#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 6.21 -0.76 1.61 0.01 -1.26 -4.92 113.70 114.60 2d8k s SER 2 Ca 0.00 -0.92 -0.31 0.00 1.31 0.00 0.00 55.95 56.02 2d8k s SER 2 Cb 0.00 -2.56 -0.17 0.00 0.21 0.00 0.00 66.02 63.50 2d8k s SER 2 CO 0.00 -1.76 2.52 -1.54 0.41 0.00 0.00 173.24 172.87 2d8k n SER 3 N 9.62 1.03 0.00 2.44 3.41 -1.26 -4.58 113.62 124.29 2d8k n SER 3 Ca 0.21 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2d8k n SER 3 Cb 0.50 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2d8k n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 4 N 6.48 -0.70 3.52 5.00 0.00 -1.26 -5.18 105.19 113.05 2d8k n GLY 4 Ca 0.55 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 5 N -4.00 -0.36 0.05 1.61 0.01 -1.26 -5.06 113.70 104.69 2d8k s SER 5 Ca 0.00 -0.04 -0.19 0.00 1.31 0.00 0.00 55.95 57.03 2d8k s SER 5 Cb 0.00 0.41 -0.13 0.00 0.21 0.00 0.00 66.02 66.51 2d8k s SER 5 CO 0.00 -0.67 1.36 -1.28 0.41 0.00 0.00 173.24 173.06 2d8k h SER 6 N 2.00 0.45 0.00 2.44 0.87 -2.02 -3.47 113.55 113.82 2d8k h SER 6 Ca -0.23 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2d8k h SER 6 Cb 1.24 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2d8k h SER 6 CO 0.31 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 178.05 2d8k n GLY 7 N 0.19 0.40 0.08 5.77 0.00 -1.26 -5.10 105.19 105.27 2d8k n GLY 7 Ca -0.06 0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 2d8k n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8k n SER 8 N 0.00 1.85 -3.79 1.61 2.88 -1.26 -4.93 113.62 109.98 2d8k n SER 8 Ca 0.00 0.42 -0.29 0.00 -1.33 0.00 0.00 58.87 57.67 2d8k n SER 8 Cb 0.00 -0.78 -0.16 0.00 -0.75 0.00 0.00 64.21 62.53 2d8k n SER 8 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2d8k s ARG 9 N -2.65 0.93 0.37 -1.46 0.52 -1.26 -5.04 118.95 110.37 2d8k s ARG 9 Ca -0.24 -0.83 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 2d8k s ARG 9 Cb 0.03 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2d8k s ARG 9 CO 0.35 -0.76 0.53 -1.21 0.02 0.00 0.00 175.30 174.23 2d8k s GLU 10 N 1.63 3.09 -0.63 3.54 0.41 -1.26 -5.01 118.70 120.47 2d8k s GLU 10 Ca 0.02 -0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 53.68 2d8k s GLU 10 Cb -0.18 -2.74 0.12 0.00 -1.78 0.00 0.00 34.13 29.55 2d8k s GLU 10 CO -0.14 -0.05 2.59 0.09 -0.49 0.00 0.00 175.26 177.26 2d8k n ASN 11 N -1.78 6.85 0.02 -0.19 3.02 -1.26 -4.62 115.26 117.29 2d8k n ASN 11 Ca 0.01 -3.31 0.02 0.00 -0.03 0.00 0.00 54.58 51.26 2d8k n ASN 11 Cb 0.58 -1.22 0.35 0.00 -0.61 0.00 0.00 39.78 38.88 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2d8k h LEU 12 N 3.99 0.45 0.00 3.41 3.38 -1.86 -3.41 115.31 121.26 2d8k h LEU 12 Ca 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2d8k h LEU 12 Cb 0.55 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2d8k h LEU 12 CO 1.04 0.47 0.00 0.61 0.09 0.00 0.00 178.44 180.65 2d8k n GLY 13 N -1.08 -0.69 3.25 0.83 0.00 -0.84 -3.89 105.19 102.78 2d8k n GLY 13 Ca 0.02 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 1.12 -0.04 1.61 1.70 -0.91 -1.04 118.95 121.39 2d8k s ARG 14 Ca 0.00 -1.53 0.01 0.00 -0.47 0.00 0.00 55.73 53.74 2d8k s ARG 14 Cb 0.00 -0.40 0.02 0.00 -0.57 0.00 0.00 34.95 34.00 2d8k s ARG 14 CO 0.00 -0.08 -0.04 -1.50 -1.08 0.00 0.00 175.30 172.60 2d8k s ILE 15 N -3.54 0.49 -0.13 4.99 2.07 -0.58 -2.68 121.20 121.81 2d8k s ILE 15 Ca 0.22 -0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 2d8k s ILE 15 Cb 0.05 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 2d8k s ILE 15 CO 0.04 0.21 0.04 -1.58 -1.91 0.00 0.00 174.94 171.73 2d8k s GLN 16 N 0.80 3.47 -0.03 3.50 0.74 -1.17 -3.53 119.66 123.43 2d8k s GLN 16 Ca -0.10 -0.36 -0.17 0.00 0.05 0.00 0.00 55.36 54.78 2d8k s GLN 16 Cb -0.13 -3.00 0.03 0.00 1.10 0.00 0.00 33.01 31.00 2d8k s GLN 16 CO 0.00 0.51 0.36 -0.59 -0.55 0.00 0.00 175.29 175.03 2d8k s PHE 17 N -0.33 -0.26 -0.14 1.67 -0.12 -1.14 -1.66 117.98 116.00 2d8k s PHE 17 Ca 0.08 0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 2d8k s PHE 17 Cb -0.12 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 2d8k s PHE 17 CO 0.02 -0.40 -0.11 0.45 -0.05 0.00 0.00 175.22 175.13 2d8k s SER 18 N -1.15 4.17 -0.06 1.98 0.15 0.12 -1.14 113.70 117.76 2d8k s SER 18 Ca -0.12 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.30 2d8k s SER 18 Cb -0.04 -1.65 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 2d8k s SER 18 CO 0.05 0.16 -0.25 0.54 1.20 0.00 0.00 173.24 174.94 2d8k s VAL 19 N 0.36 2.04 -0.30 4.45 0.11 0.65 -0.75 120.40 126.97 2d8k s VAL 19 Ca -0.09 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 57.87 2d8k s VAL 19 Cb -0.16 -1.73 0.19 0.00 -1.53 0.00 0.00 36.38 33.15 2d8k s VAL 19 CO 0.05 0.57 0.70 -0.83 -3.33 0.00 0.00 175.10 172.26 2d8k s GLY 20 N -0.07 -0.89 -0.04 6.54 0.00 -0.60 0.47 107.32 112.73 2d8k s GLY 20 Ca -0.06 1.96 -0.16 0.00 0.00 0.00 0.00 44.72 46.46 2d8k s GLY 20 CO 0.05 3.51 0.44 -0.47 0.00 0.00 0.00 173.10 176.63 2d8k s TYR 21 N 2.88 3.66 -0.25 1.90 6.14 -1.06 -2.68 117.35 127.93 2d8k s TYR 21 Ca 0.16 0.98 -0.12 0.00 0.64 0.00 0.00 57.07 58.73 2d8k s TYR 21 Cb -0.13 -2.40 -0.05 0.00 0.42 0.00 0.00 41.96 39.80 2d8k s TYR 21 CO -0.20 0.47 0.22 -0.80 0.64 0.00 0.00 175.55 175.89 2d8k s ASN 22 N -0.48 6.14 0.03 4.32 -0.87 -0.25 -4.53 114.94 119.30 2d8k s ASN 22 Ca 0.25 0.14 -0.23 0.00 -1.57 0.00 0.00 52.86 51.45 2d8k s ASN 22 Cb -0.16 -2.14 -0.13 0.00 -0.02 0.00 0.00 41.25 38.80 2d8k s ASN 22 CO 0.13 -0.02 1.20 -0.26 -2.57 0.00 0.00 177.10 175.57 2d8k h PHE 23 N 7.85 -0.78 -0.48 2.20 -1.00 -1.93 1.24 116.94 124.04 2d8k h PHE 23 Ca -0.36 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.47 2d8k h PHE 23 Cb 1.17 0.26 -0.09 0.00 3.61 0.00 0.00 35.95 40.90 2d8k h PHE 23 CO 0.71 -0.48 -0.48 1.96 -1.61 0.00 0.00 178.31 178.41 2d8k h GLN 24 N -0.95 -0.30 0.00 1.51 4.20 -1.99 0.43 115.11 118.01 2d8k h GLN 24 Ca -0.09 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2d8k h GLN 24 Cb 0.64 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2d8k h GLN 24 CO 0.14 -0.20 0.00 0.93 -0.67 0.00 0.00 178.83 179.03 2d8k h GLU 25 N -0.31 0.00 -6.38 1.46 5.08 -1.99 -3.47 114.58 108.97 2d8k h GLU 25 Ca 0.13 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.02 2d8k h GLU 25 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2d8k h GLU 25 CO -0.63 0.00 -0.90 -1.13 -1.00 0.00 0.00 179.01 175.35 2d8k n SER 26 N -2.61 -1.91 -4.01 1.42 3.41 0.42 -4.98 113.62 105.36 2d8k n SER 26 Ca 0.02 -1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 57.52 2d8k n SER 26 Cb 0.32 -3.22 -0.12 0.00 -0.26 0.00 0.00 64.21 60.93 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d8k s THR 27 N -3.78 0.33 -0.11 6.66 2.01 -0.84 -4.52 115.64 115.39 2d8k s THR 27 Ca 0.15 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 2d8k s THR 27 Cb -0.06 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 2d8k s THR 27 CO 0.87 -0.36 0.30 -0.22 -0.69 0.00 0.00 174.62 174.53 2d8k s LEU 28 N -1.31 4.33 -0.21 4.42 2.96 -1.22 -1.09 118.68 126.57 2d8k s LEU 28 Ca -0.11 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2d8k s LEU 28 Cb -0.09 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2d8k s LEU 28 CO -0.00 0.21 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.21 2d8k s THR 29 N -0.18 2.48 -0.29 3.68 2.01 -1.09 -2.70 115.64 119.55 2d8k s THR 29 Ca 0.18 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2d8k s THR 29 Cb -0.14 -2.15 0.08 0.00 0.01 0.00 0.00 72.50 70.31 2d8k s THR 29 CO 0.06 0.40 0.02 -0.69 -0.69 0.00 0.00 174.62 173.72 2d8k s VAL 30 N 1.32 1.67 -0.16 3.82 1.01 -0.99 -1.56 120.40 125.50 2d8k s VAL 30 Ca 0.03 -1.70 -0.07 0.00 0.00 0.00 0.00 61.98 60.24 2d8k s VAL 30 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2d8k s VAL 30 CO -0.09 -0.43 0.08 -0.75 0.00 0.00 0.00 175.10 173.92 2d8k s LYS 31 N 1.26 3.77 -0.64 2.72 2.20 0.07 -2.48 119.74 126.64 2d8k s LYS 31 Ca 0.04 -0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 2d8k s LYS 31 Cb -0.19 -3.19 0.17 0.00 -1.51 0.00 0.00 37.83 33.12 2d8k s LYS 31 CO -0.12 0.44 0.52 0.42 -0.36 0.00 0.00 175.35 176.25 2d8k s ILE 32 N -0.08 4.57 0.00 5.43 -1.09 -1.15 0.11 121.20 128.98 2d8k s ILE 32 Ca 0.08 -2.38 0.00 0.00 -2.23 0.00 0.00 60.65 56.12 2d8k s ILE 32 Cb -0.12 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 2d8k s ILE 32 CO 0.01 -0.90 0.73 0.23 -1.23 0.00 0.00 174.94 173.78 2d8k n MET 33 N 4.16 0.00 -3.86 2.79 2.81 -0.66 -0.02 117.12 122.34 2d8k n MET 33 Ca 0.04 0.69 0.02 0.00 -1.81 0.00 0.00 57.70 56.64 2d8k n MET 33 Cb 0.42 -1.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 2d8k n MET 33 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2d8k n LYS 34 N -1.86 0.25 -4.36 0.03 0.00 -1.24 -2.16 118.16 108.81 2d8k n LYS 34 Ca 0.00 -0.85 -0.29 0.00 -0.00 0.00 0.00 58.31 57.17 2d8k n LYS 34 Cb 0.00 1.33 -0.12 0.00 -0.00 0.00 0.00 35.03 36.24 2d8k n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2d8k s ALA 35 N -1.96 2.63 0.03 0.58 0.00 -0.95 -3.06 121.76 119.03 2d8k s ALA 35 Ca 0.27 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 2d8k s ALA 35 Cb -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2d8k s ALA 35 CO 0.00 0.58 0.08 -0.65 0.00 0.00 0.00 175.76 175.78 2d8k s GLN 36 N -2.04 0.53 -1.23 0.00 -1.52 -1.09 -4.14 119.66 110.17 2d8k s GLN 36 Ca 0.17 -0.68 -0.01 0.00 -1.95 0.00 0.00 55.36 52.89 2d8k s GLN 36 Cb -0.10 0.21 0.00 0.00 -0.22 0.00 0.00 33.01 32.90 2d8k s GLN 36 CO 0.09 -0.13 0.96 0.39 -0.25 0.00 0.00 175.29 176.36 2d8k n GLU 37 N 0.99 -6.43 -3.62 2.91 1.02 -1.26 -2.15 120.64 112.09 2d8k n GLU 37 Ca -0.20 0.81 -0.37 0.00 -0.02 0.00 0.00 57.16 57.37 2d8k n GLU 37 Cb 0.58 -5.75 -0.06 0.00 -0.02 0.00 0.00 31.44 26.18 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 -6.49 4.37 0.93 -4.62 1.43 -1.25 -1.99 118.68 111.06 2d8k s LEU 38 Ca 0.05 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 2d8k s LEU 38 Cb -0.02 -2.36 0.15 0.00 0.03 0.00 0.00 46.19 43.99 2d8k s LEU 38 CO 0.74 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 176.53 2d8k s PRO 39 N -0.52 0.97 -0.11 1.29 0.04 -1.26 -4.91 135.00 130.51 2d8k s PRO 39 Ca 0.19 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 2d8k s PRO 39 Cb -0.14 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2d8k s PRO 39 CO 0.07 -2.41 -0.01 0.00 0.04 0.00 0.00 177.00 174.69 2d8k s ALA 40 N -2.95 3.20 -0.35 8.56 0.00 -1.26 -4.74 121.76 124.23 2d8k s ALA 40 Ca 0.64 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.86 2d8k s ALA 40 Cb -0.18 -1.50 0.56 0.00 0.00 0.00 0.00 23.12 22.00 2d8k s ALA 40 CO 0.57 0.48 1.62 1.63 0.00 0.00 0.00 175.76 180.05 2d8k n LYS 41 N 2.55 1.98 -3.95 0.00 4.76 -1.23 -4.99 118.16 117.28 2d8k n LYS 41 Ca -0.18 -3.15 -0.09 0.00 -2.87 0.00 0.00 58.31 52.02 2d8k n LYS 41 Cb 0.53 -1.94 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 2d8k n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d8k s ASP 42 N -2.15 0.02 0.07 4.39 2.15 -1.25 -5.02 116.67 114.86 2d8k s ASP 42 Ca 0.49 -0.96 -0.12 0.00 0.43 0.00 0.00 52.55 52.39 2d8k s ASP 42 Cb 0.43 0.67 -0.27 0.00 -0.30 0.00 0.00 42.92 43.45 2d8k s ASP 42 CO 0.03 -1.29 1.12 -0.26 -0.17 0.00 0.00 175.17 174.60 2d8k h PHE 43 N 2.14 0.89 0.11 -5.34 -1.00 -1.94 -3.35 116.94 108.45 2d8k h PHE 43 Ca -0.26 -0.57 0.02 0.00 2.81 0.00 0.00 57.97 59.97 2d8k h PHE 43 Cb 1.25 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 40.69 2d8k h PHE 43 CO 0.69 1.42 -0.48 1.03 -1.61 0.00 0.00 178.31 179.36 2d8k h SER 44 N 0.23 -1.44 0.00 2.17 0.87 -2.01 -3.46 113.55 109.91 2d8k h SER 44 Ca -0.18 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2d8k h SER 44 Cb 1.91 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 64.41 2d8k h SER 44 CO 0.23 -0.53 0.00 0.61 -0.53 0.00 0.00 176.83 176.61 2d8k n GLY 45 N -1.48 0.52 3.50 5.77 0.00 -1.26 -5.17 105.19 107.07 2d8k n GLY 45 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.77 0.00 0.19 2.61 -1.32 -1.26 -4.94 115.64 110.16 2d8k s THR 46 Ca 0.00 -1.55 -0.23 0.00 -1.21 0.00 0.00 61.69 58.70 2d8k s THR 46 Cb 0.00 -2.35 0.05 0.00 -1.51 0.00 0.00 72.50 68.69 2d8k s THR 46 CO 0.00 0.00 0.67 -0.94 -2.21 0.00 0.00 174.62 172.14 2d8k s SER 47 N -3.09 -0.44 -0.93 8.08 1.04 -1.26 -3.50 113.70 113.59 2d8k s SER 47 Ca 0.27 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 2d8k s SER 47 Cb 0.01 0.63 0.29 0.00 0.10 0.00 0.00 66.02 67.05 2d8k s SER 47 CO 0.12 -1.08 1.22 -0.90 0.98 0.00 0.00 173.24 173.58 2d8k n ASP 48 N -0.40 5.50 -4.77 7.02 5.75 -1.26 -1.93 116.55 126.45 2d8k n ASP 48 Ca -0.12 -3.41 -0.37 0.00 -0.01 0.00 0.00 54.79 50.88 2d8k n ASP 48 Cb 0.63 -1.07 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 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 -2.63 3.85 -0.09 0.11 0.04 -1.26 -2.87 135.00 132.16 2d8k s PRO 49 Ca 0.34 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2d8k s PRO 49 Cb 0.07 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 32.14 2d8k s PRO 49 CO 0.06 -0.48 0.34 -0.59 0.04 0.00 0.00 177.00 176.37 2d8k s PHE 50 N -1.49 -0.31 0.18 0.56 -0.71 0.13 -4.01 117.98 112.32 2d8k s PHE 50 Ca 0.61 0.69 -0.18 0.00 -1.04 0.00 0.00 56.93 57.01 2d8k s PHE 50 Cb -0.30 0.12 -0.08 0.00 -1.21 0.00 0.00 43.02 41.56 2d8k s PHE 50 CO 0.36 -0.27 0.65 0.08 -1.34 0.00 0.00 175.22 174.71 2d8k s VAL 51 N -0.40 4.68 -0.25 -2.49 1.01 -1.26 -2.03 120.40 119.67 2d8k s VAL 51 Ca -0.05 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.06 2d8k s VAL 51 Cb -0.03 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2d8k s VAL 51 CO 0.02 0.26 -0.09 -0.54 0.00 0.00 0.00 175.10 174.75 2d8k s LYS 52 N -1.87 2.50 -0.34 2.72 1.02 0.76 -0.87 119.74 123.66 2d8k s LYS 52 Ca 0.40 -1.18 -0.17 0.00 0.02 0.00 0.00 55.97 55.03 2d8k s LYS 52 Cb -0.16 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2d8k s LYS 52 CO 0.20 -0.49 0.48 0.42 -0.92 0.00 0.00 175.35 175.04 2d8k s ILE 53 N 1.20 5.05 -0.05 2.17 1.01 0.37 -2.47 121.20 128.49 2d8k s ILE 53 Ca -0.04 0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2d8k s ILE 53 Cb -0.18 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2d8k s ILE 53 CO -0.05 -0.17 -0.06 -0.31 0.00 0.00 0.00 174.94 174.35 2d8k s TYR 54 N 2.31 0.89 -0.99 3.97 1.51 -0.74 0.02 117.35 124.32 2d8k s TYR 54 Ca 0.17 -0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 55.83 2d8k s TYR 54 Cb -0.16 -0.75 0.23 0.00 -0.11 0.00 0.00 41.96 41.17 2d8k s TYR 54 CO 0.13 -0.21 1.01 -0.51 -1.11 0.00 0.00 175.55 174.85 2d8k s LEU 55 N 0.89 6.24 0.55 -1.29 1.43 -1.25 -1.89 118.68 123.36 2d8k s LEU 55 Ca -0.11 -3.00 -0.19 0.00 -1.03 0.00 0.00 54.13 49.79 2d8k s LEU 55 Cb -0.15 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2d8k s LEU 55 CO 0.01 -0.53 1.10 -0.76 0.23 0.00 0.00 176.35 176.40 2d8k s LEU 56 N 0.03 3.70 0.30 1.79 1.43 -1.16 -1.45 118.68 123.33 2d8k s LEU 56 Ca 0.27 2.08 0.08 0.00 -1.03 0.00 0.00 54.13 55.53 2d8k s LEU 56 Cb -0.09 -4.57 0.46 0.00 0.03 0.00 0.00 46.19 42.03 2d8k s LEU 56 CO -0.08 -1.18 1.69 1.55 0.23 0.00 0.00 176.35 178.56 2d8k h PRO 57 N 1.07 0.14 -5.07 1.29 0.13 -1.90 -2.42 132.00 125.23 2d8k h PRO 57 Ca -0.49 -0.07 -0.65 0.00 -0.87 0.00 0.00 66.00 63.91 2d8k h PRO 57 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2d8k h PRO 57 CO 0.57 0.58 1.09 -0.25 -0.23 0.00 0.00 178.00 179.77 2d8k n ASP 58 N -3.97 0.65 -1.14 1.44 9.92 -0.53 -4.77 116.55 118.15 2d8k n ASP 58 Ca -0.02 0.59 0.06 0.00 -0.53 0.00 0.00 54.79 54.90 2d8k n ASP 58 Cb 0.51 -0.76 0.28 0.00 -0.64 0.00 0.00 41.12 40.51 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2d8k n LYS 59 N 6.21 3.17 0.00 -1.24 5.02 -1.26 -3.81 118.16 126.24 2d8k n LYS 59 Ca 0.46 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 2d8k n LYS 59 Cb -0.03 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 2d8k n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2d8k n LYS 60 N -0.39 0.00 -1.07 1.97 4.76 -1.26 -4.67 118.16 117.50 2d8k n LYS 60 Ca 0.25 0.06 -0.43 0.00 -2.87 0.00 0.00 58.31 55.33 2d8k n LYS 60 Cb 0.99 -0.50 -0.06 0.00 -1.84 0.00 0.00 35.03 33.61 2d8k n LYS 60 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2d8k n HIS 61 N -2.27 1.67 -3.96 2.13 8.25 -1.26 -4.89 115.22 114.89 2d8k n HIS 61 Ca 0.00 -1.69 -0.36 0.00 -0.26 0.00 0.00 57.72 55.41 2d8k n HIS 61 Cb 0.00 -1.61 -0.06 0.00 1.12 0.00 0.00 29.99 29.43 2d8k n HIS 61 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2d8k s LYS 62 N 5.12 3.36 0.27 -0.41 -2.85 -1.26 -4.49 119.74 119.47 2d8k s LYS 62 Ca 0.57 -0.21 0.03 0.00 -1.00 0.00 0.00 55.97 55.36 2d8k s LYS 62 Cb 0.14 -3.10 -0.06 0.00 -2.06 0.00 0.00 37.83 32.75 2d8k s LYS 62 CO 0.13 0.75 0.05 -0.51 0.10 0.00 0.00 175.35 175.87 2d8k s LEU 63 N -1.18 1.99 0.29 2.77 1.02 0.10 -5.02 118.68 118.65 2d8k s LEU 63 Ca 0.17 -1.33 -0.07 0.00 0.02 0.00 0.00 54.13 52.93 2d8k s LEU 63 Cb -0.12 -0.20 -0.00 0.00 0.02 0.00 0.00 46.19 45.89 2d8k s LEU 63 CO 0.06 -0.62 0.45 -1.61 0.02 0.00 0.00 176.35 174.65 2d8k s GLU 64 N -3.93 1.70 0.06 1.70 8.01 -1.26 0.14 118.70 125.12 2d8k s GLU 64 Ca 0.34 -1.55 0.02 0.00 0.01 0.00 0.00 54.97 53.80 2d8k s GLU 64 Cb 0.07 0.44 -0.04 0.00 -4.31 0.00 0.00 34.13 30.29 2d8k s GLU 64 CO 0.13 -0.70 0.09 0.95 0.01 0.00 0.00 175.26 175.74 2d8k s THR 65 N -3.52 4.64 0.97 3.63 -4.23 -0.05 -4.89 115.64 112.19 2d8k s THR 65 Ca 0.28 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.97 2d8k s THR 65 Cb 0.00 -3.22 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2d8k s THR 65 CO 0.15 0.17 -0.13 0.29 -0.54 0.00 0.00 174.62 174.55 2d8k n LYS 66 N 0.57 -0.16 -3.69 3.99 4.76 -1.26 -4.38 118.16 117.98 2d8k n LYS 66 Ca -0.09 -0.02 -0.38 0.00 -2.87 0.00 0.00 58.31 54.95 2d8k n LYS 66 Cb 0.52 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.22 4.59 -0.81 -0.18 1.01 -1.26 -4.69 120.40 116.84 2d8k s VAL 67 Ca 0.49 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2d8k s VAL 67 Cb -0.20 -3.23 0.16 0.00 0.00 0.00 0.00 36.38 33.12 2d8k s VAL 67 CO 0.74 0.22 0.88 -0.54 0.00 0.00 0.00 175.10 176.41 2d8k s LYS 68 N 1.64 3.48 0.36 2.72 -0.14 -1.26 -5.03 119.74 121.50 2d8k s LYS 68 Ca 0.06 -1.96 -0.28 0.00 -1.36 0.00 0.00 55.97 52.42 2d8k s LYS 68 Cb -0.16 -4.57 -0.11 0.00 -1.68 0.00 0.00 37.83 31.31 2d8k s LYS 68 CO 0.06 -1.52 1.50 0.54 -0.76 0.00 0.00 175.35 175.17 2d8k n ARG 69 N 5.42 2.64 -3.37 1.68 5.12 -1.26 -2.92 116.66 123.97 2d8k n ARG 69 Ca 0.12 0.93 -0.16 0.00 -1.93 0.00 0.00 57.85 56.81 2d8k n ARG 69 Cb 0.47 -2.66 0.08 0.00 -1.16 0.00 0.00 32.46 29.19 2d8k n ARG 69 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2d8k n LYS 70 N 0.84 -5.49 -3.23 5.56 5.02 -1.24 -4.99 118.16 114.64 2d8k n LYS 70 Ca 0.03 0.85 0.03 0.00 -2.02 0.00 0.00 58.31 57.20 2d8k n LYS 70 Cb 0.38 -5.82 -0.01 0.00 -0.02 0.00 0.00 35.03 29.55 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2d8k s ASN 71 N -4.11 -1.33 -0.04 4.39 3.84 -0.81 -4.88 114.94 112.01 2d8k s ASN 71 Ca 0.11 0.97 0.09 0.00 0.21 0.00 0.00 52.86 54.24 2d8k s ASN 71 Cb -0.01 2.17 -0.24 0.00 -0.55 0.00 0.00 41.25 42.62 2d8k s ASN 71 CO 0.72 -0.25 0.67 -0.07 -2.79 0.00 0.00 177.10 175.38 2d8k h LEU 72 N 8.00 0.07 -4.36 3.21 3.38 -1.87 -3.36 115.31 120.37 2d8k h LEU 72 Ca -0.22 -0.15 -0.60 0.00 0.09 0.00 0.00 57.88 57.00 2d8k h LEU 72 Cb 1.15 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.47 2d8k h LEU 72 CO 0.23 1.13 -0.53 0.59 0.09 0.00 0.00 178.44 179.95 2d8k n ASN 73 N -3.14 5.13 -4.70 -0.43 3.02 -1.26 -4.28 115.26 109.60 2d8k n ASN 73 Ca -0.18 -3.74 -0.29 0.00 -0.03 0.00 0.00 54.58 50.34 2d8k n ASN 73 Cb 1.04 -0.51 0.16 0.00 -0.61 0.00 0.00 39.78 39.87 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 -3.61 0.84 -0.17 3.52 0.04 -1.26 -4.71 135.00 129.64 2d8k s PRO 74 Ca 0.50 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.20 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 -0.15 -2.49 -0.08 -1.01 0.04 0.00 0.00 177.00 173.30 2d8k s HIS 75 N -2.95 2.01 -0.15 0.56 3.76 -1.26 -2.24 115.29 115.01 2d8k s HIS 75 Ca 0.64 -1.27 -0.18 0.00 -0.15 0.00 0.00 55.06 54.10 2d8k s HIS 75 Cb -0.18 -1.47 -0.15 0.00 1.11 0.00 0.00 32.58 31.89 2d8k s HIS 75 CO 0.57 -0.66 0.30 -1.49 -0.85 0.00 0.00 174.74 172.61 2d8k h TRP 76 N 8.06 0.00 -4.87 1.40 6.55 -1.68 -3.48 115.95 121.93 2d8k h TRP 76 Ca -0.28 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.23 2d8k h TRP 76 Cb 1.11 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.37 2d8k h TRP 76 CO 0.47 0.82 -0.48 0.09 -1.05 0.00 0.00 178.44 178.29 2d8k n ASN 77 N -4.59 -3.94 -4.88 -3.49 3.02 0.97 -4.93 115.26 97.43 2d8k n ASN 77 Ca -0.15 -0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 53.92 2d8k n ASN 77 Cb 0.42 -3.28 -0.00 0.00 -0.61 0.00 0.00 39.78 36.31 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2d8k s GLU 78 N -5.67 3.63 -0.30 3.52 0.41 -1.25 -4.84 118.70 114.19 2d8k s GLU 78 Ca 0.26 0.51 0.02 0.00 -0.41 0.00 0.00 54.97 55.36 2d8k s GLU 78 Cb -0.14 -2.24 0.08 0.00 -1.78 0.00 0.00 34.13 30.05 2d8k s GLU 78 CO 0.33 -0.33 0.01 0.99 -0.49 0.00 0.00 175.26 175.76 2d8k s THR 79 N -2.85 1.88 0.09 3.63 2.01 -1.26 -2.93 115.64 116.21 2d8k s THR 79 Ca 0.52 -1.84 -0.13 0.00 0.31 0.00 0.00 61.69 60.55 2d8k s THR 79 Cb -0.11 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 2d8k s THR 79 CO 0.45 -0.40 0.48 -0.36 -0.69 0.00 0.00 174.62 174.10 2d8k s PHE 80 N 1.15 3.64 -0.03 4.92 0.40 -1.04 -4.96 117.98 122.06 2d8k s PHE 80 Ca 0.04 0.98 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 2d8k s PHE 80 Cb -0.19 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.06 2d8k s PHE 80 CO -0.10 0.51 -0.05 -0.51 0.70 0.00 0.00 175.22 175.77 2d8k s LEU 81 N -1.72 1.51 -0.35 -0.37 1.43 -1.26 -2.35 118.68 115.58 2d8k s LEU 81 Ca 0.33 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2d8k s LEU 81 Cb -0.15 -0.42 0.09 0.00 0.03 0.00 0.00 46.19 45.73 2d8k s LEU 81 CO 0.18 -0.02 0.08 -0.36 0.23 0.00 0.00 176.35 176.46 2d8k s PHE 82 N 0.62 3.53 0.10 0.29 0.08 -1.10 -4.97 117.98 116.54 2d8k s PHE 82 Ca -0.08 -2.45 -0.07 0.00 0.12 0.00 0.00 56.93 54.45 2d8k s PHE 82 Cb -0.12 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.54 2d8k s PHE 82 CO 0.00 -0.92 0.36 -1.21 -0.10 0.00 0.00 175.22 173.36 2d8k s GLU 83 N 1.09 3.65 0.00 0.44 2.02 -1.26 -3.39 118.70 121.25 2d8k s GLU 83 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2d8k s GLU 83 Cb -0.21 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2d8k s GLU 83 CO -0.05 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.17 2d8k n GLY 84 N 0.54 0.89 2.74 -1.39 0.00 -1.26 -5.08 105.19 101.63 2d8k n GLY 84 Ca -0.06 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 0.97 0.42 1.61 0.40 -1.26 -5.13 117.98 112.99 2d8k s PHE 85 Ca 0.00 -0.75 -0.24 0.00 -0.60 0.00 0.00 56.93 55.34 2d8k s PHE 85 Cb 0.00 -0.99 -0.08 0.00 0.51 0.00 0.00 43.02 42.46 2d8k s PHE 85 CO 0.00 -0.57 1.18 -1.25 0.70 0.00 0.00 175.22 175.28 2d8k s PRO 86 N 1.88 3.93 0.14 0.24 0.04 -1.26 -4.66 135.00 135.31 2d8k s PRO 86 Ca 0.00 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 2d8k s PRO 86 Cb -0.16 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2d8k s PRO 86 CO -0.08 -0.43 1.57 -0.92 0.04 0.00 0.00 177.00 177.19 2d8k h TYR 87 N 2.41 -1.35 -1.23 0.56 5.03 -1.95 0.47 116.97 120.91 2d8k h TYR 87 Ca -0.49 0.07 0.36 0.00 2.58 0.00 0.00 58.73 61.25 2d8k h TYR 87 Cb 1.24 0.64 -0.05 0.00 1.55 0.00 0.00 36.73 40.11 2d8k h TYR 87 CO 0.54 -0.46 1.23 1.05 -1.32 0.00 0.00 178.16 179.20 2d8k h GLU 88 N -0.38 0.00 0.00 1.82 4.11 -2.01 -0.57 114.58 117.55 2d8k h GLU 88 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 2d8k h GLU 88 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2d8k h GLU 88 CO -0.55 0.00 -0.89 1.63 0.07 0.00 0.00 179.01 179.27 2d8k n LYS 89 N -3.45 0.51 -0.50 1.06 5.02 0.13 -4.22 118.16 116.71 2d8k n LYS 89 Ca 0.28 0.28 0.40 0.00 -2.02 0.00 0.00 58.31 57.25 2d8k n LYS 89 Cb 1.60 -1.49 0.66 0.00 -0.02 0.00 0.00 35.03 35.78 2d8k n LYS 89 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2d8k n VAL 90 N -4.49 -0.16 -0.13 -0.18 3.14 0.93 0.21 118.33 117.65 2d8k n VAL 90 Ca -0.13 1.55 -0.11 0.00 -2.96 0.00 0.00 64.34 62.70 2d8k n VAL 90 Cb 0.46 -2.56 -0.02 0.00 -1.06 0.00 0.00 33.84 30.67 2d8k n VAL 90 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2d8k h VAL 91 N 0.00 1.27 0.00 1.55 -1.51 -1.36 -2.45 116.25 113.75 2d8k h VAL 91 Ca 0.82 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2d8k h VAL 91 Cb 2.86 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 33.26 2d8k h VAL 91 CO -0.30 0.37 0.00 0.00 -1.23 0.00 0.00 177.57 176.42 2d8k n GLN 92 N -4.40 0.04 -2.39 5.19 6.02 0.57 -2.81 117.38 119.59 2d8k n GLN 92 Ca -0.02 0.49 -0.25 0.00 -0.01 0.00 0.00 57.00 57.22 2d8k n GLN 92 Cb 0.33 -1.62 0.09 0.00 1.02 0.00 0.00 30.24 30.06 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 -3.14 1.86 -0.05 -1.09 1.81 -0.92 -4.84 118.95 112.58 2d8k s ARG 93 Ca 0.01 -0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 53.32 2d8k s ARG 93 Cb 0.03 -2.24 0.03 0.00 -0.45 0.00 0.00 34.95 32.32 2d8k s ARG 93 CO 0.10 -1.38 0.01 0.42 -0.68 0.00 0.00 175.30 173.77 2d8k s ILE 94 N -3.21 0.21 -0.03 1.52 1.01 -0.91 -2.86 121.20 116.94 2d8k s ILE 94 Ca 0.64 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 2d8k s ILE 94 Cb -0.08 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 2d8k s ILE 94 CO 0.44 0.19 1.49 -0.22 0.00 0.00 0.00 174.94 176.84 2d8k s LEU 95 N 1.51 4.30 -0.29 2.97 2.96 -0.48 -2.97 118.68 126.68 2d8k s LEU 95 Ca -0.03 2.13 0.02 0.00 -0.22 0.00 0.00 54.13 56.03 2d8k s LEU 95 Cb -0.13 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.08 2d8k s LEU 95 CO -0.03 -0.81 -0.05 -0.47 -1.32 0.00 0.00 176.35 173.68 2d8k s TYR 96 N 3.10 3.35 -0.24 5.38 6.14 -0.79 -2.57 117.35 131.70 2d8k s TYR 96 Ca 0.67 -2.31 -0.02 0.00 0.64 0.00 0.00 57.07 56.05 2d8k s TYR 96 Cb -0.31 -2.16 0.02 0.00 0.42 0.00 0.00 41.96 39.93 2d8k s TYR 96 CO 0.26 -0.87 -0.07 -0.51 0.64 0.00 0.00 175.55 175.00 2d8k s LEU 97 N 1.11 3.14 -0.11 6.97 1.43 -1.06 -1.78 118.68 128.38 2d8k s LEU 97 Ca -0.05 -0.85 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2d8k s LEU 97 Cb -0.20 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 2d8k s LEU 97 CO -0.04 -0.12 -0.22 -1.58 0.23 0.00 0.00 176.35 174.62 2d8k s GLN 98 N 1.33 3.09 -0.29 1.70 0.74 -1.03 -0.47 119.66 124.73 2d8k s GLN 98 Ca 0.01 -0.85 -0.06 0.00 0.05 0.00 0.00 55.36 54.50 2d8k s GLN 98 Cb -0.16 -2.37 0.01 0.00 1.10 0.00 0.00 33.01 31.59 2d8k s GLN 98 CO -0.05 0.15 0.07 0.08 -0.55 0.00 0.00 175.29 175.00 2d8k s VAL 99 N 0.42 3.86 0.28 1.34 1.01 -0.15 -0.17 120.40 126.99 2d8k s VAL 99 Ca -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2d8k s VAL 99 Cb -0.17 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2d8k s VAL 99 CO 0.07 0.07 0.36 -1.48 0.00 0.00 0.00 175.10 174.12 2d8k s LEU 100 N 1.48 0.98 -0.00 3.92 2.34 -0.86 -2.53 118.68 124.01 2d8k s LEU 100 Ca 0.02 -1.36 -0.02 0.00 0.06 0.00 0.00 54.13 52.83 2d8k s LEU 100 Cb -0.17 1.13 -0.04 0.00 -0.56 0.00 0.00 46.19 46.55 2d8k s LEU 100 CO 0.02 -1.11 0.16 -0.62 -1.06 0.00 0.00 176.35 173.74 2d8k s ASP 101 N -3.18 6.21 0.05 1.48 -1.08 -1.26 0.17 116.67 119.07 2d8k s ASP 101 Ca 0.32 0.29 -0.30 0.00 -0.52 0.00 0.00 52.55 52.34 2d8k s ASP 101 Cb 0.02 -1.91 -0.04 0.00 -1.46 0.00 0.00 42.92 39.53 2d8k s ASP 101 CO 0.16 0.25 0.98 -0.47 0.52 0.00 0.00 175.17 176.61 2d8k s TYR 102 N -1.32 3.72 0.11 -5.34 6.14 -1.14 -4.44 117.35 115.09 2d8k s TYR 102 Ca 0.27 1.74 0.03 0.00 0.64 0.00 0.00 57.07 59.75 2d8k s TYR 102 Cb -0.13 -3.10 -0.04 0.00 0.42 0.00 0.00 41.96 39.12 2d8k s TYR 102 CO 0.19 0.07 0.12 0.34 0.64 0.00 0.00 175.55 176.91 2d8k s ASP 103 N 0.56 5.68 0.17 4.32 2.15 -1.26 -4.92 116.67 123.37 2d8k s ASP 103 Ca 0.50 0.00 -0.15 0.00 0.43 0.00 0.00 52.55 53.33 2d8k s ASP 103 Cb -0.22 -1.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.91 2d8k s ASP 103 CO 0.29 0.13 1.80 0.03 -0.17 0.00 0.00 175.17 177.26 2d8k h ARG 104 N 2.94 0.51 -6.23 4.34 3.08 -1.97 -3.44 114.38 113.61 2d8k h ARG 104 Ca -0.47 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.00 2d8k h ARG 104 Cb 1.18 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2d8k h ARG 104 CO 0.67 0.34 -0.20 -0.06 -1.07 0.00 0.00 179.97 179.64 2d8k s PHE 105 N -6.15 1.41 0.16 3.04 0.40 -1.26 -5.03 117.98 110.56 2d8k s PHE 105 Ca -0.13 -0.82 -0.23 0.00 -0.60 0.00 0.00 56.93 55.15 2d8k s PHE 105 Cb 0.12 -2.02 0.06 0.00 0.51 0.00 0.00 43.02 41.69 2d8k s PHE 105 CO 0.73 -0.82 1.60 0.77 0.70 0.00 0.00 175.22 178.20 2d8k h SER 106 N 0.46 -1.05 0.00 1.36 0.02 -2.05 -3.40 113.55 108.89 2d8k h SER 106 Ca -0.33 0.19 -0.55 0.00 -0.84 0.00 0.00 61.79 60.26 2d8k h SER 106 Cb 1.30 0.50 -0.06 0.00 0.14 0.00 0.00 62.40 64.27 2d8k h SER 106 CO 0.50 -0.32 1.40 -2.11 -1.14 0.00 0.00 176.83 175.17 2d8k n ARG 107 N -5.41 0.00 -4.23 3.45 1.85 -1.26 -4.88 116.66 106.17 2d8k n ARG 107 Ca 0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.54 2d8k n ARG 107 Cb 0.33 -1.34 -0.08 0.00 -1.05 0.00 0.00 32.46 30.32 2d8k n ARG 107 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2d8k s ASN 108 N 6.89 5.17 -0.56 2.89 4.22 -1.26 -4.66 114.94 127.62 2d8k s ASN 108 Ca 1.15 -0.02 0.01 0.00 -2.14 0.00 0.00 52.86 51.86 2d8k s ASN 108 Cb -1.22 -1.35 0.14 0.00 1.28 0.00 0.00 41.25 40.11 2d8k s ASN 108 CO 0.50 0.26 0.34 -1.81 -2.04 0.00 0.00 177.10 174.35 2d8k s ASP 109 N -1.73 4.76 0.02 3.54 1.01 -1.26 -5.04 116.67 117.97 2d8k s ASP 109 Ca 0.21 -2.91 -0.30 0.00 0.71 0.00 0.00 52.55 50.26 2d8k s ASP 109 Cb -0.12 -1.74 -0.06 0.00 1.01 0.00 0.00 42.92 42.01 2d8k s ASP 109 CO 0.12 -0.30 1.44 -2.16 0.21 0.00 0.00 175.17 174.48 2d8k s PRO 110 N -0.14 4.27 -0.12 8.23 0.04 -1.26 -3.98 135.00 142.04 2d8k s PRO 110 Ca 0.17 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 2d8k s PRO 110 Cb -0.23 -3.56 -0.27 0.00 0.04 0.00 0.00 34.50 30.49 2d8k s PRO 110 CO -0.02 -0.59 0.81 0.82 0.04 0.00 0.00 177.00 178.07 2d8k h ILE 111 N 4.86 1.73 -2.01 0.56 2.04 -1.83 -3.42 117.51 119.43 2d8k h ILE 111 Ca -0.39 -2.34 0.32 0.00 1.00 0.00 0.00 64.86 63.45 2d8k h ILE 111 Cb 1.18 3.31 -0.08 0.00 -0.74 0.00 0.00 36.82 40.50 2d8k h ILE 111 CO 0.90 0.62 0.86 -0.83 0.00 0.00 0.00 178.15 179.70 2d8k s GLY 112 N -4.22 -0.17 0.28 5.37 0.00 -1.05 -3.93 107.32 103.59 2d8k s GLY 112 Ca -0.18 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 2d8k s GLY 112 CO 0.72 4.09 0.79 -1.83 0.00 0.00 0.00 173.10 176.87 2d8k s GLU 113 N -2.13 1.76 0.02 2.90 4.04 -0.95 -0.98 118.70 123.36 2d8k s GLU 113 Ca 0.25 -1.02 0.01 0.00 0.04 0.00 0.00 54.97 54.25 2d8k s GLU 113 Cb 0.00 0.57 -0.01 0.00 0.02 0.00 0.00 34.13 34.71 2d8k s GLU 113 CO -0.01 -0.81 -0.04 0.08 -1.84 0.00 0.00 175.26 172.64 2d8k s VAL 114 N -3.40 0.26 -0.15 1.83 1.01 0.39 -1.59 120.40 118.74 2d8k s VAL 114 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2d8k s VAL 114 Cb -0.05 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.04 2d8k s VAL 114 CO 0.07 -0.27 -0.09 -0.94 0.00 0.00 0.00 175.10 173.87 2d8k s SER 115 N -0.98 2.70 -0.07 3.32 1.04 -1.26 -2.55 113.70 115.90 2d8k s SER 115 Ca -0.08 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 2d8k s SER 115 Cb -0.07 -1.03 0.04 0.00 0.10 0.00 0.00 66.02 65.07 2d8k s SER 115 CO -0.00 -0.12 0.13 -0.63 0.98 0.00 0.00 173.24 173.60 2d8k s ILE 116 N 1.57 -0.18 0.30 -1.02 1.01 -1.06 -5.04 121.20 116.77 2d8k s ILE 116 Ca 0.03 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 2d8k s ILE 116 Cb -0.14 -0.25 -0.10 0.00 0.01 0.00 0.00 42.46 41.98 2d8k s ILE 116 CO -0.09 0.14 1.23 -2.16 0.00 0.00 0.00 174.94 174.06 2d8k s PRO 117 N 1.98 4.46 0.00 2.79 0.04 -1.26 -1.38 135.00 141.63 2d8k s PRO 117 Ca 0.00 2.06 0.29 0.00 0.04 0.00 0.00 61.00 63.39 2d8k s PRO 117 Cb -0.12 -3.12 1.31 0.00 0.04 0.00 0.00 34.50 32.61 2d8k s PRO 117 CO -0.05 -0.05 1.95 1.28 0.04 0.00 0.00 177.00 180.16 2d8k n LEU 118 N 1.10 0.00 0.12 -3.56 4.77 -1.13 -3.02 117.00 115.27 2d8k n LEU 118 Ca 0.00 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 2d8k n LEU 118 Cb 0.43 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 2d8k n LEU 118 CO 0.57 -0.01 0.20 -1.13 -1.33 0.00 0.00 177.39 175.69 2d8k h ASN 119 N 0.00 0.00 0.17 -1.43 -1.24 -1.73 -3.35 115.58 107.99 2d8k h ASN 119 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 2d8k h ASN 119 Cb 0.40 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.45 2d8k h ASN 119 CO 0.00 0.25 -1.67 0.11 -1.29 0.00 0.00 177.43 174.84 2d8k h LYS 120 N 0.00 0.36 -6.71 6.67 1.79 -1.87 -3.46 116.57 113.35 2d8k h LYS 120 Ca -0.04 -0.61 -0.51 0.00 -2.18 0.00 0.00 60.65 57.31 2d8k h LYS 120 Cb 1.23 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 32.12 2d8k h LYS 120 CO 0.03 1.29 0.49 0.54 -1.08 0.00 0.00 179.45 180.71 2d8k s VAL 121 N -2.55 3.69 -1.04 0.50 0.11 -1.21 -4.91 120.40 114.99 2d8k s VAL 121 Ca -0.17 1.53 -0.23 0.00 -2.93 0.00 0.00 61.98 60.17 2d8k s VAL 121 Cb 0.05 -3.98 -0.13 0.00 -1.53 0.00 0.00 36.38 30.79 2d8k s VAL 121 CO 0.83 0.30 1.94 0.47 -3.33 0.00 0.00 175.10 175.30 2d8k n ASP 122 N 1.98 2.67 0.29 3.54 9.92 -1.26 -4.70 116.55 129.00 2d8k n ASP 122 Ca 0.02 -2.66 0.14 0.00 -0.53 0.00 0.00 54.79 51.75 2d8k n ASP 122 Cb 0.45 -1.56 0.74 0.00 -0.64 0.00 0.00 41.12 40.12 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 17.53 0.00 -1.07 0.64 3.38 -1.90 -2.61 115.31 131.28 2d8k h LEU 123 Ca 0.24 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.52 2d8k h LEU 123 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2d8k h LEU 123 CO 1.39 0.00 1.19 0.35 0.09 0.00 0.00 178.44 181.45 2d8k n THR 124 N -2.70 0.00 -3.59 0.22 -2.24 -1.26 -2.57 114.28 102.14 2d8k n THR 124 Ca -0.02 1.22 -0.10 0.00 -2.27 0.00 0.00 64.05 62.88 2d8k n THR 124 Cb 0.33 -2.17 -0.02 0.00 -2.10 0.00 0.00 70.33 66.37 2d8k n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8k s GLN 125 N -4.36 1.43 0.28 -0.78 -2.07 -0.99 -4.90 119.66 108.27 2d8k s GLN 125 Ca -0.03 -0.65 -0.30 0.00 -1.82 0.00 0.00 55.36 52.56 2d8k s GLN 125 Cb 0.14 0.58 -0.12 0.00 -1.09 0.00 0.00 33.01 32.53 2d8k s GLN 125 CO 0.48 -0.64 1.63 1.41 -1.32 0.00 0.00 175.29 176.85 2d8k s MET 126 N -3.75 4.12 -0.05 9.60 -2.45 -1.25 -4.38 119.30 121.12 2d8k s MET 126 Ca 0.05 2.60 -0.03 0.00 -1.25 0.00 0.00 55.69 57.06 2d8k s MET 126 Cb -0.03 -3.03 0.03 0.00 1.25 0.00 0.00 34.83 33.05 2d8k s MET 126 CO -0.05 -0.67 0.12 -0.65 1.05 0.00 0.00 175.02 174.82 2d8k s GLN 127 N -0.16 0.08 0.37 4.11 -1.52 0.18 -4.89 119.66 117.83 2d8k s GLN 127 Ca 0.66 0.28 -0.06 0.00 -1.95 0.00 0.00 55.36 54.29 2d8k s GLN 127 Cb -0.48 -0.12 -0.05 0.00 -0.22 0.00 0.00 33.01 32.14 2d8k s GLN 127 CO 0.45 -0.12 0.66 0.99 -0.25 0.00 0.00 175.29 177.02 2d8k s THR 128 N 0.82 4.94 -0.03 -0.19 2.01 -1.26 -0.25 115.64 121.67 2d8k s THR 128 Ca -0.06 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 2d8k s THR 128 Cb -0.08 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2d8k s THR 128 CO -0.04 -0.50 0.08 -0.36 -0.69 0.00 0.00 174.62 173.11 2d8k s PHE 129 N -2.32 -0.09 -0.32 4.92 0.40 -0.29 -4.96 117.98 115.32 2d8k s PHE 129 Ca 0.46 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.05 2d8k s PHE 129 Cb -0.10 0.01 0.09 0.00 0.51 0.00 0.00 43.02 43.53 2d8k s PHE 129 CO 0.34 -0.05 0.02 -1.58 0.70 0.00 0.00 175.22 174.65 2d8k s TRP 130 N 0.14 3.52 0.14 0.36 0.52 -1.26 -2.91 118.94 119.45 2d8k s TRP 130 Ca -0.01 -2.77 0.08 0.00 0.02 0.00 0.00 56.10 53.41 2d8k s TRP 130 Cb -0.02 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 2d8k s TRP 130 CO -0.00 -0.93 -0.17 0.15 0.02 0.00 0.00 176.95 176.02 2d8k s LYS 131 N 0.99 1.16 -0.32 4.98 -0.14 -1.23 -5.00 119.74 120.18 2d8k s LYS 131 Ca 0.07 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.16 2d8k s LYS 131 Cb -0.19 -1.20 -0.00 0.00 -1.68 0.00 0.00 37.83 34.76 2d8k s LYS 131 CO -0.08 0.25 0.70 0.34 -0.76 0.00 0.00 175.35 175.80 2d8k s ASP 132 N -2.43 6.55 -0.66 2.83 -1.08 -1.26 -1.53 116.67 119.09 2d8k s ASP 132 Ca 0.11 0.47 -0.36 0.00 -0.52 0.00 0.00 52.55 52.25 2d8k s ASP 132 Cb -0.06 -2.36 -0.18 0.00 -1.46 0.00 0.00 42.92 38.86 2d8k s ASP 132 CO 0.05 -0.56 2.38 0.18 0.52 0.00 0.00 175.17 177.74 2d8k n LEU 133 N 6.06 0.97 -4.71 -1.34 4.77 -0.21 -4.86 117.00 117.69 2d8k n LEU 133 Ca 0.01 0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 56.00 2d8k n LEU 133 Cb 0.48 -1.03 0.12 0.00 -2.33 0.00 0.00 43.42 40.66 2d8k n LEU 133 CO 0.48 -0.81 0.76 -0.54 -1.33 0.00 0.00 177.39 175.95 2d8k s LYS 134 N 7.35 1.73 -0.40 3.23 -0.14 -0.62 -4.55 119.74 126.34 2d8k s LYS 134 Ca 1.22 1.68 -0.28 0.00 -1.36 0.00 0.00 55.97 57.23 2d8k s LYS 134 Cb -1.18 -1.79 -0.01 0.00 -1.68 0.00 0.00 37.83 33.17 2d8k s LYS 134 CO 0.53 -2.13 1.73 -1.25 -0.76 0.00 0.00 175.35 173.47 2d8k s PRO 135 N -4.20 3.25 -0.17 -1.68 0.04 -1.26 -2.24 135.00 128.75 2d8k s PRO 135 Ca 0.72 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 2d8k s PRO 135 Cb -0.27 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 2d8k s PRO 135 CO 0.50 -1.96 0.13 0.45 0.04 0.00 0.00 177.00 176.17 2d8k s SER 136 N 6.01 6.28 0.05 6.66 0.15 -1.25 -4.96 113.70 126.64 2d8k s SER 136 Ca 0.74 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 57.70 2d8k s SER 136 Cb -0.19 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2d8k s SER 136 CO 0.31 0.27 -0.02 -0.83 1.20 0.00 0.00 173.24 174.18 2d8k s GLY 137 N -0.21 0.45 0.00 9.45 0.00 -1.26 -4.72 107.32 111.04 2d8k s GLY 137 Ca 0.11 -1.18 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 2d8k s GLY 137 CO 0.00 -1.29 1.44 2.56 0.00 0.00 0.00 173.10 175.82 2d8k s PRO 138 N -3.91 4.27 0.15 2.90 0.04 -1.26 -4.98 135.00 132.21 2d8k s PRO 138 Ca 0.07 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2d8k s PRO 138 Cb 0.08 -3.59 0.07 0.00 0.04 0.00 0.00 34.50 31.09 2d8k s PRO 138 CO -0.10 -0.61 1.00 -1.12 0.04 0.00 0.00 177.00 176.21 2d8k s SER 139 N 2.00 -0.13 0.31 6.66 0.01 -1.26 -5.02 113.70 116.27 2d8k s SER 139 Ca 0.65 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.54 2d8k s SER 139 Cb -0.32 0.47 0.89 0.00 0.21 0.00 0.00 66.02 67.27 2d8k s SER 139 CO 0.27 -0.88 1.63 -1.28 0.41 0.00 0.00 173.24 173.38 2d8k h SER 140 N 2.00 0.06 0.00 2.44 0.87 -2.10 -3.57 113.55 113.26 2d8k h SER 140 Ca -0.25 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2d8k h SER 140 Cb 1.23 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2d8k h SER 140 CO 0.28 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 176.95