0.00 0.00 177.39 179.34 3i8f n GLU 145 N -0.56 0.19 -3.02 1.96 4.07 -1.09 -4.42 120.64 117.77 3i8f n GLU 145 Ca 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 3i8f n GLU 145 Cb 1.46 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 3i8f n GLU 145 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i8f n ILE 146 N 0.64 0.00 -0.08 6.31 2.08 -1.26 -4.83 119.36 122.22 3i8f n ILE 146 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i8f n ILE 146 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 3i8f n ILE 146 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i8f n GLY 147 N -0.01 0.27 0.00 7.39 0.00 -1.26 -4.62 105.19 106.97 3i8f n GLY 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8f n GLY 147 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8f n ASP 148 N 0.00 0.00 0.00 1.61 8.00 -1.26 -4.83 116.55 120.07 3i8f n ASP 148 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i8f n ASP 148 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i8f n ASP 148 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3i8f n SER 149 N 0.35 0.00 -4.25 -2.24 3.41 -1.17 -4.96 113.62 104.77 3i8f n SER 149 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3i8f n SER 149 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3i8f n SER 149 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3i8f s LEU 150 N 0.00 6.24 1.02 1.04 0.20 -1.07 -4.99 118.68 121.12 3i8f s LEU 150 Ca 0.00 -2.75 -0.12 0.00 0.69 0.00 0.00 54.13 51.94 3i8f s LEU 150 Cb 0.00 -2.09 0.20 0.00 -0.43 0.00 0.00 46.19 43.88 3i8f s LEU 150 CO 0.00 -0.50 1.08 -1.00 -0.29 0.00 0.00 176.35 175.64 3i8f s HIS 151 N 0.08 1.96 0.49 5.38 3.76 -1.25 -3.73 115.29 121.98 3i8f s HIS 151 Ca 0.18 1.05 0.14 0.00 -0.15 0.00 0.00 55.06 56.28 3i8f s HIS 151 Cb -0.14 -3.23 1.15 0.00 1.11 0.00 0.00 32.58 31.48 3i8f s HIS 151 CO -0.07 -3.06 2.10 0.00 -0.85 0.00 0.00 174.74 172.87 3i8f h ALA 152 N -2.02 1.89 0.02 -1.40 0.00 -1.68 -2.41 119.26 113.66 3i8f h ALA 152 Ca -0.55 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3i8f h ALA 152 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i8f h ALA 152 CO 0.56 0.09 -0.01 0.66 0.00 0.00 0.00 179.25 180.55 3i8f h SER 153 N 0.09 -0.02 -0.76 0.00 4.64 -1.91 -3.28 113.55 112.30 3i8f h SER 153 Ca 0.02 -0.21 0.12 0.00 -0.47 0.00 0.00 61.79 61.25 3i8f h SER 153 Cb 0.06 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.02 3i8f h SER 153 CO 0.00 0.20 -0.37 0.44 -0.87 0.00 0.00 176.83 176.23 3i8f h ASP 154 N -0.25 -1.32 -0.52 4.97 3.45 -1.77 -3.45 116.42 117.52 3i8f h ASP 154 Ca -0.00 0.26 -0.16 0.00 0.43 0.00 0.00 57.03 57.56 3i8f h ASP 154 Cb 0.24 0.66 0.08 0.00 -0.56 0.00 0.00 39.33 39.75 3i8f h ASP 154 CO 0.00 -0.30 -0.66 0.18 -1.57 0.00 0.00 179.24 176.89 3i8f n LEU 155 N -5.44 -1.59 0.10 1.55 4.77 -1.23 -4.84 117.00 110.32 3i8f n LEU 155 Ca 0.06 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3i8f n LEU 155 Cb 0.37 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3i8f n LEU 155 CO -0.05 -1.54 0.32 0.11 -1.33 0.00 0.00 177.39 174.90 3i8f h LYS 156 N -0.31 0.05 -6.23 3.23 6.56 -1.86 -3.48 116.57 114.53 3i8f h LYS 156 Ca -0.13 -0.05 -0.43 0.00 -1.06 0.00 0.00 60.65 58.97 3i8f h LYS 156 Cb 0.41 0.02 0.09 0.00 -0.57 0.00 0.00 32.23 32.17 3i8f h LYS 156 CO 0.07 0.82 -0.94 1.28 -2.06 0.00 0.00 179.45 178.62 3i8f n LEU 157 N -3.62 -2.84 -1.91 2.94 4.32 -1.26 -4.85 117.00 109.78 3i8f n LEU 157 Ca -0.01 -1.02 -0.19 0.00 -0.02 0.00 0.00 56.01 54.77 3i8f n LEU 157 Cb 0.77 -2.39 -0.00 0.00 -1.62 0.00 0.00 43.42 40.17 3i8f n LEU 157 CO 0.45 0.47 -0.15 -2.65 -1.22 0.00 0.00 177.39 174.29 3i8f n PRO 158 N -4.19 0.00 -1.23 3.23 -0.02 -1.26 -4.59 135.00 126.95 3i8f n PRO 158 Ca -0.10 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.86 3i8f n PRO 158 Cb 0.59 -0.44 -0.09 0.00 -0.02 0.00 0.00 33.50 33.54 3i8f n PRO 158 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i8f n PRO 159 N 0.55 0.00 -0.93 0.52 -0.02 -1.26 -3.87 135.00 129.99 3i8f n PRO 159 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3i8f n PRO 159 Cb 0.16 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3i8f n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i8f n GLY 160 N 4.54 -1.74 3.80 -1.23 0.00 -1.26 -5.00 105.19 104.30 3i8f n GLY 160 Ca 0.34 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 3i8f n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 161 N 0.00 0.00 -0.51 1.61 1.01 -1.25 -4.93 120.40 116.34 3i8f s VAL 161 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3i8f s VAL 161 Cb 0.00 -2.12 0.21 0.00 0.00 0.00 0.00 36.38 34.46 3i8f s VAL 161 CO 0.00 0.00 0.79 -0.62 0.00 0.00 0.00 175.10 175.27 3i8f n GLU 162 N -0.49 0.61 -0.24 2.72 -0.58 -0.23 -4.86 120.64 117.56 3i8f n GLU 162 Ca -0.05 -1.92 -0.09 0.00 -0.42 0.00 0.00 57.16 54.67 3i8f n GLU 162 Cb 0.60 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 30.01 3i8f n GLU 162 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3i8f n LEU 163 N 2.54 0.16 -2.43 -4.62 4.77 -1.26 -0.59 117.00 115.56 3i8f n LEU 163 Ca 0.15 0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.05 3i8f n LEU 163 Cb 0.58 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3i8f n LEU 163 CO -0.00 -0.12 0.15 0.00 -1.33 0.00 0.00 177.39 176.09 3i8f n ALA 164 N 0.64 4.85 -3.60 -1.18 0.00 -0.97 -4.70 120.51 115.55 3i8f n ALA 164 Ca 0.05 -4.10 -0.01 0.00 0.00 0.00 0.00 53.44 49.39 3i8f n ALA 164 Cb -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 18.91 3i8f n ALA 164 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i8f n VAL 165 N -0.48 0.00 -2.41 0.00 0.24 -1.26 -4.49 118.33 109.93 3i8f n VAL 165 Ca 0.36 -0.74 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 3i8f n VAL 165 Cb 0.73 0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 3i8f n VAL 165 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i8f s SER 166 N -2.56 6.55 0.64 -1.34 0.15 -1.26 -4.88 113.70 111.00 3i8f s SER 166 Ca 0.12 1.01 0.24 0.00 0.70 0.00 0.00 55.95 58.02 3i8f s SER 166 Cb -0.04 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.96 3i8f s SER 166 CO 0.09 -1.21 1.69 -0.65 1.20 0.00 0.00 173.24 174.35 3i8f h PRO 167 N 9.76 0.00 0.00 5.44 0.11 -1.98 0.81 132.00 146.14 3i8f h PRO 167 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i8f h PRO 167 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i8f h PRO 167 CO 1.06 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 3i8f n GLU 168 N -3.08 0.01 -0.85 1.05 4.71 -1.26 -3.79 120.64 117.42 3i8f n GLU 168 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.85 3i8f n GLU 168 Cb 0.69 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.71 3i8f n GLU 168 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3i8f n GLU 169 N -1.50 -0.22 0.00 3.49 -0.58 0.28 -4.92 120.64 117.20 3i8f n GLU 169 Ca 0.07 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 3i8f n GLU 169 Cb 0.34 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3i8f n GLU 169 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i8f n THR 170 N -3.29 0.00 0.00 2.62 -1.04 -1.26 -3.92 114.28 107.38 3i8f n THR 170 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3i8f n THR 170 Cb 0.54 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 3i8f n THR 170 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i8f n ILE 171 N 0.00 0.00 -3.73 12.58 2.08 -1.14 -3.75 119.36 125.40 3i8f n ILE 171 Ca 0.00 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.18 3i8f n ILE 171 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 38.79 3i8f n ILE 171 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8f s ALA 172 N -1.52 -1.01 0.35 -1.39 0.00 -1.24 -3.59 121.76 113.35 3i8f s ALA 172 Ca 0.00 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 3i8f s ALA 172 Cb 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.53 3i8f s ALA 172 CO 0.00 -0.20 0.74 0.00 0.00 0.00 0.00 175.76 176.30 3i8f s ALA 173 N 0.12 -0.81 -0.14 0.00 0.00 -1.26 -2.58 121.76 117.08 3i8f s ALA 173 Ca -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 3i8f s ALA 173 Cb -0.03 0.76 0.07 0.00 0.00 0.00 0.00 23.12 23.93 3i8f s ALA 173 CO 0.01 -0.99 0.30 0.08 0.00 0.00 0.00 175.76 175.15 3i8f s VAL 174 N -2.91 -0.46 0.57 0.00 1.01 -1.26 -3.66 120.40 113.69 3i8f s VAL 174 Ca 0.15 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.46 3i8f s VAL 174 Cb -0.05 -0.49 0.07 0.00 0.00 0.00 0.00 36.38 35.91 3i8f s VAL 174 CO 0.10 0.11 0.59 -0.69 0.00 0.00 0.00 175.10 175.21 3i8f s VAL 175 N 2.45 1.79 0.30 2.92 1.01 -1.21 -4.77 120.40 122.88 3i8f s VAL 175 Ca 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.77 3i8f s VAL 175 Cb -0.12 -2.06 0.30 0.00 0.00 0.00 0.00 36.38 34.49 3i8f s VAL 175 CO -0.09 0.00 1.74 -0.65 0.00 0.00 0.00 175.10 176.10 3i8f h PRO 176 N 0.45 0.60 0.00 2.72 0.11 -1.95 -2.85 132.00 131.09 3i8f h PRO 176 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i8f h PRO 176 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i8f h PRO 176 CO 0.49 0.40 0.00 -2.30 -0.21 0.00 0.00 178.00 176.38 3i8f n PRO 177 N -4.87 0.00 -3.62 1.05 -0.02 -1.26 -3.88 135.00 122.40 3i8f n PRO 177 Ca 0.24 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.53 3i8f n PRO 177 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 3i8f n PRO 177 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i8f n GLU 178 N 0.00 -1.47 -1.51 -0.52 -0.00 -1.26 0.40 120.64 116.28 3i8f n GLU 178 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 57.16 58.08 3i8f n GLU 178 Cb 0.00 -3.14 0.00 0.00 -0.00 0.00 0.00 31.44 28.30 3i8f n GLU 178 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i8f n ASP 179 N -2.42 -0.50 -1.59 -1.84 2.03 -1.26 -3.89 116.55 107.08 3i8f n ASP 179 Ca -0.24 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3i8f n ASP 179 Cb 0.65 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 3i8f n ASP 179 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i8f n VAL 180 N -1.33 -5.20 -0.83 5.18 0.31 1.33 -4.92 118.33 112.86 3i8f n VAL 180 Ca 0.00 2.34 0.09 0.00 -0.01 0.00 0.00 64.34 66.76 3i8f n VAL 180 Cb 0.25 -3.19 -0.03 0.00 -0.91 0.00 0.00 33.84 29.96 3i8f n VAL 180 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i8f n GLU 181 N -0.34 -1.47 -1.68 5.55 4.07 -1.23 -4.58 120.64 120.97 3i8f n GLU 181 Ca 0.00 1.04 -0.54 0.00 -0.06 0.00 0.00 57.16 57.60 3i8f n GLU 181 Cb 0.00 -1.90 -0.06 0.00 -0.06 0.00 0.00 31.44 29.41 3i8f n GLU 181 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i8f n LYS 182 N -2.72 1.40 -1.03 5.31 0.00 -1.26 -4.82 118.16 115.04 3i8f n LYS 182 Ca -0.01 0.51 -0.42 0.00 0.00 0.00 0.00 58.31 58.39 3i8f n LYS 182 Cb 0.59 -2.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.32 3i8f n LYS 182 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3i8f n LEU 183 N 4.87 3.07 0.00 3.14 -0.00 -1.26 -2.55 117.00 124.27 3i8f n LEU 183 Ca 0.23 -2.50 0.00 0.00 -0.00 0.00 0.00 56.01 53.74 3i8f n LEU 183 Cb 0.18 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 3i8f n LEU 183 CO 0.74 -1.01 0.00 0.00 -0.00 0.00 0.00 177.39 177.12 3i8f n ALA 184 N 8.68 0.00 0.00 1.47 0.00 -1.26 -4.98 120.51 124.41 3i8f n ALA 184 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i8f n ALA 184 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3i8f n ALA 184 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8f n GLU 185 N 0.00 0.00 0.00 0.00 -0.58 -1.06 -4.75 120.64 114.26 3i8f n GLU 185 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i8f n GLU 185 Cb 0.00 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 3i8f n GLU 185 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3i8f n GLU 186 N -0.65 0.00 0.00 3.49 4.71 -1.26 -5.14 120.64 121.79 3i8f n GLU 186 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i8f n GLU 186 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3i8f n GLU 186 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22