#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k s SER 2 N 0.00 3.55 -0.18 1.61 0.01 -1.26 -5.12 113.70 112.32 2d8k s SER 2 Ca 0.00 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 2d8k s SER 2 Cb 0.00 -0.64 0.08 0.00 0.21 0.00 0.00 66.02 65.67 2d8k s SER 2 CO 0.00 0.33 0.39 -0.94 0.41 0.00 0.00 173.24 173.43 2d8k s SER 3 N -0.63 -0.23 0.00 2.44 1.04 -1.26 -5.10 113.70 109.96 2d8k s SER 3 Ca 0.10 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2d8k s SER 3 Cb -0.11 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.12 2d8k s SER 3 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2d8k n GLY 4 N 5.10 -0.26 3.62 7.32 0.00 -1.26 -5.09 105.19 114.61 2d8k n GLY 4 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 2d8k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8k s SER 5 N -1.00 -0.99 -0.17 1.61 1.04 -1.26 -5.16 113.70 107.77 2d8k s SER 5 Ca 0.00 1.51 -0.15 0.00 0.48 0.00 0.00 55.95 57.79 2d8k s SER 5 Cb 0.00 1.68 0.05 0.00 0.10 0.00 0.00 66.02 67.85 2d8k s SER 5 CO 0.00 -0.23 0.45 -0.55 0.98 0.00 0.00 173.24 173.89 2d8k s SER 6 N 2.08 -0.48 0.00 7.02 0.15 -1.26 -5.13 113.70 116.08 2d8k s SER 6 Ca -0.08 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2d8k s SER 6 Cb -0.08 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 2d8k s SER 6 CO -0.19 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2d8k n GLY 7 N 3.03 2.77 3.58 9.45 0.00 -1.26 -5.15 105.19 117.61 2d8k n GLY 7 Ca -0.15 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2d8k n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 8 N 0.00 1.93 -0.20 1.61 0.01 -1.26 -5.00 113.70 110.79 2d8k s SER 8 Ca 0.00 1.70 -0.09 0.00 1.31 0.00 0.00 55.95 58.87 2d8k s SER 8 Cb 0.00 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2d8k s SER 8 CO 0.00 -3.64 0.10 0.00 0.41 0.00 0.00 173.24 170.11 2d8k s ARG 9 N -4.60 4.06 0.29 12.44 1.70 -1.26 -4.96 118.95 126.62 2d8k s ARG 9 Ca 0.67 -0.29 0.08 0.00 -0.47 0.00 0.00 55.73 55.72 2d8k s ARG 9 Cb -0.23 -3.33 -0.06 0.00 -0.57 0.00 0.00 34.95 30.76 2d8k s ARG 9 CO 0.61 0.25 -0.09 -1.21 -1.08 0.00 0.00 175.30 173.79 2d8k s GLU 10 N 0.47 1.62 -0.44 3.89 2.02 -1.26 -5.04 118.70 119.96 2d8k s GLU 10 Ca 0.05 -1.82 -0.05 0.00 0.02 0.00 0.00 54.97 53.18 2d8k s GLU 10 Cb -0.12 -1.36 -0.01 0.00 0.10 0.00 0.00 34.13 32.74 2d8k s GLU 10 CO -0.00 0.10 2.93 0.09 0.02 0.00 0.00 175.26 178.40 2d8k n ASN 11 N -0.63 6.37 0.04 -0.19 4.13 -1.26 -4.60 115.26 119.12 2d8k n ASN 11 Ca -0.05 -3.04 0.07 0.00 1.68 0.00 0.00 54.58 53.24 2d8k n ASN 11 Cb 0.63 -1.29 0.50 0.00 -1.54 0.00 0.00 39.78 38.08 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2d8k h LEU 12 N 4.34 0.32 0.00 3.41 3.38 -1.85 -3.41 115.31 121.49 2d8k h LEU 12 Ca 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2d8k h LEU 12 Cb 0.85 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2d8k h LEU 12 CO 0.80 0.22 0.00 0.61 0.09 0.00 0.00 178.44 180.16 2d8k n GLY 13 N -1.51 1.09 3.30 0.83 0.00 -0.83 -3.99 105.19 104.09 2d8k n GLY 13 Ca 0.03 -2.24 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 2d8k n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d8k s ARG 14 N -1.22 1.19 -0.03 1.61 1.70 -1.04 -0.26 118.95 120.90 2d8k s ARG 14 Ca 0.00 -1.39 0.06 0.00 -0.47 0.00 0.00 55.73 53.93 2d8k s ARG 14 Cb 0.00 -1.11 -0.01 0.00 -0.57 0.00 0.00 34.95 33.26 2d8k s ARG 14 CO 0.00 0.21 -0.22 -1.50 -1.08 0.00 0.00 175.30 172.71 2d8k s ILE 15 N -2.32 1.79 -0.28 4.99 2.07 -0.47 -3.16 121.20 123.82 2d8k s ILE 15 Ca 0.15 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 2d8k s ILE 15 Cb -0.04 -1.50 0.05 0.00 0.13 0.00 0.00 42.46 41.10 2d8k s ILE 15 CO 0.05 0.50 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.95 2d8k s GLN 16 N -0.31 2.41 0.07 3.50 0.74 -1.21 -3.18 119.66 121.69 2d8k s GLN 16 Ca 0.03 -1.26 0.04 0.00 0.05 0.00 0.00 55.36 54.22 2d8k s GLN 16 Cb -0.11 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 2d8k s GLN 16 CO 0.01 -0.57 -0.13 -0.59 -0.55 0.00 0.00 175.29 173.47 2d8k s PHE 17 N 1.20 1.10 -0.07 1.67 -0.71 -1.20 -1.43 117.98 118.55 2d8k s PHE 17 Ca -0.06 -0.49 -0.03 0.00 -1.04 0.00 0.00 56.93 55.31 2d8k s PHE 17 Cb -0.19 -0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 2d8k s PHE 17 CO -0.03 0.03 0.08 -1.54 -1.34 0.00 0.00 175.22 172.42 2d8k s SER 18 N -1.78 5.80 -0.09 1.98 1.04 0.75 -2.42 113.70 118.98 2d8k s SER 18 Ca -0.03 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.70 2d8k s SER 18 Cb -0.09 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2d8k s SER 18 CO 0.02 0.35 -0.21 -0.69 0.98 0.00 0.00 173.24 173.69 2d8k s VAL 19 N -1.05 1.82 -0.30 5.02 1.01 -1.13 -2.46 120.40 123.32 2d8k s VAL 19 Ca 0.17 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2d8k s VAL 19 Cb -0.12 -1.59 0.16 0.00 0.00 0.00 0.00 36.38 34.83 2d8k s VAL 19 CO 0.07 0.51 0.82 -0.83 0.00 0.00 0.00 175.10 175.67 2d8k s GLY 20 N 0.45 -0.51 -0.13 4.51 0.00 -1.05 -2.63 107.32 107.96 2d8k s GLY 20 Ca -0.17 2.60 -0.06 0.00 0.00 0.00 0.00 44.72 47.09 2d8k s GLY 20 CO 0.07 3.26 0.08 -0.47 0.00 0.00 0.00 173.10 176.03 2d8k s TYR 21 N 2.72 3.37 -0.25 1.90 6.14 -1.19 -1.26 117.35 128.78 2d8k s TYR 21 Ca -0.00 0.30 -0.15 0.00 0.64 0.00 0.00 57.07 57.86 2d8k s TYR 21 Cb -0.10 -1.94 -0.04 0.00 0.42 0.00 0.00 41.96 40.30 2d8k s TYR 21 CO -0.18 0.49 0.37 -0.80 0.64 0.00 0.00 175.55 176.07 2d8k s ASN 22 N -0.56 6.29 0.01 4.32 -0.87 0.55 -4.69 114.94 119.99 2d8k s ASN 22 Ca 0.11 0.33 -0.20 0.00 -1.57 0.00 0.00 52.86 51.53 2d8k s ASN 22 Cb -0.12 -2.21 -0.11 0.00 -0.02 0.00 0.00 41.25 38.79 2d8k s ASN 22 CO 0.02 -0.14 1.00 -0.26 -2.57 0.00 0.00 177.10 175.14 2d8k h PHE 23 N 7.94 -0.66 -0.35 2.20 -1.00 -1.95 1.23 116.94 124.36 2d8k h PHE 23 Ca -0.33 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.51 2d8k h PHE 23 Cb 1.16 0.22 -0.09 0.00 3.61 0.00 0.00 35.95 40.86 2d8k h PHE 23 CO 0.73 -0.41 -0.34 -0.56 -1.61 0.00 0.00 178.31 176.12 2d8k h GLN 24 N -0.94 -0.28 0.00 1.51 3.07 -1.99 0.21 115.11 116.69 2d8k h GLN 24 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2d8k h GLN 24 Cb 0.55 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.17 2d8k h GLN 24 CO 0.12 -0.19 0.00 0.93 0.09 0.00 0.00 178.83 179.78 2d8k h GLU 25 N -0.29 0.00 -6.48 0.06 4.39 -1.99 -3.47 114.58 106.80 2d8k h GLU 25 Ca 0.15 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.35 2d8k h GLU 25 Cb 0.55 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 2d8k h GLU 25 CO -0.51 0.00 -0.87 0.43 -1.16 0.00 0.00 179.01 176.90 2d8k n SER 26 N -2.36 -0.92 -4.07 1.42 7.64 0.42 -4.97 113.62 110.78 2d8k n SER 26 Ca 0.04 -0.98 -0.15 0.00 1.01 0.00 0.00 58.87 58.78 2d8k n SER 26 Cb 0.35 -3.15 -0.12 0.00 -1.01 0.00 0.00 64.21 60.28 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2d8k s THR 27 N -3.83 0.69 -0.15 0.44 2.01 -0.72 -4.49 115.64 109.58 2d8k s THR 27 Ca 0.12 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 61.04 2d8k s THR 27 Cb -0.06 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2d8k s THR 27 CO 0.88 -0.20 0.30 -0.22 -0.69 0.00 0.00 174.62 174.69 2d8k s LEU 28 N -1.26 4.25 -0.25 4.42 2.96 -1.23 -0.33 118.68 127.25 2d8k s LEU 28 Ca -0.05 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 2d8k s LEU 28 Cb -0.08 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.25 2d8k s LEU 28 CO 0.01 0.11 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.23 2d8k s THR 29 N 0.40 3.16 -0.31 3.68 2.01 -0.39 -2.67 115.64 121.53 2d8k s THR 29 Ca 0.17 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2d8k s THR 29 Cb -0.13 -2.59 0.08 0.00 0.01 0.00 0.00 72.50 69.87 2d8k s THR 29 CO 0.04 0.20 0.01 -0.69 -0.69 0.00 0.00 174.62 173.49 2d8k s VAL 30 N 1.38 2.53 -0.29 3.82 1.01 -1.20 -2.52 120.40 125.14 2d8k s VAL 30 Ca 0.01 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.02 2d8k s VAL 30 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2d8k s VAL 30 CO -0.03 -0.31 0.18 -0.75 0.00 0.00 0.00 175.10 174.18 2d8k s LYS 31 N 1.08 3.79 -0.75 2.72 2.20 -1.03 -3.04 119.74 124.70 2d8k s LYS 31 Ca 0.00 -0.43 -0.18 0.00 -0.36 0.00 0.00 55.97 55.01 2d8k s LYS 31 Cb -0.20 -3.62 0.14 0.00 -1.51 0.00 0.00 37.83 32.64 2d8k s LYS 31 CO -0.05 -0.24 0.84 0.42 -0.36 0.00 0.00 175.35 175.96 2d8k s ILE 32 N 1.72 4.99 0.00 5.43 -1.09 -1.17 -0.17 121.20 130.91 2d8k s ILE 32 Ca 0.07 -1.53 0.00 0.00 -2.23 0.00 0.00 60.65 56.95 2d8k s ILE 32 Cb -0.16 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.15 2d8k s ILE 32 CO 0.09 -1.22 0.74 0.23 -1.23 0.00 0.00 174.94 173.56 2d8k n MET 33 N 5.80 0.00 -3.93 2.79 2.81 -0.51 -0.44 117.12 123.64 2d8k n MET 33 Ca 0.06 0.65 0.02 0.00 -1.81 0.00 0.00 57.70 56.62 2d8k n MET 33 Cb 0.45 -1.24 0.01 0.00 -0.71 0.00 0.00 33.22 31.74 2d8k n MET 33 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2d8k s LYS 34 N -1.96 0.53 0.18 0.03 0.00 -1.24 -2.13 119.74 115.15 2d8k s LYS 34 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 55.97 55.73 2d8k s LYS 34 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 37.83 37.94 2d8k s LYS 34 CO 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 175.35 174.96 2d8k s ALA 35 N -2.09 2.81 0.03 0.59 0.00 -0.85 -3.32 121.76 118.93 2d8k s ALA 35 Ca 0.27 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 2d8k s ALA 35 Cb -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2d8k s ALA 35 CO -0.00 0.46 0.27 -0.65 0.00 0.00 0.00 175.76 175.84 2d8k s GLN 36 N -2.76 0.73 -1.21 0.00 -1.52 -1.19 -4.10 119.66 109.61 2d8k s GLN 36 Ca 0.23 -0.45 -0.00 0.00 -1.95 0.00 0.00 55.36 53.19 2d8k s GLN 36 Cb -0.09 0.32 -0.00 0.00 -0.22 0.00 0.00 33.01 33.02 2d8k s GLN 36 CO 0.13 -0.22 0.98 0.39 -0.25 0.00 0.00 175.29 176.32 2d8k n GLU 37 N 0.81 -6.50 -3.72 2.91 1.02 -1.26 -2.50 120.64 111.40 2d8k n GLU 37 Ca -0.20 0.84 -0.36 0.00 -0.02 0.00 0.00 57.16 57.42 2d8k n GLU 37 Cb 0.58 -5.82 -0.07 0.00 -0.02 0.00 0.00 31.44 26.11 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d8k s LEU 38 N -6.38 4.28 0.70 -4.62 1.43 -1.26 -1.96 118.68 110.88 2d8k s LEU 38 Ca 0.00 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 2d8k s LEU 38 Cb -0.00 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2d8k s LEU 38 CO 0.74 0.23 1.10 -2.16 0.23 0.00 0.00 176.35 176.49 2d8k s PRO 39 N -0.07 2.59 -0.19 1.29 0.04 -1.26 -4.90 135.00 132.50 2d8k s PRO 39 Ca 0.12 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 2d8k s PRO 39 Cb -0.12 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2d8k s PRO 39 CO 0.02 -1.40 0.00 0.00 0.04 0.00 0.00 177.00 175.66 2d8k s ALA 40 N -2.56 3.08 -0.07 8.56 0.00 -1.26 -4.84 121.76 124.67 2d8k s ALA 40 Ca 0.65 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2d8k s ALA 40 Cb -0.19 -1.76 -0.30 0.00 0.00 0.00 0.00 23.12 20.87 2d8k s ALA 40 CO 0.47 -0.05 0.64 0.87 0.00 0.00 0.00 175.76 177.69 2d8k h LYS 41 N 7.27 0.35 -7.32 0.00 1.79 -1.97 -3.47 116.57 113.23 2d8k h LYS 41 Ca -0.35 -0.60 -0.51 0.00 -2.18 0.00 0.00 60.65 57.01 2d8k h LYS 41 Cb 1.18 0.22 0.14 0.00 -1.58 0.00 0.00 32.23 32.19 2d8k h LYS 41 CO 0.62 1.29 0.30 0.34 -1.08 0.00 0.00 179.45 180.92 2d8k s ASP 42 N -7.21 4.24 -0.02 0.86 2.15 -1.22 -4.98 116.67 110.49 2d8k s ASP 42 Ca -0.17 1.78 -0.26 0.00 0.43 0.00 0.00 52.55 54.33 2d8k s ASP 42 Cb 0.05 -2.46 -0.20 0.00 -0.30 0.00 0.00 42.92 40.01 2d8k s ASP 42 CO 0.83 -2.20 1.28 -0.26 -0.17 0.00 0.00 175.17 174.65 2d8k h PHE 43 N -1.24 0.01 -0.88 -5.34 0.04 -1.91 -3.27 116.94 104.35 2d8k h PHE 43 Ca -0.45 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.46 2d8k h PHE 43 Cb 1.24 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.24 2d8k h PHE 43 CO 0.55 0.48 -0.37 0.77 -0.60 0.00 0.00 178.31 179.14 2d8k h SER 44 N -0.46 -1.33 0.00 2.17 0.02 -1.99 -3.45 113.55 108.51 2d8k h SER 44 Ca 0.00 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2d8k h SER 44 Cb 0.48 0.70 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2d8k h SER 44 CO 0.00 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.01 2d8k n GLY 45 N -1.47 0.46 3.72 -3.77 0.00 -1.23 -5.17 105.19 97.73 2d8k n GLY 45 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2d8k n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d8k s THR 46 N -0.74 0.00 0.31 2.61 -1.32 -1.26 -4.93 115.64 110.31 2d8k s THR 46 Ca 0.00 -0.63 -0.19 0.00 -1.21 0.00 0.00 61.69 59.66 2d8k s THR 46 Cb 0.00 -1.72 0.05 0.00 -1.51 0.00 0.00 72.50 69.31 2d8k s THR 46 CO 0.00 0.00 0.80 -0.44 -2.21 0.00 0.00 174.62 172.77 2d8k s SER 47 N -2.85 -0.10 -0.97 8.08 0.01 -1.26 -3.44 113.70 113.17 2d8k s SER 47 Ca 0.09 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 2d8k s SER 47 Cb -0.03 0.75 0.24 0.00 0.21 0.00 0.00 66.02 67.19 2d8k s SER 47 CO 0.01 -1.44 0.91 -0.90 0.41 0.00 0.00 173.24 172.23 2d8k n ASP 48 N -0.99 4.67 -4.77 2.44 5.75 -1.26 -2.99 116.55 119.40 2d8k n ASP 48 Ca -0.06 -3.13 -0.38 0.00 -0.01 0.00 0.00 54.79 51.21 2d8k n ASP 48 Cb 0.60 -1.14 -0.02 0.00 -1.03 0.00 0.00 41.12 39.53 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2d8k s PRO 49 N -1.45 3.99 -0.12 0.11 0.04 -1.25 -2.73 135.00 133.59 2d8k s PRO 49 Ca 0.29 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 2d8k s PRO 49 Cb -0.07 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.87 2d8k s PRO 49 CO -0.10 -0.38 0.41 -0.59 0.04 0.00 0.00 177.00 176.37 2d8k s PHE 50 N -1.41 -0.41 0.27 0.56 -0.71 0.22 -3.79 117.98 112.70 2d8k s PHE 50 Ca 0.58 0.92 -0.15 0.00 -1.04 0.00 0.00 56.93 57.25 2d8k s PHE 50 Cb -0.31 0.16 -0.08 0.00 -1.21 0.00 0.00 43.02 41.57 2d8k s PHE 50 CO 0.39 -0.28 0.67 0.08 -1.34 0.00 0.00 175.22 174.74 2d8k s VAL 51 N -0.22 4.73 -0.21 -2.49 1.01 -1.26 -1.76 120.40 120.20 2d8k s VAL 51 Ca -0.04 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2d8k s VAL 51 Cb -0.03 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2d8k s VAL 51 CO 0.02 -0.05 -0.06 -0.75 0.00 0.00 0.00 175.10 174.27 2d8k s LYS 52 N -2.67 1.59 0.01 2.72 2.47 -0.62 -1.79 119.74 121.46 2d8k s LYS 52 Ca 0.49 -0.82 -0.19 0.00 -1.56 0.00 0.00 55.97 53.89 2d8k s LYS 52 Cb -0.12 -2.40 -0.06 0.00 -1.46 0.00 0.00 37.83 33.79 2d8k s LYS 52 CO 0.19 -0.53 0.55 0.42 0.16 0.00 0.00 175.35 176.13 2d8k s ILE 53 N 1.48 4.90 -0.15 5.43 1.01 0.43 -2.02 121.20 132.28 2d8k s ILE 53 Ca -0.03 1.15 -0.06 0.00 0.00 0.00 0.00 60.65 61.71 2d8k s ILE 53 Cb -0.17 -3.88 0.07 0.00 0.01 0.00 0.00 42.46 38.49 2d8k s ILE 53 CO -0.07 0.47 0.33 -0.31 0.00 0.00 0.00 174.94 175.36 2d8k s TYR 54 N -0.50 -0.55 -1.18 3.97 1.51 -0.57 -1.23 117.35 118.80 2d8k s TYR 54 Ca 0.29 1.16 -0.15 0.00 -1.01 0.00 0.00 57.07 57.36 2d8k s TYR 54 Cb -0.18 0.11 0.16 0.00 -0.11 0.00 0.00 41.96 41.95 2d8k s TYR 54 CO 0.16 -0.38 1.41 -0.51 -1.11 0.00 0.00 175.55 175.12 2d8k s LEU 55 N 2.24 5.00 0.54 -1.29 1.43 -1.26 -1.99 118.68 123.36 2d8k s LEU 55 Ca -0.02 -2.86 -0.19 0.00 -1.03 0.00 0.00 54.13 50.03 2d8k s LEU 55 Cb -0.11 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 2d8k s LEU 55 CO -0.10 -0.80 1.09 -0.76 0.23 0.00 0.00 176.35 176.00 2d8k s LEU 56 N 1.82 3.71 0.16 1.79 1.43 -1.05 -2.08 118.68 124.47 2d8k s LEU 56 Ca 0.42 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 55.47 2d8k s LEU 56 Cb -0.03 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.64 2d8k s LEU 56 CO -0.01 -1.11 1.50 1.55 0.23 0.00 0.00 176.35 178.51 2d8k h PRO 57 N 1.11 0.86 -3.23 1.29 0.13 -1.88 0.16 132.00 130.43 2d8k h PRO 57 Ca -0.49 -0.45 -0.33 0.00 -0.87 0.00 0.00 66.00 63.86 2d8k h PRO 57 Cb 1.24 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2d8k h PRO 57 CO 0.57 1.09 1.12 -3.47 -0.23 0.00 0.00 178.00 177.08 2d8k n ASP 58 N -4.05 0.20 -1.53 1.44 2.03 -0.88 -4.71 116.55 109.04 2d8k n ASP 58 Ca -0.02 0.13 0.08 0.00 0.52 0.00 0.00 54.79 55.50 2d8k n ASP 58 Cb 0.54 -0.59 0.34 0.00 -0.72 0.00 0.00 41.12 40.68 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2d8k n LYS 59 N 5.43 3.67 -0.04 -0.67 5.02 -1.26 -4.03 118.16 126.28 2d8k n LYS 59 Ca 0.42 -2.65 -0.02 0.00 -2.02 0.00 0.00 58.31 54.04 2d8k n LYS 59 Cb 0.02 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 33.12 2d8k n LYS 59 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2d8k h LYS 60 N 3.73 0.00 -5.84 1.97 1.63 -1.89 -3.44 116.57 112.73 2d8k h LYS 60 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 2d8k h LYS 60 Cb 1.43 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.94 2d8k h LYS 60 CO 0.25 0.00 0.75 -1.58 -3.45 0.00 0.00 179.45 175.42 2d8k s HIS 61 N -1.61 2.53 0.18 1.91 2.46 -1.26 -5.00 115.29 114.50 2d8k s HIS 61 Ca -0.06 -0.31 0.10 0.00 0.47 0.00 0.00 55.06 55.26 2d8k s HIS 61 Cb 0.01 -4.41 -0.04 0.00 -0.13 0.00 0.00 32.58 28.00 2d8k s HIS 61 CO 0.08 -1.79 -0.20 -1.59 -2.47 0.00 0.00 174.74 168.77 2d8k s LYS 62 N 4.71 1.37 0.20 2.88 0.00 -1.26 -4.09 119.74 123.55 2d8k s LYS 62 Ca 0.28 -1.46 0.02 0.00 0.00 0.00 0.00 55.97 54.80 2d8k s LYS 62 Cb -0.13 -1.51 -0.05 0.00 0.00 0.00 0.00 37.83 36.14 2d8k s LYS 62 CO 0.13 0.31 0.02 -1.17 0.00 0.00 0.00 175.35 174.64 2d8k s LEU 63 N -2.71 2.00 0.24 2.77 2.96 -0.37 -5.01 118.68 118.55 2d8k s LEU 63 Ca 0.18 -1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.76 2d8k s LEU 63 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.57 2d8k s LEU 63 CO 0.08 -0.60 0.41 -1.61 -1.32 0.00 0.00 176.35 173.31 2d8k s GLU 64 N -3.94 1.49 0.31 1.98 8.01 -1.26 0.16 118.70 125.45 2d8k s GLU 64 Ca 0.28 -1.33 0.07 0.00 0.01 0.00 0.00 54.97 54.00 2d8k s GLU 64 Cb 0.06 0.43 -0.03 0.00 -4.31 0.00 0.00 34.13 30.29 2d8k s GLU 64 CO 0.07 -0.60 0.27 0.95 0.01 0.00 0.00 175.26 175.96 2d8k s THR 65 N -4.02 3.91 1.13 3.63 -4.23 -0.74 -4.90 115.64 110.41 2d8k s THR 65 Ca 0.26 -1.35 -0.16 0.00 -1.18 0.00 0.00 61.69 59.25 2d8k s THR 65 Cb 0.01 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.79 2d8k s THR 65 CO 0.10 -0.24 0.47 0.29 -0.54 0.00 0.00 174.62 174.70 2d8k n LYS 66 N -1.32 -2.90 -4.05 3.99 4.76 -1.26 -4.57 118.16 112.80 2d8k n LYS 66 Ca -0.04 -0.86 -0.31 0.00 -2.87 0.00 0.00 58.31 54.23 2d8k n LYS 66 Cb 0.59 -1.61 -0.16 0.00 -1.84 0.00 0.00 35.03 32.01 2d8k n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2d8k s VAL 67 N -2.10 1.77 -0.27 -0.18 1.01 -1.26 -4.57 120.40 114.80 2d8k s VAL 67 Ca 0.45 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2d8k s VAL 67 Cb -0.08 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2d8k s VAL 67 CO 0.41 0.41 0.21 -0.54 0.00 0.00 0.00 175.10 175.59 2d8k s LYS 68 N 1.39 3.97 0.08 2.72 -0.14 -1.25 -5.06 119.74 121.46 2d8k s LYS 68 Ca 0.03 -0.26 -0.13 0.00 -1.36 0.00 0.00 55.97 54.26 2d8k s LYS 68 Cb -0.14 -3.64 -0.06 0.00 -1.68 0.00 0.00 37.83 32.31 2d8k s LYS 68 CO -0.11 -0.17 0.46 1.03 -0.76 0.00 0.00 175.35 175.80 2d8k s ARG 69 N 1.72 3.88 -1.13 1.68 1.81 -1.26 -3.80 118.95 121.86 2d8k s ARG 69 Ca 0.08 0.35 -0.05 0.00 -1.72 0.00 0.00 55.73 54.40 2d8k s ARG 69 Cb -0.16 -3.04 0.01 0.00 -0.45 0.00 0.00 34.95 31.31 2d8k s ARG 69 CO 0.10 0.57 0.97 1.63 -0.68 0.00 0.00 175.30 177.89 2d8k n LYS 70 N 1.13 -6.49 -3.64 3.54 4.76 -1.24 -5.01 118.16 111.22 2d8k n LYS 70 Ca -0.09 0.73 -0.02 0.00 -2.87 0.00 0.00 58.31 56.06 2d8k n LYS 70 Cb 0.52 -5.44 -0.05 0.00 -1.84 0.00 0.00 35.03 28.23 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2d8k s ASN 71 N -3.63 -1.08 -0.16 4.39 3.84 -1.16 -4.95 114.94 112.20 2d8k s ASN 71 Ca 0.31 1.52 0.15 0.00 0.21 0.00 0.00 52.86 55.05 2d8k s ASN 71 Cb -0.14 2.10 -0.24 0.00 -0.55 0.00 0.00 41.25 42.42 2d8k s ASN 71 CO 0.63 -0.22 0.22 0.18 -2.79 0.00 0.00 177.10 175.13 2d8k n LEU 72 N 5.20 0.46 -2.33 3.21 4.77 -1.26 -4.10 117.00 122.94 2d8k n LEU 72 Ca -0.13 0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 2d8k n LEU 72 Cb 0.51 0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.92 2d8k n LEU 72 CO -0.04 0.50 0.37 0.59 -1.33 0.00 0.00 177.39 177.48 2d8k n ASN 73 N -2.87 5.19 -4.69 -1.43 3.02 -1.26 -4.38 115.26 108.84 2d8k n ASN 73 Ca -0.29 -3.74 -0.29 0.00 -0.03 0.00 0.00 54.58 50.22 2d8k n ASN 73 Cb 1.12 -0.49 0.16 0.00 -0.61 0.00 0.00 39.78 39.96 2d8k n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d8k s PRO 74 N -3.62 0.79 -0.19 3.52 0.04 -1.26 -4.63 135.00 129.65 2d8k s PRO 74 Ca 0.50 0.66 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2d8k s PRO 74 Cb 0.41 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 33.22 2d8k s PRO 74 CO -0.11 -2.52 -0.12 -3.38 0.04 0.00 0.00 177.00 170.91 2d8k s HIS 75 N -2.95 2.39 -0.15 0.56 -3.43 -1.26 -2.01 115.29 108.44 2d8k s HIS 75 Ca 0.64 -1.51 -0.22 0.00 -0.80 0.00 0.00 55.06 53.17 2d8k s HIS 75 Cb -0.18 -1.65 -0.20 0.00 -1.43 0.00 0.00 32.58 29.12 2d8k s HIS 75 CO 0.57 -0.73 0.51 -1.49 -2.00 0.00 0.00 174.74 171.60 2d8k h TRP 76 N 7.99 0.00 -6.17 0.38 6.55 -1.68 -3.48 115.95 119.53 2d8k h TRP 76 Ca -0.31 0.00 -0.47 0.00 0.95 0.00 0.00 58.89 59.05 2d8k h TRP 76 Cb 1.11 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 29.32 2d8k h TRP 76 CO 0.50 0.88 -0.73 -1.71 -1.05 0.00 0.00 178.44 176.33 2d8k n ASN 77 N -4.61 -4.23 -4.94 -3.49 5.15 0.42 -4.95 115.26 98.61 2d8k n ASN 77 Ca -0.12 -0.74 -0.24 0.00 -0.60 0.00 0.00 54.58 52.88 2d8k n ASN 77 Cb 0.43 -3.42 -0.00 0.00 -0.53 0.00 0.00 39.78 36.25 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2d8k s GLU 78 N -6.54 3.35 -0.20 1.20 2.02 -1.25 -4.90 118.70 112.38 2d8k s GLU 78 Ca 0.62 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 55.31 2d8k s GLU 78 Cb -0.32 -2.58 0.05 0.00 0.10 0.00 0.00 34.13 31.38 2d8k s GLU 78 CO 0.77 -0.05 -0.04 0.99 0.02 0.00 0.00 175.26 176.94 2d8k s THR 79 N -2.46 1.24 0.24 3.63 2.01 -1.26 -3.02 115.64 116.01 2d8k s THR 79 Ca 0.44 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2d8k s THR 79 Cb -0.10 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2d8k s THR 79 CO 0.38 -0.01 0.39 -0.36 -0.69 0.00 0.00 174.62 174.33 2d8k s PHE 80 N 1.55 3.47 -0.09 4.92 0.08 -1.17 -4.97 117.98 121.77 2d8k s PHE 80 Ca -0.02 0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 2d8k s PHE 80 Cb -0.17 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2d8k s PHE 80 CO -0.07 0.39 0.18 -0.51 -0.10 0.00 0.00 175.22 175.10 2d8k s LEU 81 N -3.89 0.09 -0.47 -0.37 1.43 -1.25 -3.22 118.68 111.00 2d8k s LEU 81 Ca 0.35 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 2d8k s LEU 81 Cb -0.10 0.38 0.12 0.00 0.03 0.00 0.00 46.19 46.62 2d8k s LEU 81 CO 0.30 -0.22 0.35 -0.36 0.23 0.00 0.00 176.35 176.65 2d8k s PHE 82 N 2.01 3.42 -0.08 0.29 0.08 -1.09 -4.94 117.98 117.67 2d8k s PHE 82 Ca -0.01 -1.86 -0.12 0.00 0.12 0.00 0.00 56.93 55.07 2d8k s PHE 82 Cb -0.12 -3.50 -0.05 0.00 -0.57 0.00 0.00 43.02 38.78 2d8k s PHE 82 CO -0.06 -0.99 0.30 -1.21 -0.10 0.00 0.00 175.22 173.15 2d8k s GLU 83 N 1.37 3.86 0.00 0.44 2.02 -1.26 -3.48 118.70 121.64 2d8k s GLU 83 Ca 0.06 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.21 2d8k s GLU 83 Cb -0.26 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.70 2d8k s GLU 83 CO -0.01 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.28 2d8k n GLY 84 N 2.29 0.99 3.18 -1.39 0.00 -1.26 -5.09 105.19 103.90 2d8k n GLY 84 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2d8k n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8k s PHE 85 N -2.00 2.96 0.38 1.61 0.40 -1.26 -5.11 117.98 114.96 2d8k s PHE 85 Ca 0.00 -1.54 -0.26 0.00 -0.60 0.00 0.00 56.93 54.53 2d8k s PHE 85 Cb 0.00 -2.01 -0.09 0.00 0.51 0.00 0.00 43.02 41.44 2d8k s PHE 85 CO 0.00 -0.74 1.20 -1.25 0.70 0.00 0.00 175.22 175.13 2d8k s PRO 86 N 1.32 4.13 0.28 0.24 0.04 -1.26 -4.67 135.00 135.08 2d8k s PRO 86 Ca 0.02 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2d8k s PRO 86 Cb -0.15 -2.78 0.63 0.00 0.04 0.00 0.00 34.50 32.24 2d8k s PRO 86 CO -0.07 -0.28 1.73 -0.92 0.04 0.00 0.00 177.00 177.50 2d8k h TYR 87 N 2.83 0.73 -0.21 0.56 5.03 -1.93 0.59 116.97 124.56 2d8k h TYR 87 Ca -0.49 0.04 0.06 0.00 2.58 0.00 0.00 58.73 60.92 2d8k h TYR 87 Cb 1.23 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 2d8k h TYR 87 CO 0.55 0.08 0.31 1.05 -1.32 0.00 0.00 178.16 178.84 2d8k h GLU 88 N 0.53 0.00 0.00 1.82 4.11 -2.01 -2.18 114.58 116.85 2d8k h GLU 88 Ca 0.51 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.56 2d8k h GLU 88 Cb 0.85 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 2d8k h GLU 88 CO -0.44 0.00 -2.25 1.63 0.07 0.00 0.00 179.01 178.03 2d8k n LYS 89 N -3.51 0.58 -0.39 1.06 5.02 0.17 -4.29 118.16 116.80 2d8k n LYS 89 Ca 0.03 0.26 0.38 0.00 -2.02 0.00 0.00 58.31 56.96 2d8k n LYS 89 Cb 0.43 -1.48 0.69 0.00 -0.02 0.00 0.00 35.03 34.65 2d8k n LYS 89 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2d8k h VAL 90 N -1.00 0.15 -0.15 -0.18 3.04 -0.31 1.17 116.25 118.96 2d8k h VAL 90 Ca -0.57 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 64.90 2d8k h VAL 90 Cb 1.50 0.18 0.01 0.00 -2.01 0.00 0.00 31.29 30.96 2d8k h VAL 90 CO -0.35 0.00 -0.75 -0.37 -1.01 0.00 0.00 177.57 175.09 2d8k h VAL 91 N 0.00 1.29 0.00 1.51 -1.51 -1.60 -2.97 116.25 112.97 2d8k h VAL 91 Ca 0.64 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 2d8k h VAL 91 Cb 2.87 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 34.00 2d8k h VAL 91 CO -0.01 0.62 0.00 0.00 -1.23 0.00 0.00 177.57 176.96 2d8k n GLN 92 N -3.93 0.10 -2.84 5.19 6.02 0.40 -2.49 117.38 119.84 2d8k n GLN 92 Ca -0.07 0.35 -0.25 0.00 -0.01 0.00 0.00 57.00 57.02 2d8k n GLN 92 Cb 0.73 -1.69 0.01 0.00 1.02 0.00 0.00 30.24 30.30 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -3.17 3.27 -0.05 -1.09 1.81 -1.00 -4.83 118.95 113.89 2d8k s ARG 93 Ca 0.05 -0.15 0.06 0.00 -1.72 0.00 0.00 55.73 53.98 2d8k s ARG 93 Cb 0.09 -2.47 -0.01 0.00 -0.45 0.00 0.00 34.95 32.11 2d8k s ARG 93 CO 0.32 -0.25 -0.25 0.42 -0.68 0.00 0.00 175.30 174.86 2d8k s ILE 94 N -2.65 2.08 -0.12 1.52 1.01 0.04 -2.39 121.20 120.69 2d8k s ILE 94 Ca 0.47 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2d8k s ILE 94 Cb -0.10 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2d8k s ILE 94 CO 0.41 0.57 1.13 -0.22 0.00 0.00 0.00 174.94 176.83 2d8k s LEU 95 N -0.24 4.22 -0.13 2.97 2.96 0.13 -2.54 118.68 126.05 2d8k s LEU 95 Ca -0.01 1.64 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 2d8k s LEU 95 Cb -0.13 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.01 2d8k s LEU 95 CO 0.03 -0.59 -0.21 -0.47 -1.32 0.00 0.00 176.35 173.79 2d8k s TYR 96 N 2.57 2.67 -0.16 5.38 5.04 -0.84 -1.71 117.35 130.29 2d8k s TYR 96 Ca 0.52 -1.21 -0.03 0.00 -2.44 0.00 0.00 57.07 53.91 2d8k s TYR 96 Cb -0.21 -1.81 0.05 0.00 0.35 0.00 0.00 41.96 40.35 2d8k s TYR 96 CO 0.17 -0.54 0.04 -0.51 -1.34 0.00 0.00 175.55 173.37 2d8k s LEU 97 N 0.70 0.86 -0.27 6.97 1.43 -0.86 -1.52 118.68 125.99 2d8k s LEU 97 Ca -0.09 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2d8k s LEU 97 Cb -0.16 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.60 2d8k s LEU 97 CO 0.01 -0.29 -0.00 -1.58 0.23 0.00 0.00 176.35 174.72 2d8k s GLN 98 N 1.95 2.91 -0.49 1.70 0.74 -0.86 -0.37 119.66 125.24 2d8k s GLN 98 Ca 0.01 -0.95 -0.20 0.00 0.05 0.00 0.00 55.36 54.28 2d8k s GLN 98 Cb -0.16 -3.14 0.05 0.00 1.10 0.00 0.00 33.01 30.86 2d8k s GLN 98 CO -0.07 -0.43 0.63 0.08 -0.55 0.00 0.00 175.29 174.95 2d8k s VAL 99 N 1.39 4.85 0.25 1.34 1.01 0.36 -1.58 120.40 128.02 2d8k s VAL 99 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2d8k s VAL 99 Cb -0.17 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 2d8k s VAL 99 CO -0.02 -0.76 0.26 -1.48 0.00 0.00 0.00 175.10 173.11 2d8k s LEU 100 N 2.70 1.07 -0.18 3.92 2.34 -0.72 -2.76 118.68 125.06 2d8k s LEU 100 Ca 0.17 -1.37 -0.09 0.00 0.06 0.00 0.00 54.13 52.90 2d8k s LEU 100 Cb -0.18 0.80 -0.05 0.00 -0.56 0.00 0.00 46.19 46.21 2d8k s LEU 100 CO 0.14 -0.99 0.11 1.51 -1.06 0.00 0.00 176.35 176.06 2d8k s ASP 101 N -3.18 6.08 0.55 1.48 -4.77 -1.23 0.70 116.67 116.30 2d8k s ASP 101 Ca 0.35 0.23 -0.11 0.00 -3.30 0.00 0.00 52.55 49.73 2d8k s ASP 101 Cb 0.04 -2.04 -0.05 0.00 -1.09 0.00 0.00 42.92 39.78 2d8k s ASP 101 CO 0.15 0.22 0.95 -0.47 0.70 0.00 0.00 175.17 176.72 2d8k s TYR 102 N 0.09 3.57 0.37 2.11 5.04 -1.11 -3.49 117.35 123.93 2d8k s TYR 102 Ca 0.08 1.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.93 2d8k s TYR 102 Cb -0.11 -2.63 -0.00 0.00 0.35 0.00 0.00 41.96 39.57 2d8k s TYR 102 CO -0.00 -0.50 0.04 -3.47 -1.34 0.00 0.00 175.55 170.28 2d8k n ASP 103 N -2.30 2.37 -0.15 4.32 2.03 -1.23 -4.81 116.55 116.78 2d8k n ASP 103 Ca 0.05 -2.72 -0.08 0.00 0.52 0.00 0.00 54.79 52.56 2d8k n ASP 103 Cb 0.54 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.42 2d8k n ASP 103 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2d8k h ARG 104 N 0.00 0.61 0.00 -0.67 3.08 -1.99 -3.45 114.38 111.96 2d8k h ARG 104 Ca -0.30 -0.07 -0.39 0.00 0.07 0.00 0.00 59.98 59.29 2d8k h ARG 104 Cb 0.98 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2d8k h ARG 104 CO 0.49 0.48 -0.11 1.19 -1.07 0.00 0.00 179.97 180.95 2d8k n PHE 105 N -4.71 -1.86 0.23 3.04 3.01 -1.26 -4.96 117.46 110.95 2d8k n PHE 105 Ca 0.01 -1.66 0.18 0.00 1.01 0.00 0.00 57.45 56.99 2d8k n PHE 105 Cb 0.08 -0.39 0.80 0.00 -0.01 0.00 0.00 39.48 39.96 2d8k n PHE 105 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2d8k h SER 106 N 0.23 0.00 -4.15 4.37 4.64 -2.04 -3.42 113.55 113.18 2d8k h SER 106 Ca -0.23 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.55 2d8k h SER 106 Cb 0.95 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.20 2d8k h SER 106 CO 0.34 0.00 0.43 0.00 -0.87 0.00 0.00 176.83 176.73 2d8k s ARG 107 N -4.35 2.26 -0.19 4.77 1.70 -1.26 -4.93 118.95 116.96 2d8k s ARG 107 Ca -0.04 1.86 -0.30 0.00 -0.47 0.00 0.00 55.73 56.78 2d8k s ARG 107 Cb 0.12 -1.84 0.14 0.00 -0.57 0.00 0.00 34.95 32.81 2d8k s ARG 107 CO 0.41 -1.77 1.08 0.54 -1.08 0.00 0.00 175.30 174.48 2d8k s ASN 108 N -1.82 -0.29 -0.48 -2.89 4.22 -1.26 -3.48 114.94 108.95 2d8k s ASN 108 Ca 0.77 0.30 -0.14 0.00 -2.14 0.00 0.00 52.86 51.65 2d8k s ASN 108 Cb -0.32 0.24 0.09 0.00 1.28 0.00 0.00 41.25 42.54 2d8k s ASN 108 CO 0.43 -0.28 0.40 -1.81 -2.04 0.00 0.00 177.10 173.80 2d8k s ASP 109 N -1.14 6.07 -0.04 3.54 1.01 -1.23 -5.05 116.67 119.82 2d8k s ASP 109 Ca 0.01 -1.47 -0.30 0.00 0.71 0.00 0.00 52.55 51.50 2d8k s ASP 109 Cb -0.01 -2.15 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 2d8k s ASP 109 CO -0.01 -0.68 1.48 -2.16 0.21 0.00 0.00 175.17 174.02 2d8k s PRO 110 N 1.59 4.23 -0.17 8.23 0.04 -1.26 -3.50 135.00 144.16 2d8k s PRO 110 Ca 0.04 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 2d8k s PRO 110 Cb -0.25 -3.76 -0.23 0.00 0.04 0.00 0.00 34.50 30.30 2d8k s PRO 110 CO 0.05 -0.71 0.40 0.82 0.04 0.00 0.00 177.00 177.61 2d8k h ILE 111 N 5.25 1.08 -1.85 0.56 2.04 -1.86 -3.43 117.51 119.29 2d8k h ILE 111 Ca -0.37 -2.27 0.35 0.00 1.00 0.00 0.00 64.86 63.57 2d8k h ILE 111 Cb 1.17 2.56 -0.09 0.00 -0.74 0.00 0.00 36.82 39.72 2d8k h ILE 111 CO 0.94 0.50 0.90 -0.83 0.00 0.00 0.00 178.15 179.65 2d8k s GLY 112 N -4.82 -0.24 0.32 5.37 0.00 -1.11 -3.88 107.32 102.97 2d8k s GLY 112 Ca -0.25 0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.58 2d8k s GLY 112 CO 0.66 3.79 0.78 -1.83 0.00 0.00 0.00 173.10 176.50 2d8k s GLU 113 N -2.13 1.97 -0.00 2.90 4.04 -1.00 -0.49 118.70 123.99 2d8k s GLU 113 Ca 0.24 -1.20 -0.01 0.00 0.04 0.00 0.00 54.97 54.04 2d8k s GLU 113 Cb 0.02 0.60 -0.00 0.00 0.02 0.00 0.00 34.13 34.76 2d8k s GLU 113 CO -0.02 -0.92 0.02 0.08 -1.84 0.00 0.00 175.26 172.59 2d8k s VAL 114 N -2.97 0.03 -0.26 1.83 1.01 0.50 -1.70 120.40 118.85 2d8k s VAL 114 Ca 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2d8k s VAL 114 Cb -0.05 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.27 2d8k s VAL 114 CO 0.09 -0.15 -0.01 -0.94 0.00 0.00 0.00 175.10 174.09 2d8k s SER 115 N -0.43 3.93 -0.08 3.32 1.04 -1.26 -2.03 113.70 118.19 2d8k s SER 115 Ca -0.05 -1.35 0.01 0.00 0.48 0.00 0.00 55.95 55.05 2d8k s SER 115 Cb -0.03 -1.15 0.02 0.00 0.10 0.00 0.00 66.02 64.96 2d8k s SER 115 CO -0.00 -0.29 -0.10 -0.63 0.98 0.00 0.00 173.24 173.20 2d8k s ILE 116 N 1.40 1.04 0.04 -1.02 1.01 -0.70 -4.99 121.20 117.98 2d8k s ILE 116 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 2d8k s ILE 116 Cb -0.19 -1.00 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 2d8k s ILE 116 CO -0.09 0.35 1.42 -2.16 0.00 0.00 0.00 174.94 174.45 2d8k s PRO 117 N 1.04 4.29 0.28 2.79 0.04 -1.26 0.17 135.00 142.35 2d8k s PRO 117 Ca -0.08 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.21 2d8k s PRO 117 Cb -0.15 -3.49 1.06 0.00 0.04 0.00 0.00 34.50 31.96 2d8k s PRO 117 CO -0.01 -0.55 1.69 1.28 0.04 0.00 0.00 177.00 179.45 2d8k n LEU 118 N 5.01 0.62 0.15 -3.56 4.77 -1.01 -1.71 117.00 121.28 2d8k n LEU 118 Ca 0.13 0.71 0.02 0.00 -0.03 0.00 0.00 56.01 56.83 2d8k n LEU 118 Cb 0.43 -0.68 0.18 0.00 -2.33 0.00 0.00 43.42 41.02 2d8k n LEU 118 CO 0.59 -0.73 0.53 -0.55 -1.33 0.00 0.00 177.39 175.90 2d8k h ASN 119 N 0.00 0.00 0.08 -1.43 -1.07 -1.67 -3.28 115.58 108.21 2d8k h ASN 119 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 2d8k h ASN 119 Cb 0.21 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.47 2d8k h ASN 119 CO 0.00 0.53 -0.63 0.11 0.07 0.00 0.00 177.43 177.50 2d8k h LYS 120 N 0.00 0.17 -6.54 4.14 1.79 -1.65 -3.45 116.57 111.03 2d8k h LYS 120 Ca -0.01 -0.29 -0.53 0.00 -2.18 0.00 0.00 60.65 57.64 2d8k h LYS 120 Cb 1.14 0.11 0.03 0.00 -1.58 0.00 0.00 32.23 31.94 2d8k h LYS 120 CO 0.07 1.14 0.95 0.54 -1.08 0.00 0.00 179.45 181.07 2d8k s VAL 121 N -2.36 2.77 -1.02 0.50 0.11 -1.18 -4.85 120.40 114.37 2d8k s VAL 121 Ca -0.17 0.43 -0.25 0.00 -2.93 0.00 0.00 61.98 59.05 2d8k s VAL 121 Cb 0.00 -3.27 -0.19 0.00 -1.53 0.00 0.00 36.38 31.39 2d8k s VAL 121 CO 0.76 0.02 1.99 0.47 -3.33 0.00 0.00 175.10 175.01 2d8k n ASP 122 N 4.75 2.08 0.26 3.54 9.92 -1.26 -4.69 116.55 131.15 2d8k n ASP 122 Ca 0.15 -2.59 0.17 0.00 -0.53 0.00 0.00 54.79 51.99 2d8k n ASP 122 Cb 0.39 -1.60 0.80 0.00 -0.64 0.00 0.00 41.12 40.07 2d8k n ASP 122 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2d8k h LEU 123 N 19.77 0.00 -1.95 0.64 3.38 -1.88 -1.12 115.31 134.15 2d8k h LEU 123 Ca 0.14 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.40 2d8k h LEU 123 Cb 0.93 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2d8k h LEU 123 CO 1.24 0.00 0.78 0.71 0.09 0.00 0.00 178.44 181.25 2d8k h THR 124 N 0.00 0.41 -3.70 0.22 1.35 -1.83 -3.14 112.91 106.22 2d8k h THR 124 Ca 0.06 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.84 2d8k h THR 124 Cb 0.77 0.45 -0.14 0.00 -1.73 0.00 0.00 68.15 67.50 2d8k h THR 124 CO -0.00 0.00 -0.31 -1.10 -0.25 0.00 0.00 175.52 173.86 2d8k s GLN 125 N -4.89 0.87 0.14 4.72 -0.21 -0.43 -4.97 119.66 114.91 2d8k s GLN 125 Ca -0.05 -0.87 -0.31 0.00 0.02 0.00 0.00 55.36 54.15 2d8k s GLN 125 Cb 0.21 0.36 -0.08 0.00 1.00 0.00 0.00 33.01 34.50 2d8k s GLN 125 CO 0.75 -0.29 1.33 1.41 -2.12 0.00 0.00 175.29 176.37 2d8k s MET 126 N -3.72 4.36 -0.07 2.91 -2.45 -1.26 -4.67 119.30 114.41 2d8k s MET 126 Ca 0.04 2.03 -0.03 0.00 -1.25 0.00 0.00 55.69 56.48 2d8k s MET 126 Cb 0.04 -3.24 0.04 0.00 1.25 0.00 0.00 34.83 32.92 2d8k s MET 126 CO -0.10 -0.34 0.13 -0.65 1.05 0.00 0.00 175.02 175.11 2d8k s GLN 127 N 0.58 0.04 0.38 4.11 -1.52 -1.08 -4.98 119.66 117.20 2d8k s GLN 127 Ca 0.60 0.43 -0.23 0.00 -1.95 0.00 0.00 55.36 54.21 2d8k s GLN 127 Cb -0.36 -0.25 -0.10 0.00 -0.22 0.00 0.00 33.01 32.08 2d8k s GLN 127 CO 0.33 -0.23 0.94 0.99 -0.25 0.00 0.00 175.29 177.08 2d8k s THR 128 N 1.66 4.31 -0.00 -0.19 2.01 -1.26 -2.83 115.64 119.33 2d8k s THR 128 Ca -0.04 1.64 0.03 0.00 0.31 0.00 0.00 61.69 63.64 2d8k s THR 128 Cb -0.12 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2d8k s THR 128 CO -0.05 -0.10 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.32 2d8k s PHE 129 N -1.91 0.90 -0.31 4.92 0.40 -1.02 -5.02 117.98 115.95 2d8k s PHE 129 Ca 0.56 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 2d8k s PHE 129 Cb -0.14 -0.58 0.09 0.00 0.51 0.00 0.00 43.02 42.90 2d8k s PHE 129 CO 0.18 -0.01 0.02 -1.58 0.70 0.00 0.00 175.22 174.53 2d8k s TRP 130 N -0.28 3.09 0.08 0.36 0.52 -1.26 -3.23 118.94 118.22 2d8k s TRP 130 Ca 0.04 -2.48 0.09 0.00 0.02 0.00 0.00 56.10 53.76 2d8k s TRP 130 Cb -0.04 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 2d8k s TRP 130 CO -0.00 -0.90 -0.23 0.15 0.02 0.00 0.00 176.95 175.98 2d8k s LYS 131 N 1.14 1.40 -0.49 4.98 -0.14 -1.19 -4.99 119.74 120.45 2d8k s LYS 131 Ca 0.06 -1.13 -0.25 0.00 -1.36 0.00 0.00 55.97 53.29 2d8k s LYS 131 Cb -0.19 -1.65 0.03 0.00 -1.68 0.00 0.00 37.83 34.34 2d8k s LYS 131 CO -0.11 0.41 0.92 0.16 -0.76 0.00 0.00 175.35 175.97 2d8k s ASP 132 N -1.59 6.44 -0.40 2.83 1.47 -1.26 -1.37 116.67 122.79 2d8k s ASP 132 Ca 0.09 -0.04 -0.36 0.00 1.18 0.00 0.00 52.55 53.43 2d8k s ASP 132 Cb -0.10 -2.44 -0.15 0.00 -0.34 0.00 0.00 42.92 39.89 2d8k s ASP 132 CO 0.03 -1.09 1.66 0.18 0.68 0.00 0.00 175.17 176.63 2d8k n LEU 133 N 7.22 0.65 -4.75 2.11 4.77 0.64 -4.85 117.00 122.80 2d8k n LEU 133 Ca 0.05 0.60 -0.32 0.00 -0.03 0.00 0.00 56.01 56.30 2d8k n LEU 133 Cb 0.48 -0.72 0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2d8k n LEU 133 CO 0.63 -0.63 0.73 -0.54 -1.33 0.00 0.00 177.39 176.26 2d8k s LYS 134 N 4.49 2.39 -0.42 3.23 -0.14 -0.69 -4.64 119.74 123.96 2d8k s LYS 134 Ca 0.95 1.40 -0.28 0.00 -1.36 0.00 0.00 55.97 56.68 2d8k s LYS 134 Cb -1.21 -1.90 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 2d8k s LYS 134 CO 0.55 -1.57 1.75 -1.25 -0.76 0.00 0.00 175.35 174.07 2d8k s PRO 135 N -4.33 3.18 -0.09 -1.68 0.04 -1.26 -2.39 135.00 128.47 2d8k s PRO 135 Ca 0.67 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 2d8k s PRO 135 Cb -0.21 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.06 2d8k s PRO 135 CO 0.47 -2.05 0.38 0.45 0.04 0.00 0.00 177.00 176.30 2d8k s SER 136 N 6.28 6.65 0.77 6.66 0.15 -1.25 -4.96 113.70 128.00 2d8k s SER 136 Ca 0.73 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2d8k s SER 136 Cb -0.18 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2d8k s SER 136 CO 0.30 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.51 2d8k n GLY 137 N 2.71 -1.04 3.66 9.45 0.00 -1.26 -4.78 105.19 113.93 2d8k n GLY 137 Ca -0.12 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2d8k n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8k s PRO 138 N -0.48 0.19 0.00 1.61 0.04 -1.26 -5.02 135.00 130.07 2d8k s PRO 138 Ca 0.00 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.48 2d8k s PRO 138 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2d8k s PRO 138 CO 0.00 -2.88 0.00 -1.13 0.04 0.00 0.00 177.00 173.03 2d8k n SER 139 N -4.26 3.20 -4.43 6.66 3.41 -1.26 -5.02 113.62 111.91 2d8k n SER 139 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 2d8k n SER 139 Cb 0.58 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.70 2d8k n SER 139 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d8k n SER 140 N -2.44 -1.65 0.00 4.04 3.41 -1.26 -5.23 113.62 110.50 2d8k n SER 140 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2d8k n SER 140 Cb 0.44 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2d8k n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49