#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s ARG 2 N 0.00 0.57 0.01 -0.52 3.52 -1.26 -1.08 118.95 120.18 1s72 s ARG 2 Ca 0.00 1.06 0.08 0.00 -0.13 0.00 0.00 55.73 56.73 1s72 s ARG 2 Cb 0.00 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1s72 s ARG 2 CO 0.00 -0.16 -0.23 0.14 -0.81 0.00 0.00 175.30 174.24 1s72 s VAL 3 N 1.62 1.86 -0.12 7.11 -7.23 0.08 -4.99 120.40 118.72 1s72 s VAL 3 Ca -0.09 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1s72 s VAL 3 Cb -0.07 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1s72 s VAL 3 CO -0.17 0.42 -0.22 -1.61 -0.31 0.00 0.00 175.10 173.22 1s72 s GLU 4 N -0.82 3.08 -0.32 4.82 2.02 -1.26 -1.70 118.70 124.52 1s72 s GLU 4 Ca 0.09 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 1s72 s GLU 4 Cb -0.09 -2.40 0.06 0.00 0.10 0.00 0.00 34.13 31.80 1s72 s GLU 4 CO 0.00 0.10 0.04 -0.51 0.02 0.00 0.00 175.26 174.92 1s72 s LEU 5 N 0.54 4.17 -0.19 1.80 1.43 -0.10 -4.95 118.68 121.38 1s72 s LEU 5 Ca -0.13 -1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 51.27 1s72 s LEU 5 Cb -0.17 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1s72 s LEU 5 CO 0.04 -0.31 1.60 -1.61 0.23 0.00 0.00 176.35 176.30 1s72 s GLU 6 N 1.24 3.89 0.29 1.70 2.02 -1.26 -0.91 118.70 125.67 1s72 s GLU 6 Ca -0.02 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.43 1s72 s GLU 6 Cb -0.20 -4.01 -0.10 0.00 0.10 0.00 0.00 34.13 29.92 1s72 s GLU 6 CO -0.01 -1.18 1.18 -1.50 0.02 0.00 0.00 175.26 173.77 1s72 s ILE 7 N 4.89 3.21 0.53 -1.63 2.07 -0.61 -4.97 121.20 124.69 1s72 s ILE 7 Ca 0.71 1.21 -0.22 0.00 -1.41 0.00 0.00 60.65 60.93 1s72 s ILE 7 Cb -0.26 -3.77 -0.05 0.00 0.13 0.00 0.00 42.46 38.51 1s72 s ILE 7 CO 0.28 0.28 1.35 -2.84 -1.91 0.00 0.00 174.94 172.11 1s72 s PRO 8 N -1.49 3.24 0.44 3.50 0.02 -1.26 -4.90 135.00 134.56 1s72 s PRO 8 Ca 0.47 2.22 0.17 0.00 0.02 0.00 0.00 61.00 63.87 1s72 s PRO 8 Cb -0.35 -2.31 1.09 0.00 0.02 0.00 0.00 34.50 32.95 1s72 s PRO 8 CO 0.45 -1.10 1.94 1.05 -0.33 0.00 0.00 177.00 179.01 1s72 h GLU 9 N 1.60 0.35 0.00 5.54 4.11 -1.99 0.20 114.58 124.39 1s72 h GLU 9 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1s72 h GLU 9 Cb 1.29 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1s72 h GLU 9 CO 0.58 0.23 0.00 0.22 0.07 0.00 0.00 179.01 180.11 1s72 h ASP 10 N 0.36 0.00 -2.21 3.06 1.82 -1.98 -3.46 116.42 114.01 1s72 h ASP 10 Ca 0.34 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.40 1s72 h ASP 10 Cb 0.82 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.71 1s72 h ASP 10 CO -0.10 0.00 -0.69 -0.69 -1.61 0.00 0.00 179.24 176.16 1s72 s VAL 11 N -3.65 3.11 -0.06 2.25 1.01 0.71 -4.48 120.40 119.28 1s72 s VAL 11 Ca 0.01 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1s72 s VAL 11 Cb 0.09 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1s72 s VAL 11 CO 0.48 -0.38 -0.06 -1.81 0.00 0.00 0.00 175.10 173.33 1s72 s ASP 12 N -3.61 1.40 -0.14 3.32 1.01 -0.93 -4.73 116.67 112.98 1s72 s ASP 12 Ca 0.31 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.38 1s72 s ASP 12 Cb -0.06 -0.59 0.02 0.00 1.01 0.00 0.00 42.92 43.30 1s72 s ASP 12 CO 0.18 -0.06 -0.12 0.00 0.21 0.00 0.00 175.17 175.38 1s72 s ALA 13 N 1.11 1.73 0.20 5.23 0.00 -1.26 -1.37 121.76 127.39 1s72 s ALA 13 Ca -0.08 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1s72 s ALA 13 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1s72 s ALA 13 CO -0.01 -0.43 -0.03 -2.00 0.00 0.00 0.00 175.76 173.29 1s72 s GLU 14 N 1.54 2.29 -0.28 0.00 2.12 -0.68 -4.90 118.70 118.78 1s72 s GLU 14 Ca 0.04 -1.22 -0.11 0.00 0.36 0.00 0.00 54.97 54.04 1s72 s GLU 14 Cb -0.13 -2.26 0.11 0.00 0.26 0.00 0.00 34.13 32.11 1s72 s GLU 14 CO -0.10 0.43 0.64 -1.14 -0.54 0.00 0.00 175.26 174.54 1s72 s GLN 15 N -3.08 0.59 -0.07 4.30 -0.44 -1.26 -0.78 119.66 118.91 1s72 s GLN 15 Ca 0.28 1.34 0.03 0.00 -2.50 0.00 0.00 55.36 54.51 1s72 s GLN 15 Cb -0.08 0.60 0.00 0.00 -1.64 0.00 0.00 33.01 31.89 1s72 s GLN 15 CO 0.18 -0.19 -0.18 0.16 0.50 0.00 0.00 175.29 175.76 1s72 s ASP 16 N 2.48 2.37 1.68 6.67 -4.77 -0.97 -4.84 116.67 119.30 1s72 s ASP 16 Ca -0.07 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.77 1s72 s ASP 16 Cb -0.10 -0.97 0.00 0.00 -1.09 0.00 0.00 42.92 40.76 1s72 s ASP 16 CO -0.19 0.11 0.00 1.41 0.70 0.00 0.00 175.17 177.21 1s72 n HIS 17 N 3.52 0.00 -0.01 2.11 8.25 -1.26 -2.46 115.22 125.37 1s72 n HIS 17 Ca -0.20 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1s72 n HIS 17 Cb 0.52 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.91 1s72 n HIS 17 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1s72 n LEU 18 N 0.00 3.65 -4.58 2.41 4.77 -1.26 -4.93 117.00 117.06 1s72 n LEU 18 Ca 0.00 -1.72 -0.34 0.00 -0.03 0.00 0.00 56.01 53.92 1s72 n LEU 18 Cb 0.00 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1s72 n LEU 18 CO 0.00 0.86 -0.34 -1.81 -1.33 0.00 0.00 177.39 174.77 1s72 s ASP 19 N -1.21 4.93 -0.05 -1.43 1.01 -1.03 -1.29 116.67 117.59 1s72 s ASP 19 Ca 0.44 -0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.75 1s72 s ASP 19 Cb 0.24 -1.54 -0.01 0.00 1.01 0.00 0.00 42.92 42.62 1s72 s ASP 19 CO 0.32 0.28 -0.22 -0.63 0.21 0.00 0.00 175.17 175.13 1s72 s ILE 20 N -0.31 1.84 -0.02 0.77 1.01 -0.23 -2.28 121.20 121.99 1s72 s ILE 20 Ca 0.06 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1s72 s ILE 20 Cb -0.12 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1s72 s ILE 20 CO 0.02 0.52 -0.24 -0.89 0.00 0.00 0.00 174.94 174.35 1s72 s THR 21 N -0.16 1.87 -0.11 2.92 2.01 0.04 -0.34 115.64 121.86 1s72 s THR 21 Ca -0.02 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1s72 s THR 21 Cb -0.12 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1s72 s THR 21 CO 0.03 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.68 1s72 s VAL 22 N -0.55 1.25 -0.04 3.82 1.01 0.13 -1.69 120.40 124.33 1s72 s VAL 22 Ca 0.09 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1s72 s VAL 22 Cb -0.09 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1s72 s VAL 22 CO -0.01 0.40 -0.24 -1.61 0.00 0.00 0.00 175.10 173.64 1s72 s GLU 23 N 1.38 2.40 0.25 2.72 2.02 -0.47 -0.41 118.70 126.59 1s72 s GLU 23 Ca 0.00 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.12 1s72 s GLU 23 Cb -0.13 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.93 1s72 s GLU 23 CO -0.06 0.48 0.30 0.41 0.02 0.00 0.00 175.26 176.41 1s72 n GLY 24 N 2.69 2.72 0.31 -1.39 0.00 0.11 -2.19 105.19 107.43 1s72 n GLY 24 Ca -0.17 -1.67 0.19 0.00 0.00 0.00 0.00 46.02 44.37 1s72 n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s72 h ASP 25 N 1.47 0.00 0.20 1.61 3.32 -1.62 -2.05 116.42 119.34 1s72 h ASP 25 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1s72 h ASP 25 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1s72 h ASP 25 CO 0.26 0.02 -0.35 -3.20 -1.72 0.00 0.00 179.24 174.25 1s72 n ASN 26 N -3.31 1.19 0.00 6.45 5.15 0.64 -5.02 115.26 120.36 1s72 n ASN 26 Ca -0.02 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1s72 n ASN 26 Cb 0.14 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1s72 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s72 n GLY 27 N 1.38 0.61 3.16 8.20 0.00 -0.77 -4.68 105.19 113.08 1s72 n GLY 27 Ca 0.11 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 1s72 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s72 s SER 28 N -4.00 -0.30 -0.04 1.61 1.04 -1.26 0.07 113.70 110.82 1s72 s SER 28 Ca 0.00 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1s72 s SER 28 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1s72 s SER 28 CO 0.00 -0.11 -0.08 -0.69 0.98 0.00 0.00 173.24 173.33 1s72 s VAL 29 N 0.37 0.80 -0.08 5.02 1.01 0.45 -4.91 120.40 123.06 1s72 s VAL 29 Ca -0.02 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1s72 s VAL 29 Cb -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1s72 s VAL 29 CO -0.02 0.27 -0.22 -0.89 0.00 0.00 0.00 175.10 174.24 1s72 s THR 30 N 0.57 2.28 0.13 3.92 2.01 -1.26 0.22 115.64 123.50 1s72 s THR 30 Ca -0.09 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 60.98 1s72 s THR 30 Cb -0.13 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1s72 s THR 30 CO 0.01 0.56 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.28 1s72 s ARG 31 N 0.00 0.97 -0.18 4.92 0.52 0.53 -4.96 118.95 120.75 1s72 s ARG 31 Ca -0.08 -1.34 -0.08 0.00 -0.52 0.00 0.00 55.73 53.71 1s72 s ARG 31 Cb -0.15 -0.56 -0.04 0.00 0.52 0.00 0.00 34.95 34.72 1s72 s ARG 31 CO 0.05 0.07 0.07 0.50 0.02 0.00 0.00 175.30 176.02 1s72 s ARG 32 N -3.43 3.99 -0.47 3.54 3.52 -1.26 -1.06 118.95 123.78 1s72 s ARG 32 Ca 0.12 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 1s72 s ARG 32 Cb 0.01 -3.24 0.14 0.00 -1.56 0.00 0.00 34.95 30.29 1s72 s ARG 32 CO -0.00 0.30 0.26 -0.51 -0.81 0.00 0.00 175.30 174.54 1s72 s LEU 33 N 0.31 3.15 -0.20 -0.88 1.43 -0.42 -5.01 118.68 117.06 1s72 s LEU 33 Ca 0.04 -2.79 0.01 0.00 -1.03 0.00 0.00 54.13 50.36 1s72 s LEU 33 Cb -0.12 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1s72 s LEU 33 CO -0.00 -0.25 -0.17 0.86 0.23 0.00 0.00 176.35 177.02 1s72 s TRP 34 N 0.10 2.87 -0.13 0.29 -0.00 -1.26 -4.89 118.94 115.92 1s72 s TRP 34 Ca 0.18 -1.69 -0.19 0.00 -0.00 0.00 0.00 56.10 54.40 1s72 s TRP 34 Cb -0.23 -1.94 0.05 0.00 -0.00 0.00 0.00 33.47 31.35 1s72 s TRP 34 CO -0.01 -0.80 0.50 -0.47 -0.00 0.00 0.00 176.95 176.17 1s72 s TYR 35 N 1.28 -0.50 -0.29 5.86 5.04 -1.26 -5.11 117.35 122.36 1s72 s TYR 35 Ca 0.03 1.12 -0.41 0.00 -2.44 0.00 0.00 57.07 55.37 1s72 s TYR 35 Cb -0.14 0.21 -0.16 0.00 0.35 0.00 0.00 41.96 42.22 1s72 s TYR 35 CO -0.11 -0.35 1.74 -2.30 -1.34 0.00 0.00 175.55 173.19 1s72 n PRO 36 N 2.19 1.09 -2.35 4.97 -0.02 -1.26 -2.20 135.00 137.43 1s72 n PRO 36 Ca -0.16 0.40 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 1s72 n PRO 36 Cb 0.56 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1s72 n PRO 36 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1s72 n ASP 37 N 5.31 -5.70 -4.20 2.55 8.00 -1.26 -4.99 116.55 116.26 1s72 n ASP 37 Ca 0.27 0.04 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 1s72 n ASP 37 Cb 0.12 -4.77 -0.15 0.00 -0.02 0.00 0.00 41.12 36.30 1s72 n ASP 37 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s72 s ILE 38 N -2.98 2.69 -0.19 0.53 1.01 -0.93 -4.28 121.20 117.05 1s72 s ILE 38 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1s72 s ILE 38 Cb 0.00 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1s72 s ILE 38 CO 0.00 0.39 0.11 -1.81 0.00 0.00 0.00 174.94 173.63 1s72 s ASP 39 N 1.35 6.06 -0.19 3.58 1.01 0.02 -4.67 116.67 123.82 1s72 s ASP 39 Ca 0.03 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.52 1s72 s ASP 39 Cb -0.15 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.77 1s72 s ASP 39 CO -0.07 0.20 -0.18 -0.69 0.21 0.00 0.00 175.17 174.64 1s72 s VAL 40 N 0.21 2.07 0.06 -1.27 1.01 -1.25 -1.51 120.40 119.72 1s72 s VAL 40 Ca 0.07 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1s72 s VAL 40 Cb -0.11 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1s72 s VAL 40 CO -0.01 0.44 -0.05 -0.94 0.00 0.00 0.00 175.10 174.54 1s72 s SER 41 N 1.26 0.71 -0.47 3.32 1.04 -0.43 -4.97 113.70 114.16 1s72 s SER 41 Ca 0.03 -0.79 -0.15 0.00 0.48 0.00 0.00 55.95 55.51 1s72 s SER 41 Cb -0.14 0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.16 1s72 s SER 41 CO -0.12 -0.41 0.39 -0.69 0.98 0.00 0.00 173.24 173.40 1s72 s VAL 42 N -2.72 5.21 -1.12 5.02 1.01 -1.26 0.05 120.40 126.58 1s72 s VAL 42 Ca -0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1s72 s VAL 42 Cb -0.01 -4.11 0.25 0.00 0.00 0.00 0.00 36.38 32.51 1s72 s VAL 42 CO -0.04 -0.58 1.18 -0.62 0.00 0.00 0.00 175.10 175.04 1s72 s ASP 43 N 2.59 7.23 0.29 3.32 2.15 0.70 -4.94 116.67 128.00 1s72 s ASP 43 Ca 0.04 -3.39 0.00 0.00 0.43 0.00 0.00 52.55 49.63 1s72 s ASP 43 Cb -0.24 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1s72 s ASP 43 CO 0.07 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1s72 n GLY 44 N 3.14 0.23 0.19 2.66 0.00 -1.26 -1.95 105.19 108.20 1s72 n GLY 44 Ca 0.27 0.69 0.11 0.00 0.00 0.00 0.00 46.02 47.09 1s72 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s72 n ASP 45 N 4.50 1.15 -3.98 1.61 5.75 -1.26 -4.95 116.55 119.37 1s72 n ASP 45 Ca 0.00 -0.93 -0.13 0.00 -0.01 0.00 0.00 54.79 53.72 1s72 n ASP 45 Cb 0.00 0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.44 1s72 n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1s72 s THR 46 N -2.74 0.31 -0.03 2.12 -4.23 -0.82 -1.57 115.64 108.67 1s72 s THR 46 Ca 0.15 -0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 1s72 s THR 46 Cb 0.18 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 1s72 s THR 46 CO 0.67 -0.20 0.48 -0.69 -0.54 0.00 0.00 174.62 174.34 1s72 s VAL 47 N -0.80 5.01 -0.11 2.29 1.01 -0.08 -0.22 120.40 127.50 1s72 s VAL 47 Ca -0.06 1.00 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1s72 s VAL 47 Cb -0.06 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1s72 s VAL 47 CO -0.00 0.47 -0.17 -0.69 0.00 0.00 0.00 175.10 174.71 1s72 s VAL 48 N -0.41 2.68 -0.25 2.92 1.01 0.11 -0.93 120.40 125.53 1s72 s VAL 48 Ca 0.26 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1s72 s VAL 48 Cb -0.17 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1s72 s VAL 48 CO 0.14 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 175.04 1s72 s ILE 49 N 0.20 2.12 0.08 2.22 1.01 -0.69 -1.31 121.20 124.84 1s72 s ILE 49 Ca -0.11 -1.53 -0.01 0.00 0.00 0.00 0.00 60.65 59.00 1s72 s ILE 49 Cb -0.16 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1s72 s ILE 49 CO 0.06 0.03 -0.00 -1.83 0.00 0.00 0.00 174.94 173.20 1s72 s GLU 50 N 1.14 0.73 -0.09 2.79 -1.05 -0.57 -0.74 118.70 120.91 1s72 s GLU 50 Ca -0.07 -1.30 -0.31 0.00 -0.15 0.00 0.00 54.97 53.14 1s72 s GLU 50 Cb -0.19 0.20 0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1s72 s GLU 50 CO -0.06 -0.16 0.79 0.45 0.95 0.00 0.00 175.26 177.24 1s72 s SER 51 N -2.97 -0.56 0.00 0.83 0.15 -0.24 -0.80 113.70 110.11 1s72 s SER 51 Ca 0.13 0.60 0.29 0.00 0.70 0.00 0.00 55.95 57.67 1s72 s SER 51 Cb 0.08 0.46 1.18 0.00 -1.71 0.00 0.00 66.02 66.02 1s72 s SER 51 CO -0.06 -0.51 1.86 0.47 1.20 0.00 0.00 173.24 176.20 1s72 n ASP 52 N 0.84 0.16 -4.80 5.45 8.00 -1.26 -0.96 116.55 123.98 1s72 n ASP 52 Ca -0.16 0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 1s72 n ASP 52 Cb 0.57 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.35 1s72 n ASP 52 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s72 s GLU 53 N -2.82 2.97 -0.03 -1.24 2.02 -1.26 -4.76 118.70 113.58 1s72 s GLU 53 Ca 0.19 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.54 1s72 s GLU 53 Cb 0.19 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 31.74 1s72 s GLU 53 CO 0.53 0.55 0.93 -0.40 0.02 0.00 0.00 175.26 176.89 1s72 n ASP 54 N 0.25 1.33 -4.73 -0.19 5.75 -1.26 -4.32 116.55 113.39 1s72 n ASP 54 Ca -0.08 -2.05 -0.33 0.00 -0.01 0.00 0.00 54.79 52.32 1s72 n ASP 54 Cb 0.52 -0.14 0.10 0.00 -1.03 0.00 0.00 41.12 40.57 1s72 n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1s72 s ASN 55 N -1.25 4.14 0.27 -1.12 2.20 -1.26 -4.68 114.94 113.24 1s72 s ASN 55 Ca 0.08 2.20 -0.01 0.00 -0.94 0.00 0.00 52.86 54.18 1s72 s ASN 55 Cb 0.07 -2.57 0.61 0.00 -2.00 0.00 0.00 41.25 37.36 1s72 s ASN 55 CO 0.01 -2.29 1.63 0.00 -2.94 0.00 0.00 177.10 173.51 1s72 h ALA 56 N -0.65 1.08 -0.33 3.54 0.00 -1.99 -0.06 119.26 120.85 1s72 h ALA 56 Ca -0.46 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1s72 h ALA 56 Cb 1.27 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1s72 h ALA 56 CO 0.49 -0.46 0.08 0.87 0.00 0.00 0.00 179.25 180.22 1s72 h LYS 57 N 0.14 0.48 -0.12 0.00 1.57 -2.00 -1.64 116.57 115.00 1s72 h LYS 57 Ca 0.51 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 59.05 1s72 h LYS 57 Cb 0.98 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1s72 h LYS 57 CO -0.69 0.45 -0.58 1.15 -0.57 0.00 0.00 179.45 179.21 1s72 h THR 58 N 0.47 1.34 -0.42 -0.16 2.02 -1.37 -3.11 112.91 111.67 1s72 h THR 58 Ca 0.11 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.37 1s72 h THR 58 Cb 0.19 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1s72 h THR 58 CO -0.00 0.57 0.03 0.24 0.37 0.00 0.00 175.52 176.73 1s72 h MET 59 N 0.23 0.66 -0.36 6.66 2.86 -1.15 -1.74 114.93 122.09 1s72 h MET 59 Ca -0.04 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1s72 h MET 59 Cb 1.22 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1s72 h MET 59 CO 0.12 0.66 0.17 0.77 1.06 0.00 0.00 176.91 179.69 1s72 h SER 60 N 0.64 0.25 0.28 1.22 0.02 -1.29 -1.44 113.55 113.22 1s72 h SER 60 Ca 0.13 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 1s72 h SER 60 Cb 0.35 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1s72 h SER 60 CO 0.01 0.18 -0.67 0.74 -1.14 0.00 0.00 176.83 175.95 1s72 h THR 61 N 0.36 1.38 0.06 -2.27 2.02 -1.43 -2.20 112.91 110.83 1s72 h THR 61 Ca 0.16 -2.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.26 1s72 h THR 61 Cb 0.08 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1s72 h THR 61 CO -0.12 0.62 -0.03 0.40 0.37 0.00 0.00 175.52 176.76 1s72 h ILE 62 N 0.26 0.94 -0.55 3.11 2.04 -1.05 0.29 117.51 122.55 1s72 h ILE 62 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1s72 h ILE 62 Cb 1.22 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1s72 h ILE 62 CO 0.11 0.00 0.36 1.23 0.00 0.00 0.00 178.15 179.86 1s72 h GLY 63 N -0.08 0.71 0.98 5.37 0.00 -1.21 -1.30 103.07 107.52 1s72 h GLY 63 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 1s72 h GLY 63 CO 0.01 0.21 -0.33 -0.84 0.00 0.00 0.00 176.54 175.59 1s72 h THR 64 N 0.62 1.31 -0.63 4.70 2.02 -0.69 -2.79 112.91 117.45 1s72 h THR 64 Ca 0.22 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1s72 h THR 64 Cb 0.11 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1s72 h THR 64 CO -0.06 0.48 0.35 -0.26 0.37 0.00 0.00 175.52 176.41 1s72 h PHE 65 N 0.43 0.86 0.17 3.16 0.05 0.17 -1.67 116.94 120.10 1s72 h PHE 65 Ca 0.03 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1s72 h PHE 65 Cb 0.91 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 38.56 1s72 h PHE 65 CO 0.08 0.61 -0.37 0.37 -0.18 0.00 0.00 178.31 178.81 1s72 h GLN 66 N 0.86 -0.57 -0.15 1.51 4.15 -1.18 -0.17 115.11 119.56 1s72 h GLN 66 Ca 0.22 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.73 1s72 h GLN 66 Cb 0.03 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1s72 h GLN 66 CO -0.04 -0.38 0.15 0.77 -1.93 0.00 0.00 178.83 177.40 1s72 h SER 67 N -0.59 0.00 -0.34 -0.69 0.02 -1.40 -0.04 113.55 110.51 1s72 h SER 67 Ca -0.02 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1s72 h SER 67 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1s72 h SER 67 CO -0.16 0.00 -0.42 0.45 -1.14 0.00 0.00 176.83 175.57 1s72 h HIS 68 N 0.00 1.06 -0.04 3.45 3.86 -0.28 -1.11 115.15 122.09 1s72 h HIS 68 Ca 0.07 -0.34 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 1s72 h HIS 68 Cb 0.37 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1s72 h HIS 68 CO 0.00 1.16 -0.12 0.82 0.86 0.00 0.00 177.93 180.64 1s72 h ILE 69 N 0.67 1.46 -0.79 2.45 2.04 0.60 -2.58 117.51 121.36 1s72 h ILE 69 Ca 0.04 -1.55 0.07 0.00 1.00 0.00 0.00 64.86 64.42 1s72 h ILE 69 Cb 1.01 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 39.43 1s72 h ILE 69 CO 0.10 0.42 0.46 -0.33 0.00 0.00 0.00 178.15 178.81 1s72 h GLU 70 N -0.42 0.80 -0.45 2.37 5.08 -1.13 0.17 114.58 120.99 1s72 h GLU 70 Ca -0.00 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1s72 h GLU 70 Cb 0.75 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1s72 h GLU 70 CO 0.03 0.53 0.31 -0.91 -1.00 0.00 0.00 179.01 177.96 1s72 h ASN 71 N 0.82 0.30 -0.14 1.42 4.21 -1.16 -0.72 115.58 120.31 1s72 h ASN 71 Ca 0.36 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.66 1s72 h ASN 71 Cb 0.24 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 37.39 1s72 h ASN 71 CO -0.20 0.20 -0.75 0.24 -1.29 0.00 0.00 177.43 175.62 1s72 h MET 72 N 0.35 0.76 -0.25 0.81 2.86 -0.33 -1.32 114.93 117.81 1s72 h MET 72 Ca 0.20 -0.63 0.05 0.00 -2.06 0.00 0.00 59.70 57.26 1s72 h MET 72 Cb 0.35 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1s72 h MET 72 CO -0.05 1.24 -0.04 0.74 1.06 0.00 0.00 176.91 179.86 1s72 h PHE 73 N 0.48 -0.09 -0.78 -0.22 0.05 0.23 -1.71 116.94 114.90 1s72 h PHE 73 Ca -0.05 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.73 1s72 h PHE 73 Cb 1.39 0.08 -0.04 0.00 2.00 0.00 0.00 35.95 39.38 1s72 h PHE 73 CO 0.09 -0.09 0.39 1.25 -0.18 0.00 0.00 178.31 179.78 1s72 h HIS 74 N 0.02 1.10 0.00 -0.55 2.76 -1.12 -2.96 115.15 114.41 1s72 h HIS 74 Ca 0.12 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 1s72 h HIS 74 Cb 0.17 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1s72 h HIS 74 CO -0.23 0.79 -0.39 0.78 -1.30 0.00 0.00 177.93 177.58 1s72 h GLY 75 N 1.14 0.00 0.51 5.26 0.00 -0.55 0.19 103.07 109.62 1s72 h GLY 75 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1s72 h GLY 75 CO -0.04 0.00 -0.21 3.33 0.00 0.00 0.00 176.54 179.63 1s72 n VAL 76 N -3.83 0.00 0.00 4.60 0.24 -0.71 -3.73 118.33 114.90 1s72 n VAL 76 Ca -0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1s72 n VAL 76 Cb 0.45 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1s72 n VAL 76 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1s72 n THR 77 N -0.79 0.00 0.10 3.34 -2.24 -1.09 -0.26 114.28 113.34 1s72 n THR 77 Ca 0.13 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 1s72 n THR 77 Cb 0.32 -0.12 0.38 0.00 -2.10 0.00 0.00 70.33 68.81 1s72 n THR 77 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s72 h GLU 78 N 0.00 0.29 0.00 -0.78 5.08 -1.64 -3.40 114.58 114.13 1s72 h GLU 78 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1s72 h GLU 78 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1s72 h GLU 78 CO 0.00 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 1s72 n GLY 79 N -0.90 -1.08 3.26 -3.84 0.00 0.61 -4.97 105.19 98.25 1s72 n GLY 79 Ca -0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1s72 n GLY 79 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s72 s TRP 80 N -1.88 2.37 -0.01 1.61 0.52 -0.32 -4.71 118.94 116.52 1s72 s TRP 80 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.42 1s72 s TRP 80 Cb 0.00 -1.56 0.01 0.00 -1.15 0.00 0.00 33.47 30.78 1s72 s TRP 80 CO 0.00 -0.21 0.01 -1.21 0.02 0.00 0.00 176.95 175.56 1s72 s GLU 81 N -0.15 0.04 -0.04 4.98 2.02 -1.26 -1.65 118.70 122.64 1s72 s GLU 81 Ca -0.03 0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.07 1s72 s GLU 81 Cb -0.14 -0.17 -0.02 0.00 0.10 0.00 0.00 34.13 33.90 1s72 s GLU 81 CO 0.04 -0.07 -0.18 0.71 0.02 0.00 0.00 175.26 175.77 1s72 s TYR 82 N 0.52 2.58 -0.12 1.61 1.51 0.16 -3.67 117.35 119.93 1s72 s TYR 82 Ca -0.04 -0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1s72 s TYR 82 Cb -0.07 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1s72 s TYR 82 CO -0.01 0.08 0.01 0.20 -1.11 0.00 0.00 175.55 174.71 1s72 s GLY 83 N -0.62 1.83 0.13 0.71 0.00 -0.53 -0.69 107.32 108.15 1s72 s GLY 83 Ca 0.09 -0.79 0.06 0.00 0.00 0.00 0.00 44.72 44.08 1s72 s GLY 83 CO 0.00 -0.30 -0.13 1.06 0.00 0.00 0.00 173.10 173.73 1s72 s MET 84 N -0.30 1.06 -0.10 2.90 -1.94 0.10 0.31 119.30 121.33 1s72 s MET 84 Ca 0.06 -1.31 -0.01 0.00 -1.71 0.00 0.00 55.69 52.73 1s72 s MET 84 Cb -0.12 -0.87 0.03 0.00 2.01 0.00 0.00 34.83 35.87 1s72 s MET 84 CO 0.02 0.16 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.92 1s72 s GLU 85 N -2.95 1.28 0.35 2.03 2.02 -0.42 0.13 118.70 121.14 1s72 s GLU 85 Ca 0.11 -0.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 1s72 s GLU 85 Cb -0.03 -1.44 -0.10 0.00 0.10 0.00 0.00 34.13 32.66 1s72 s GLU 85 CO 0.03 -0.28 0.99 0.54 0.02 0.00 0.00 175.26 176.56 1s72 s VAL 86 N 1.78 4.01 -0.11 2.63 0.11 -1.16 -2.11 120.40 125.55 1s72 s VAL 86 Ca 0.05 1.61 -0.11 0.00 -2.93 0.00 0.00 61.98 60.60 1s72 s VAL 86 Cb -0.13 -3.87 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 1s72 s VAL 86 CO -0.07 0.08 0.31 0.12 -3.33 0.00 0.00 175.10 172.21 1s72 s PHE 87 N -1.64 -0.34 0.06 1.54 5.36 -0.65 -4.91 117.98 117.40 1s72 s PHE 87 Ca 0.53 0.82 -0.11 0.00 -0.96 0.00 0.00 56.93 57.21 1s72 s PHE 87 Cb -0.20 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1s72 s PHE 87 CO 0.25 -0.17 0.24 1.52 -1.46 0.00 0.00 175.22 175.60 1s72 s TYR 88 N 0.12 0.02 -0.14 10.12 -0.85 -1.26 -1.28 117.35 124.08 1s72 s TYR 88 Ca -0.00 -0.28 0.02 0.00 -0.52 0.00 0.00 57.07 56.29 1s72 s TYR 88 Cb -0.02 0.02 -0.10 0.00 0.38 0.00 0.00 41.96 42.23 1s72 s TYR 88 CO 0.01 -0.50 -0.11 -1.13 -1.52 0.00 0.00 175.55 172.29 1s72 n SER 89 N 0.40 2.81 0.00 -0.18 3.41 -1.26 -4.93 113.62 113.87 1s72 n SER 89 Ca -0.18 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1s72 n SER 89 Cb 0.60 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1s72 n SER 89 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1s72 n HIS 90 N -2.88 0.00 -3.40 7.33 -0.00 -1.26 -5.03 115.22 109.99 1s72 n HIS 90 Ca -0.25 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.08 1s72 n HIS 90 Cb 0.78 0.06 -0.09 0.00 -0.00 0.00 0.00 29.99 30.75 1s72 n HIS 90 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1s72 s PHE 91 N -1.97 3.27 -0.33 1.57 0.40 -1.26 -5.01 117.98 114.64 1s72 s PHE 91 Ca 0.00 0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 56.50 1s72 s PHE 91 Cb 0.00 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 1s72 s PHE 91 CO 0.00 -0.18 2.12 -2.14 0.70 0.00 0.00 175.22 175.72 1s72 s PRO 92 N 1.92 2.93 0.09 0.24 0.02 -1.26 -4.72 135.00 134.21 1s72 s PRO 92 Ca 0.15 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 1s72 s PRO 92 Cb -0.16 -4.37 -0.06 0.00 0.02 0.00 0.00 34.50 29.93 1s72 s PRO 92 CO 0.09 -2.34 1.11 1.41 -0.33 0.00 0.00 177.00 176.94 1s72 s MET 93 N 6.62 4.53 -0.27 5.54 1.75 -1.26 -4.78 119.30 131.44 1s72 s MET 93 Ca 0.92 1.66 -0.03 0.00 -1.25 0.00 0.00 55.69 56.99 1s72 s MET 93 Cb -0.25 -3.35 0.02 0.00 2.84 0.00 0.00 34.83 34.09 1s72 s MET 93 CO 0.32 -0.08 -0.02 -0.65 -0.65 0.00 0.00 175.02 173.94 1s72 s GLN 94 N 0.53 2.86 -0.26 4.11 -0.21 -0.75 -4.98 119.66 120.96 1s72 s GLN 94 Ca 0.54 -0.97 -0.06 0.00 0.02 0.00 0.00 55.36 54.89 1s72 s GLN 94 Cb -0.27 -3.10 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 1s72 s GLN 94 CO 0.31 -0.43 0.03 0.08 -2.12 0.00 0.00 175.29 173.16 1s72 s VAL 95 N 1.36 3.80 0.10 1.09 1.01 -1.26 -0.16 120.40 126.35 1s72 s VAL 95 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1s72 s VAL 95 Cb -0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1s72 s VAL 95 CO -0.02 0.26 -0.13 0.20 0.00 0.00 0.00 175.10 175.41 1s72 s ASN 96 N 1.51 1.80 -0.33 3.32 -0.87 0.45 -4.99 114.94 115.84 1s72 s ASN 96 Ca 0.04 -0.76 -0.12 0.00 -1.57 0.00 0.00 52.86 50.45 1s72 s ASN 96 Cb -0.16 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.25 41.01 1s72 s ASN 96 CO 0.01 -0.15 0.22 -0.69 -2.57 0.00 0.00 177.10 173.92 1s72 s VAL 97 N -2.00 5.15 -0.29 1.60 1.01 -1.26 0.47 120.40 125.08 1s72 s VAL 97 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1s72 s VAL 97 Cb -0.06 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.77 1s72 s VAL 97 CO 0.02 0.00 0.07 -1.61 0.00 0.00 0.00 175.10 173.59 1s72 s GLU 98 N 1.70 0.85 4.33 2.72 2.02 -0.81 -4.97 118.70 124.54 1s72 s GLU 98 Ca 0.06 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1s72 s GLU 98 Cb -0.17 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1s72 s GLU 98 CO 0.10 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.88 1s72 n GLY 99 N 4.81 1.09 1.01 -1.39 0.00 -1.26 -3.63 105.19 105.82 1s72 n GLY 99 Ca -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 1s72 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s72 n ASP 100 N 4.95 2.55 -3.76 1.61 8.00 -1.26 -4.98 116.55 123.66 1s72 n ASP 100 Ca 0.00 -3.67 -0.13 0.00 0.71 0.00 0.00 54.79 51.70 1s72 n ASP 100 Cb 0.00 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 1s72 n ASP 100 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1s72 s GLU 101 N -3.18 0.48 -0.10 -1.24 -1.05 -1.24 -0.10 118.70 112.27 1s72 s GLU 101 Ca 0.43 0.25 -0.19 0.00 -0.15 0.00 0.00 54.97 55.31 1s72 s GLU 101 Cb 0.39 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 34.26 1s72 s GLU 101 CO 0.00 -0.09 0.53 0.54 0.95 0.00 0.00 175.26 177.19 1s72 s VAL 102 N -0.31 5.15 -0.08 1.83 0.11 -0.69 -1.92 120.40 124.48 1s72 s VAL 102 Ca -0.04 1.08 -0.00 0.00 -2.93 0.00 0.00 61.98 60.08 1s72 s VAL 102 Cb -0.03 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 1s72 s VAL 102 CO 0.02 0.31 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.35 1s72 s VAL 103 N 0.64 3.75 -0.16 2.04 1.01 0.18 -2.70 120.40 125.16 1s72 s VAL 103 Ca 0.29 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1s72 s VAL 103 Cb -0.16 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1s72 s VAL 103 CO 0.12 0.58 -0.20 -0.63 0.00 0.00 0.00 175.10 174.98 1s72 s ILE 104 N -0.61 1.98 0.22 2.22 1.01 0.12 -0.41 121.20 125.73 1s72 s ILE 104 Ca 0.09 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1s72 s ILE 104 Cb -0.12 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1s72 s ILE 104 CO 0.02 0.53 0.01 -1.61 0.00 0.00 0.00 174.94 173.89 1s72 s GLU 105 N 1.10 2.38 -1.57 2.79 2.02 0.78 -0.75 118.70 125.45 1s72 s GLU 105 Ca -0.00 -1.24 -0.04 0.00 0.02 0.00 0.00 54.97 53.71 1s72 s GLU 105 Cb -0.14 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.82 1s72 s GLU 105 CO -0.08 0.41 0.40 -1.71 0.02 0.00 0.00 175.26 174.31 1s72 n ASN 106 N -0.52 -5.73 -4.68 -0.19 4.05 -1.22 -1.82 115.26 105.16 1s72 n ASN 106 Ca -0.08 -0.20 -0.42 0.00 0.45 0.00 0.00 54.58 54.33 1s72 n ASN 106 Cb 0.57 -4.68 -0.03 0.00 1.23 0.00 0.00 39.78 36.87 1s72 n ASN 106 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1s72 s PHE 107 N -3.09 2.57 -0.74 1.20 5.36 -1.26 -2.37 117.98 119.64 1s72 s PHE 107 Ca 0.21 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1s72 s PHE 107 Cb -0.10 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 1s72 s PHE 107 CO 0.27 -2.94 0.00 1.28 -1.46 0.00 0.00 175.22 172.37 1s72 n LEU 108 N 5.97 -0.78 0.00 6.12 4.32 -1.26 0.39 117.00 131.76 1s72 n LEU 108 Ca 0.15 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1s72 n LEU 108 Cb 0.43 -1.77 0.00 0.00 -1.62 0.00 0.00 43.42 40.46 1s72 n LEU 108 CO 0.60 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 1s72 n GLY 109 N -0.67 1.23 3.63 -0.72 0.00 -1.00 -5.01 105.19 102.64 1s72 n GLY 109 Ca -0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 1s72 n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s72 n GLU 110 N -2.00 1.64 0.08 1.61 1.02 0.16 -4.89 120.64 118.26 1s72 n GLU 110 Ca 0.00 0.58 -0.12 0.00 -0.02 0.00 0.00 57.16 57.60 1s72 n GLU 110 Cb 0.00 -2.13 -0.13 0.00 -0.02 0.00 0.00 31.44 29.15 1s72 n GLU 110 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1s72 h LYS 111 N 3.45 0.16 -5.82 3.49 1.57 -1.95 -3.23 116.57 114.23 1s72 h LYS 111 Ca -0.44 -0.28 -0.59 0.00 -1.87 0.00 0.00 60.65 57.48 1s72 h LYS 111 Cb 1.31 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.64 1s72 h LYS 111 CO 0.70 1.11 0.40 0.00 -0.57 0.00 0.00 179.45 181.10 1s72 s ALA 112 N -2.67 3.59 0.28 3.86 0.00 -1.26 -4.86 121.76 120.69 1s72 s ALA 112 Ca -0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1s72 s ALA 112 Cb 0.08 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 1s72 s ALA 112 CO 0.86 -0.78 1.47 -2.14 0.00 0.00 0.00 175.76 175.16 1s72 s PRO 113 N 2.49 4.23 -0.01 0.00 0.02 -1.26 -4.81 135.00 135.65 1s72 s PRO 113 Ca 0.35 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 63.66 1s72 s PRO 113 Cb -0.16 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 1s72 s PRO 113 CO 0.09 -0.46 0.31 1.03 -0.33 0.00 0.00 177.00 177.64 1s72 s ARG 114 N -0.68 3.69 0.24 5.54 0.52 0.07 -4.93 118.95 123.40 1s72 s ARG 114 Ca 0.59 0.12 -0.07 0.00 -0.52 0.00 0.00 55.73 55.84 1s72 s ARG 114 Cb -0.43 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1s72 s ARG 114 CO 0.47 0.68 0.35 -0.98 0.02 0.00 0.00 175.30 175.84 1s72 s ARG 115 N -1.38 1.46 -0.18 3.54 1.70 -1.26 0.11 118.95 122.94 1s72 s ARG 115 Ca 0.24 -1.45 -0.27 0.00 -0.47 0.00 0.00 55.73 53.77 1s72 s ARG 115 Cb -0.14 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.71 1s72 s ARG 115 CO 0.13 -0.57 0.75 -0.08 -1.08 0.00 0.00 175.30 174.45 1s72 s THR 116 N -3.97 0.00 -0.08 4.99 -1.32 -1.10 -5.03 115.64 109.14 1s72 s THR 116 Ca 0.30 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.59 1s72 s THR 116 Cb 0.02 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1s72 s THR 116 CO 0.11 0.00 0.50 -0.89 -2.21 0.00 0.00 174.62 172.13 1s72 s THR 117 N -0.29 5.11 0.44 5.08 2.01 -1.26 -1.70 115.64 125.02 1s72 s THR 117 Ca -0.04 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.72 1s72 s THR 117 Cb -0.03 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1s72 s THR 117 CO 0.04 0.37 1.26 -0.63 -0.69 0.00 0.00 174.62 174.97 1s72 s ILE 118 N 0.25 2.72 -0.15 1.82 1.01 0.85 -4.95 121.20 122.74 1s72 s ILE 118 Ca 0.27 0.60 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 1s72 s ILE 118 Cb -0.16 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1s72 s ILE 118 CO 0.12 0.05 0.35 -1.00 0.00 0.00 0.00 174.94 174.46 1s72 s HIS 119 N -1.35 3.47 0.00 3.97 3.76 -1.26 -4.93 115.29 118.95 1s72 s HIS 119 Ca 0.60 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1s72 s HIS 119 Cb -0.35 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 30.92 1s72 s HIS 119 CO 0.44 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.94 1s72 n GLY 120 N 3.41 1.65 2.11 -2.22 0.00 -1.26 -2.95 105.19 105.93 1s72 n GLY 120 Ca -0.10 -0.46 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 1s72 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s72 n ASP 121 N -1.77 6.08 -4.73 1.61 8.00 -1.26 -4.92 116.55 119.57 1s72 n ASP 121 Ca 0.00 -2.92 -0.37 0.00 0.71 0.00 0.00 54.79 52.20 1s72 n ASP 121 Cb 0.00 -1.21 -0.06 0.00 -0.02 0.00 0.00 41.12 39.82 1s72 n ASP 121 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s72 s THR 122 N -1.31 5.23 -0.20 -3.53 2.01 -1.15 -4.60 115.64 112.08 1s72 s THR 122 Ca 0.47 0.79 -0.12 0.00 0.31 0.00 0.00 61.69 63.14 1s72 s THR 122 Cb 0.29 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1s72 s THR 122 CO -0.09 0.36 0.24 -1.81 -0.69 0.00 0.00 174.62 172.63 1s72 s ASP 123 N 0.49 6.30 -0.55 3.53 1.01 0.25 -4.89 116.67 122.81 1s72 s ASP 123 Ca 0.22 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.83 1s72 s ASP 123 Cb -0.14 -2.15 0.14 0.00 1.01 0.00 0.00 42.92 41.78 1s72 s ASP 123 CO 0.08 0.07 0.33 -0.69 0.21 0.00 0.00 175.17 175.17 1s72 s VAL 124 N 0.76 3.13 -0.14 -1.27 1.01 -1.26 -0.85 120.40 121.78 1s72 s VAL 124 Ca 0.13 -3.04 -0.16 0.00 0.00 0.00 0.00 61.98 58.91 1s72 s VAL 124 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1s72 s VAL 124 CO 0.03 -0.82 0.38 -1.61 0.00 0.00 0.00 175.10 173.09 1s72 s GLU 125 N -0.05 4.30 -0.12 2.72 2.02 -0.72 -4.92 118.70 121.94 1s72 s GLU 125 Ca 0.16 0.27 0.03 0.00 0.02 0.00 0.00 54.97 55.44 1s72 s GLU 125 Cb -0.23 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.56 1s72 s GLU 125 CO -0.02 0.19 -0.20 -1.50 0.02 0.00 0.00 175.26 173.74 1s72 s ILE 126 N 0.58 2.36 -0.29 -1.63 2.07 -1.26 -1.22 121.20 121.81 1s72 s ILE 126 Ca 0.21 -0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 58.53 1s72 s ILE 126 Cb -0.14 -1.94 0.09 0.00 0.13 0.00 0.00 42.46 40.61 1s72 s ILE 126 CO 0.07 0.55 0.08 -0.62 -1.91 0.00 0.00 174.94 173.11 1s72 s ASP 127 N 0.43 3.80 1.59 4.50 -1.08 -0.01 -5.03 116.67 120.87 1s72 s ASP 127 Ca -0.15 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 1s72 s ASP 127 Cb -0.17 -0.79 0.00 0.00 -1.46 0.00 0.00 42.92 40.50 1s72 s ASP 127 CO 0.06 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 175.97 1s72 n GLY 128 N 4.91 2.61 1.53 2.66 0.00 -1.26 -1.96 105.19 113.67 1s72 n GLY 128 Ca -0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1s72 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s72 n GLU 129 N 13.42 2.53 -4.71 1.61 -0.58 -1.26 -4.85 120.64 126.80 1s72 n GLU 129 Ca 0.00 -1.82 -0.23 0.00 -0.42 0.00 0.00 57.16 54.68 1s72 n GLU 129 Cb 0.00 -1.83 -0.15 0.00 -0.57 0.00 0.00 31.44 28.89 1s72 n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1s72 s GLU 130 N -2.00 1.30 0.06 3.49 2.02 -0.83 -2.96 118.70 119.78 1s72 s GLU 130 Ca 0.33 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.85 1s72 s GLU 130 Cb 0.27 -1.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 1s72 s GLU 130 CO 0.08 0.30 -0.19 -0.51 0.02 0.00 0.00 175.26 174.97 1s72 s LEU 131 N -0.27 2.21 -0.12 1.80 1.43 0.12 -0.83 118.68 123.02 1s72 s LEU 131 Ca 0.04 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1s72 s LEU 131 Cb -0.07 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.36 1s72 s LEU 131 CO -0.00 0.09 0.00 0.28 0.23 0.00 0.00 176.35 176.95 1s72 s THR 132 N -0.94 0.52 -0.23 5.49 -1.32 -0.36 0.02 115.64 118.81 1s72 s THR 132 Ca 0.05 -0.19 -0.08 0.00 -1.21 0.00 0.00 61.69 60.26 1s72 s THR 132 Cb -0.09 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 1s72 s THR 132 CO 0.02 0.09 0.09 -0.69 -2.21 0.00 0.00 174.62 171.93 1s72 s VAL 133 N 1.89 4.72 0.11 5.08 1.01 0.13 -1.75 120.40 131.59 1s72 s VAL 133 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1s72 s VAL 133 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1s72 s VAL 133 CO -0.07 0.37 0.19 -0.94 0.00 0.00 0.00 175.10 174.66 1s72 s SER 134 N 1.12 0.14 0.00 3.32 1.04 -0.03 0.37 113.70 119.66 1s72 s SER 134 Ca 0.05 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1s72 s SER 134 Cb -0.14 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1s72 s SER 134 CO 0.04 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1s72 n GLY 135 N -0.09 -0.73 0.11 7.32 0.00 -0.66 0.85 105.19 111.99 1s72 n GLY 135 Ca -0.13 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.82 1s72 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s72 h PRO 136 N 0.00 0.00 -4.67 1.61 0.13 -1.82 -0.83 132.00 126.43 1s72 h PRO 136 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 1s72 h PRO 136 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 1s72 h PRO 136 CO 0.00 0.10 0.12 0.34 -0.23 0.00 0.00 178.00 178.33 1s72 s ASP 137 N -5.52 6.19 0.38 1.44 -1.08 -1.26 -4.19 116.67 112.63 1s72 s ASP 137 Ca -0.01 -1.46 0.09 0.00 -0.52 0.00 0.00 52.55 50.64 1s72 s ASP 137 Cb 0.09 -2.30 0.84 0.00 -1.46 0.00 0.00 42.92 40.10 1s72 s ASP 137 CO 0.80 -1.11 1.95 -0.29 0.52 0.00 0.00 175.17 177.04 1s72 h ILE 138 N 5.91 0.96 0.33 4.11 2.10 -1.87 -1.24 117.51 127.80 1s72 h ILE 138 Ca -0.29 -0.22 -0.00 0.00 1.08 0.00 0.00 64.86 65.43 1s72 h ILE 138 Cb 1.09 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1s72 h ILE 138 CO 1.10 0.12 -0.30 -0.33 -1.08 0.00 0.00 178.15 177.66 1s72 h GLU 139 N 0.63 -0.62 -0.08 2.19 4.39 -1.99 0.80 114.58 119.90 1s72 h GLU 139 Ca 0.32 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1s72 h GLU 139 Cb 0.41 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1s72 h GLU 139 CO -0.11 -0.41 0.06 0.00 -1.16 0.00 0.00 179.01 177.38 1s72 h ALA 140 N -0.09 0.11 -0.10 3.43 0.00 -1.71 -1.97 119.26 118.93 1s72 h ALA 140 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s72 h ALA 140 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s72 h ALA 140 CO -0.04 -0.40 0.05 0.28 0.00 0.00 0.00 179.25 179.13 1s72 h VAL 141 N 0.11 1.11 -0.72 0.00 2.07 -1.20 -0.91 116.25 116.70 1s72 h VAL 141 Ca 0.03 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1s72 h VAL 141 Cb -0.01 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1s72 h VAL 141 CO -0.01 0.10 0.36 1.23 0.02 0.00 0.00 177.57 179.27 1s72 h GLY 142 N 0.04 1.09 0.84 2.17 0.00 -0.76 -0.61 103.07 105.84 1s72 h GLY 142 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1s72 h GLY 142 CO -0.00 0.04 -0.08 1.46 0.00 0.00 0.00 176.54 177.96 1s72 h GLN 143 N 0.59 0.48 -0.88 4.80 1.08 -1.15 -1.06 115.11 118.97 1s72 h GLN 143 Ca 0.36 -0.19 0.07 0.00 -1.45 0.00 0.00 58.65 57.44 1s72 h GLN 143 Cb 0.40 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 1s72 h GLN 143 CO -0.28 0.72 0.54 1.15 -0.95 0.00 0.00 178.83 180.01 1s72 h THR 144 N 0.21 1.02 0.29 -0.54 2.02 -0.68 0.98 112.91 116.21 1s72 h THR 144 Ca 0.06 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1s72 h THR 144 Cb 0.56 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1s72 h THR 144 CO 0.03 0.18 -0.14 0.00 0.37 0.00 0.00 175.52 175.96 1s72 h ALA 145 N 1.43 -0.39 -0.20 6.16 0.00 -1.00 -2.25 119.26 123.00 1s72 h ALA 145 Ca 0.39 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1s72 h ALA 145 Cb 0.22 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1s72 h ALA 145 CO -0.19 -0.62 -0.12 0.00 0.00 0.00 0.00 179.25 178.32 1s72 h ALA 146 N 0.06 0.04 -0.90 0.00 0.00 -0.31 -1.25 119.26 116.91 1s72 h ALA 146 Ca -0.04 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1s72 h ALA 146 Cb 0.43 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1s72 h ALA 146 CO 0.07 -0.54 0.58 -0.44 0.00 0.00 0.00 179.25 178.91 1s72 h ASP 147 N -0.11 0.72 -0.07 0.00 3.32 1.00 0.35 116.42 121.63 1s72 h ASP 147 Ca 0.11 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s72 h ASP 147 Cb 0.28 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1s72 h ASP 147 CO -0.27 0.39 0.04 0.40 -1.72 0.00 0.00 179.24 178.08 1s72 h ILE 148 N 0.78 1.08 -0.47 0.35 2.04 -0.62 0.28 117.51 120.95 1s72 h ILE 148 Ca 0.44 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 1s72 h ILE 148 Cb 0.59 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1s72 h ILE 148 CO -0.20 0.07 0.17 -0.08 0.00 0.00 0.00 178.15 178.11 1s72 h GLU 149 N 0.03 0.73 -0.64 2.37 4.81 -0.51 -2.37 114.58 118.98 1s72 h GLU 149 Ca 0.03 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1s72 h GLU 149 Cb 0.08 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1s72 h GLU 149 CO -0.00 0.67 0.43 1.96 -0.73 0.00 0.00 179.01 181.34 1s72 h GLN 150 N 0.63 0.81 -0.16 1.92 1.08 -0.15 -2.28 115.11 116.95 1s72 h GLN 150 Ca 0.16 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.35 1s72 h GLN 150 Cb 0.24 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1s72 h GLN 150 CO -0.01 0.53 0.35 1.25 -0.95 0.00 0.00 178.83 180.01 1s72 h LEU 151 N 0.83 0.00 -3.23 1.46 5.85 0.12 0.24 115.31 120.57 1s72 h LEU 151 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1s72 h LEU 151 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1s72 h LEU 151 CO -0.06 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.39 1s72 n THR 152 N -3.26 2.06 -1.85 1.05 -2.24 -0.86 -4.96 114.28 104.23 1s72 n THR 152 Ca 0.02 -1.42 -0.40 0.00 -2.27 0.00 0.00 64.05 59.97 1s72 n THR 152 Cb 0.45 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.67 1s72 n THR 152 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1s72 s ARG 153 N -2.22 3.79 -0.03 -0.78 3.52 0.84 -4.84 118.95 119.22 1s72 s ARG 153 Ca 0.45 2.39 0.01 0.00 -0.13 0.00 0.00 55.73 58.45 1s72 s ARG 153 Cb 0.32 -2.71 0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1s72 s ARG 153 CO 0.17 -0.72 -0.03 -1.50 -0.81 0.00 0.00 175.30 172.40 1s72 s ILE 154 N -1.20 0.40 -0.05 4.11 2.07 -1.26 -5.03 121.20 120.24 1s72 s ILE 154 Ca 0.59 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.79 1s72 s ILE 154 Cb -0.43 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 1s72 s ILE 154 CO 0.56 0.19 -0.02 0.59 -1.91 0.00 0.00 174.94 174.34 1s72 n ASN 155 N 3.96 3.78 -0.27 4.50 3.02 -1.26 -4.75 115.26 124.25 1s72 n ASN 155 Ca -0.25 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.34 1s72 n ASN 155 Cb 0.51 0.23 0.20 0.00 -0.61 0.00 0.00 39.78 40.11 1s72 n ASN 155 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1s72 h ASP 156 N 0.00 0.31 -1.99 6.41 2.03 -2.05 -3.45 116.42 117.69 1s72 h ASP 156 Ca -0.11 0.11 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 1s72 h ASP 156 Cb 1.21 0.08 -0.13 0.00 -0.83 0.00 0.00 39.33 39.66 1s72 h ASP 156 CO -0.01 0.11 -0.62 -0.54 -1.03 0.00 0.00 179.24 177.15 1s72 s LYS 157 N -6.00 1.87 -0.16 4.15 1.02 -1.26 -5.08 119.74 114.27 1s72 s LYS 157 Ca -0.12 -2.03 -0.29 0.00 0.02 0.00 0.00 55.97 53.55 1s72 s LYS 157 Cb 0.21 -1.53 -0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1s72 s LYS 157 CO 0.77 -0.02 2.16 -3.47 -0.92 0.00 0.00 175.35 173.87 1s72 n ASP 158 N -0.87 3.42 0.23 2.83 -0.08 -1.26 -4.88 116.55 115.94 1s72 n ASP 158 Ca -0.05 0.39 0.07 0.00 -1.51 0.00 0.00 54.79 53.69 1s72 n ASP 158 Cb 0.66 -1.53 0.53 0.00 2.34 0.00 0.00 41.12 43.12 1s72 n ASP 158 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1s72 h VAL 159 N 6.76 0.96 0.00 5.18 2.07 -1.89 -1.43 116.25 127.90 1s72 h VAL 159 Ca -0.43 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1s72 h VAL 159 Cb 1.25 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1s72 h VAL 159 CO 0.96 0.22 -0.14 0.03 0.02 0.00 0.00 177.57 178.65 1s72 h ARG 160 N 0.00 0.00 0.03 1.57 3.08 -2.01 -3.13 114.38 113.93 1s72 h ARG 160 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 1s72 h ARG 160 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1s72 h ARG 160 CO 0.03 0.14 -2.25 0.28 -1.07 0.00 0.00 179.97 177.10 1s72 n VAL 161 N -4.04 1.58 -3.29 2.04 0.31 -0.96 -4.67 118.33 109.31 1s72 n VAL 161 Ca -0.02 -0.51 -0.46 0.00 -0.01 0.00 0.00 64.34 63.33 1s72 n VAL 161 Cb 0.22 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.50 1s72 n VAL 161 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1s72 s PHE 162 N -2.51 3.87 -2.61 3.52 0.40 -0.58 -4.84 117.98 115.23 1s72 s PHE 162 Ca -0.32 -2.18 0.24 0.00 -0.60 0.00 0.00 56.93 54.07 1s72 s PHE 162 Cb 0.09 -3.88 0.50 0.00 0.51 0.00 0.00 43.02 40.24 1s72 s PHE 162 CO 0.63 -1.03 1.43 1.04 0.70 0.00 0.00 175.22 177.99 1s72 n GLN 163 N 3.83 2.19 -1.58 0.44 6.02 -1.22 -4.54 117.38 122.52 1s72 n GLN 163 Ca 0.19 -1.76 -0.37 0.00 -0.01 0.00 0.00 57.00 55.04 1s72 n GLN 163 Cb 0.44 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.29 1s72 n GLN 163 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s72 n ASP 164 N 1.04 0.44 0.00 1.08 9.92 -1.26 -4.91 116.55 122.86 1s72 n ASP 164 Ca 0.17 0.77 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1s72 n ASP 164 Cb 0.52 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 1s72 n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s72 n GLY 165 N 1.36 2.51 3.72 0.44 0.00 -0.40 -4.96 105.19 107.86 1s72 n GLY 165 Ca 0.14 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1s72 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s72 s VAL 166 N -1.74 4.67 0.07 1.61 1.01 -1.26 -1.64 120.40 123.13 1s72 s VAL 166 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1s72 s VAL 166 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1s72 s VAL 166 CO 0.00 0.58 -0.13 -0.31 0.00 0.00 0.00 175.10 175.25 1s72 s TYR 167 N -0.69 1.14 -0.03 5.22 1.51 -0.89 -4.21 117.35 119.38 1s72 s TYR 167 Ca 0.12 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 1s72 s TYR 167 Cb -0.12 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 41.04 1s72 s TYR 167 CO 0.02 0.04 1.51 0.42 -1.11 0.00 0.00 175.55 176.43 1s72 s ILE 168 N -1.51 3.66 -0.25 2.71 -1.09 -1.26 -1.30 121.20 122.16 1s72 s ILE 168 Ca -0.01 0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1s72 s ILE 168 Cb -0.09 -3.61 -0.17 0.00 -1.58 0.00 0.00 42.46 37.01 1s72 s ILE 168 CO 0.02 -0.04 -0.19 0.41 -1.23 0.00 0.00 174.94 173.91 1s72 n THR 169 N 5.07 1.52 -4.21 2.92 -1.04 0.90 -4.93 114.28 114.52 1s72 n THR 169 Ca 0.15 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.37 1s72 n THR 169 Cb 0.43 -1.49 -0.17 0.00 -1.82 0.00 0.00 70.33 67.29 1s72 n THR 169 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1s72 s ARG 170 N -2.52 1.28 -0.16 -2.82 0.52 -0.87 -4.93 118.95 109.44 1s72 s ARG 170 Ca -0.34 -0.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 1s72 s ARG 170 Cb 0.09 -1.23 -0.04 0.00 0.52 0.00 0.00 34.95 34.29 1s72 s ARG 170 CO 0.61 -0.11 0.09 0.15 0.02 0.00 0.00 175.30 176.06 1s72 s LYS 171 N 1.13 3.82 0.00 3.54 1.02 -1.26 -1.45 119.74 126.54 1s72 s LYS 171 Ca -0.07 -0.26 0.04 0.00 0.02 0.00 0.00 55.97 55.70 1s72 s LYS 171 Cb -0.14 -3.23 0.25 0.00 -0.52 0.00 0.00 37.83 34.19 1s72 s LYS 171 CO -0.01 0.44 0.73 -0.35 -0.92 0.00 0.00 175.35 175.23