#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n8k s ILE 4 N 0.00 3.76 -0.11 1.96 1.01 -1.26 -2.27 121.20 124.28 3n8k s ILE 4 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3n8k s ILE 4 Cb 0.00 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3n8k s ILE 4 CO 0.00 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 3n8k s VAL 5 N 0.09 2.68 -0.20 2.92 1.01 0.91 -4.09 120.40 123.72 3n8k s VAL 5 Ca -0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3n8k s VAL 5 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3n8k s VAL 5 CO 0.03 0.54 0.10 0.20 0.00 0.00 0.00 175.10 175.97 3n8k s ASN 6 N 0.22 5.84 -0.21 3.32 0.01 -0.64 -2.28 114.94 121.20 3n8k s ASN 6 Ca -0.11 0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 52.13 3n8k s ASN 6 Cb -0.16 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.49 3n8k s ASN 6 CO 0.06 0.14 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.99 3n8k s VAL 7 N 0.59 2.82 -0.15 1.60 1.01 -0.06 -0.80 120.40 125.42 3n8k s VAL 7 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3n8k s VAL 7 Cb -0.12 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3n8k s VAL 7 CO 0.01 0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 174.75 3n8k s ILE 8 N 1.39 1.80 -0.12 2.22 1.01 0.21 -1.21 121.20 126.51 3n8k s ILE 8 Ca 0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3n8k s ILE 8 Cb -0.14 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3n8k s ILE 8 CO -0.07 0.50 -0.04 0.20 0.00 0.00 0.00 174.94 175.53 3n8k s ASN 9 N 1.17 4.81 0.00 3.58 0.02 0.12 -1.57 114.94 123.07 3n8k s ASN 9 Ca -0.00 -0.06 0.00 0.00 -1.02 0.00 0.00 52.86 51.78 3n8k s ASN 9 Cb -0.14 -1.57 0.00 0.00 0.02 0.00 0.00 41.25 39.56 3n8k s ASN 9 CO -0.07 0.25 0.00 0.61 0.02 0.00 0.00 177.10 177.91 3n8k n GLY 10 N 2.97 -0.07 3.73 0.66 0.00 0.23 -1.96 105.19 110.74 3n8k n GLY 10 Ca -0.18 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 3n8k n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n8k s PRO 11 N 0.72 2.62 0.00 1.61 0.02 -1.08 -3.24 135.00 135.65 3n8k s PRO 11 Ca 0.00 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3n8k s PRO 11 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.63 3n8k s PRO 11 CO 0.00 -1.56 0.00 0.09 -0.33 0.00 0.00 177.00 175.20 3n8k n ASN 12 N -1.80 0.00 0.24 2.53 5.03 -1.26 -4.46 115.26 115.54 3n8k n ASN 12 Ca 0.15 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.73 3n8k n ASN 12 Cb 0.48 -0.87 0.51 0.00 -1.02 0.00 0.00 39.78 38.87 3n8k n ASN 12 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3n8k h LEU 13 N 0.00 0.00 -0.12 3.41 -0.00 -1.92 -2.23 115.31 114.45 3n8k h LEU 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3n8k h LEU 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3n8k h LEU 13 CO 0.00 0.11 0.00 0.61 -0.00 0.00 0.00 178.44 179.16 3n8k n GLY 14 N 0.24 -0.86 0.73 0.83 0.00 -1.26 -3.44 105.19 101.43 3n8k n GLY 14 Ca 0.01 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.97 3n8k n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n8k n ARG 15 N -0.63 2.36 -2.37 1.61 5.12 -0.84 -4.87 116.66 117.04 3n8k n ARG 15 Ca 0.12 -2.84 -0.41 0.00 -1.93 0.00 0.00 57.85 52.79 3n8k n ARG 15 Cb 0.08 -1.76 -0.04 0.00 -1.16 0.00 0.00 32.46 29.59 3n8k n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3n8k s LEU 16 N -2.91 4.50 0.00 0.55 1.43 -1.22 -4.12 118.68 116.90 3n8k s LEU 16 Ca 0.40 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3n8k s LEU 16 Cb 0.34 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3n8k s LEU 16 CO 0.06 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.95 3n8k n GLY 17 N 1.41 2.19 2.44 -3.19 0.00 -1.17 -3.99 105.19 102.88 3n8k n GLY 17 Ca 0.01 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 3n8k n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n8k n ARG 18 N 0.00 2.64 -0.08 1.61 1.85 -1.26 -4.78 116.66 116.64 3n8k n ARG 18 Ca 0.00 -2.35 -0.15 0.00 -1.00 0.00 0.00 57.85 54.35 3n8k n ARG 18 Cb 0.00 -2.20 -0.14 0.00 -1.05 0.00 0.00 32.46 29.08 3n8k n ARG 18 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3n8k n GLY 26 N 1.16 -0.68 3.73 2.89 0.00 -1.26 -5.05 105.19 105.97 3n8k n GLY 26 Ca 0.50 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3n8k n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n8k s THR 27 N -2.53 4.02 0.72 2.61 2.01 -1.26 -5.05 115.64 116.16 3n8k s THR 27 Ca -0.20 1.62 -0.09 0.00 0.31 0.00 0.00 61.69 63.33 3n8k s THR 27 Cb 0.07 -4.04 0.05 0.00 0.01 0.00 0.00 72.50 68.60 3n8k s THR 27 CO 0.74 0.22 1.06 0.42 -0.69 0.00 0.00 174.62 176.37 3n8k s THR 28 N 0.24 2.57 0.25 -0.82 -4.23 -1.26 -3.03 115.64 109.36 3n8k s THR 28 Ca 0.52 -0.03 0.13 0.00 -1.18 0.00 0.00 61.69 61.13 3n8k s THR 28 Cb -0.28 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.44 3n8k s THR 28 CO 0.33 -0.16 1.66 -0.74 -0.54 0.00 0.00 174.62 175.16 3n8k h HIS 29 N -0.69 0.00 -0.07 3.99 6.17 -1.84 -3.13 115.15 119.58 3n8k h HIS 29 Ca -0.45 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 60.56 3n8k h HIS 29 Cb 1.30 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.22 3n8k h HIS 29 CO 0.37 0.54 -0.29 -0.44 0.71 0.00 0.00 177.93 178.82 3n8k h ASP 30 N 0.00 0.13 0.11 3.26 5.19 -1.94 -2.76 116.42 120.41 3n8k h ASP 30 Ca -0.01 -0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.18 3n8k h ASP 30 Cb 1.01 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 3n8k h ASP 30 CO 0.07 0.42 -0.71 -0.33 -3.12 0.00 0.00 179.24 175.57 3n8k h GLU 31 N 0.12 0.54 -0.79 3.56 5.08 -1.94 -3.26 114.58 117.87 3n8k h GLU 31 Ca 0.02 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 3n8k h GLU 31 Cb 0.58 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3n8k h GLU 31 CO 0.04 1.05 0.38 1.25 -1.00 0.00 0.00 179.01 180.73 3n8k h LEU 32 N 0.37 1.04 -0.63 1.33 5.85 -1.49 -1.20 115.31 120.58 3n8k h LEU 32 Ca -0.03 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3n8k h LEU 32 Cb 1.30 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3n8k h LEU 32 CO 0.13 0.89 0.37 0.58 -0.34 0.00 0.00 178.44 180.06 3n8k h VAL 33 N 1.12 1.19 -0.11 1.05 2.07 -1.59 -1.46 116.25 118.52 3n8k h VAL 33 Ca 0.27 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3n8k h VAL 33 Cb 0.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3n8k h VAL 33 CO -0.03 0.20 -0.46 0.00 0.02 0.00 0.00 177.57 177.30 3n8k h ALA 34 N 1.18 1.02 -0.19 1.67 0.00 -1.54 -2.73 119.26 118.67 3n8k h ALA 34 Ca 0.22 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 3n8k h ALA 34 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3n8k h ALA 34 CO -0.04 0.63 -0.63 -0.07 0.00 0.00 0.00 179.25 179.13 3n8k h LEU 35 N 0.22 0.79 -0.17 0.00 3.38 -0.90 -2.64 115.31 115.99 3n8k h LEU 35 Ca 0.01 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3n8k h LEU 35 Cb 0.89 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3n8k h LEU 35 CO 0.07 1.23 -0.18 0.40 0.09 0.00 0.00 178.44 180.05 3n8k h ILE 36 N 0.51 1.34 0.00 1.22 2.04 -1.26 -2.41 117.51 118.95 3n8k h ILE 36 Ca -0.01 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.44 3n8k h ILE 36 Cb 1.23 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3n8k h ILE 36 CO 0.13 0.40 -0.27 -0.33 0.00 0.00 0.00 178.15 178.08 3n8k h GLU 37 N 0.08 0.00 0.05 2.37 5.08 -1.56 -0.85 114.58 119.74 3n8k h GLU 37 Ca 0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.13 3n8k h GLU 37 Cb 0.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.99 3n8k h GLU 37 CO 0.04 0.27 -1.08 -0.09 -1.00 0.00 0.00 179.01 177.15 3n8k h ARG 38 N 0.00 0.53 -0.04 2.33 1.12 -1.45 -3.01 114.38 113.86 3n8k h ARG 38 Ca -0.00 -0.63 -0.16 0.00 -1.11 0.00 0.00 59.98 58.08 3n8k h ARG 38 Cb 0.61 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.75 3n8k h ARG 38 CO 0.03 1.25 -0.70 1.49 -3.11 0.00 0.00 179.97 178.93 3n8k h GLU 39 N 0.27 0.21 -0.32 0.20 4.57 -1.21 -3.22 114.58 115.08 3n8k h GLU 39 Ca -0.13 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 3n8k h GLU 39 Cb 1.74 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.35 3n8k h GLU 39 CO 0.20 0.82 -0.22 0.00 -1.18 0.00 0.00 179.01 178.63 3n8k h ALA 40 N 1.13 1.01 0.00 2.92 0.00 -1.21 -2.78 119.26 120.33 3n8k h ALA 40 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3n8k h ALA 40 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3n8k h ALA 40 CO 0.11 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.80 3n8k h ALA 41 N 1.21 1.09 0.01 0.00 0.00 -1.53 0.18 119.26 120.22 3n8k h ALA 41 Ca 0.08 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3n8k h ALA 41 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3n8k h ALA 41 CO 0.05 0.18 -0.91 0.93 0.00 0.00 0.00 179.25 179.50 3n8k h GLU 42 N 0.00 0.14 0.00 0.00 5.08 -1.52 -3.32 114.58 114.96 3n8k h GLU 42 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3n8k h GLU 42 Cb 0.56 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3n8k h GLU 42 CO 0.02 0.95 -1.14 1.28 -1.00 0.00 0.00 179.01 179.13 3n8k n LEU 43 N -3.59 0.59 -0.28 1.33 4.77 -1.06 -4.98 117.00 113.77 3n8k n LEU 43 Ca -0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3n8k n LEU 43 Cb 0.84 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3n8k n LEU 43 CO 0.48 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3n8k n GLY 44 N 1.36 0.91 3.29 -0.72 0.00 -0.59 -5.00 105.19 104.44 3n8k n GLY 44 Ca 0.01 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 3n8k n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n8k s LEU 45 N -0.56 2.43 -0.30 0.99 1.43 0.54 -4.63 118.68 118.58 3n8k s LEU 45 Ca 0.00 -0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 52.18 3n8k s LEU 45 Cb 0.00 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.57 3n8k s LEU 45 CO 0.00 -0.11 0.08 -0.75 0.23 0.00 0.00 176.35 175.80 3n8k s LYS 46 N -2.83 2.96 -0.05 1.70 2.36 -0.96 -3.93 119.74 118.99 3n8k s LYS 46 Ca 0.13 -0.94 0.04 0.00 -2.55 0.00 0.00 55.97 52.65 3n8k s LYS 46 Cb -0.05 -3.37 -0.02 0.00 -1.05 0.00 0.00 37.83 33.34 3n8k s LYS 46 CO 0.05 -0.49 -0.16 0.00 1.55 0.00 0.00 175.35 176.29 3n8k s ALA 47 N 1.47 2.58 -0.08 3.13 0.00 -1.26 -0.06 121.76 127.54 3n8k s ALA 47 Ca 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3n8k s ALA 47 Cb -0.18 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3n8k s ALA 47 CO 0.02 0.54 -0.14 0.14 0.00 0.00 0.00 175.76 176.32 3n8k s VAL 48 N -0.66 1.29 -0.21 0.00 -7.23 -0.96 -4.80 120.40 107.82 3n8k s VAL 48 Ca 0.10 -0.55 -0.07 0.00 -1.81 0.00 0.00 61.98 59.65 3n8k s VAL 48 Cb -0.11 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 3n8k s VAL 48 CO 0.01 0.39 0.05 -0.69 -0.31 0.00 0.00 175.10 174.55 3n8k s VAL 49 N 0.74 4.37 -0.06 1.32 1.01 -1.26 -0.88 120.40 125.64 3n8k s VAL 49 Ca -0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3n8k s VAL 49 Cb -0.16 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3n8k s VAL 49 CO 0.03 0.40 -0.02 -0.13 0.00 0.00 0.00 175.10 175.38 3n8k s ARG 50 N 1.05 0.72 -0.05 2.72 0.52 -0.35 -5.02 118.95 118.54 3n8k s ARG 50 Ca 0.03 0.01 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 3n8k s ARG 50 Cb -0.14 -0.94 -0.02 0.00 0.52 0.00 0.00 34.95 34.36 3n8k s ARG 50 CO 0.03 -0.22 -0.16 -1.14 0.02 0.00 0.00 175.30 173.83 3n8k s GLN 51 N 1.56 2.51 -0.13 3.54 -0.44 -1.26 -0.70 119.66 124.74 3n8k s GLN 51 Ca -0.01 -0.74 -0.16 0.00 -2.50 0.00 0.00 55.36 51.95 3n8k s GLN 51 Cb -0.13 -2.34 0.04 0.00 -1.64 0.00 0.00 33.01 28.94 3n8k s GLN 51 CO -0.03 0.58 0.43 0.45 0.50 0.00 0.00 175.29 177.21 3n8k s SER 52 N -0.62 -0.42 0.00 6.67 0.15 -0.83 -4.99 113.70 113.67 3n8k s SER 52 Ca 0.09 0.73 0.27 0.00 0.70 0.00 0.00 55.95 57.74 3n8k s SER 52 Cb -0.11 0.77 0.82 0.00 -1.71 0.00 0.00 66.02 65.79 3n8k s SER 52 CO 0.01 -0.24 1.62 0.47 1.20 0.00 0.00 173.24 176.30 3n8k n ASP 53 N 2.43 0.51 -4.73 5.45 9.92 -1.26 -2.62 116.55 126.25 3n8k n ASP 53 Ca -0.15 -0.31 -0.37 0.00 -0.53 0.00 0.00 54.79 53.43 3n8k n ASP 53 Cb 0.57 0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 41.02 3n8k n ASP 53 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3n8k s SER 54 N -2.80 6.57 0.19 -2.24 0.15 -1.26 -4.68 113.70 109.63 3n8k s SER 54 Ca 0.18 0.67 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 3n8k s SER 54 Cb 0.19 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.38 3n8k s SER 54 CO 0.59 0.05 1.74 -0.08 1.20 0.00 0.00 173.24 176.75 3n8k h GLU 55 N 6.67 1.07 -0.90 5.44 4.81 -2.00 -2.68 114.58 126.99 3n8k h GLU 55 Ca -0.41 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 3n8k h GLU 55 Cb 1.17 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 3n8k h GLU 55 CO 0.75 0.90 0.56 0.00 -0.73 0.00 0.00 179.01 180.50 3n8k h ALA 56 N 1.12 1.14 -0.49 2.92 0.00 -1.99 -1.38 119.26 120.57 3n8k h ALA 56 Ca 0.23 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3n8k h ALA 56 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3n8k h ALA 56 CO -0.01 0.57 -0.20 0.37 0.00 0.00 0.00 179.25 179.98 3n8k h GLN 57 N 1.22 1.00 -0.75 0.00 5.75 -1.96 -2.25 115.11 118.12 3n8k h GLN 57 Ca 0.32 -0.42 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3n8k h GLN 57 Cb -0.09 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3n8k h GLN 57 CO -0.06 1.10 0.37 -0.07 -2.65 0.00 0.00 178.83 177.51 3n8k h LEU 58 N 0.86 0.98 -0.50 -2.39 3.38 -1.18 -2.74 115.31 113.73 3n8k h LEU 58 Ca 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3n8k h LEU 58 Cb 0.78 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3n8k h LEU 58 CO 0.06 0.84 0.30 -0.07 0.09 0.00 0.00 178.44 179.66 3n8k h LEU 59 N 1.06 0.61 -1.42 1.67 3.38 -1.11 -2.90 115.31 116.60 3n8k h LEU 59 Ca 0.26 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3n8k h LEU 59 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3n8k h LEU 59 CO -0.03 0.49 0.10 -0.78 0.09 0.00 0.00 178.44 178.31 3n8k h ASP 60 N 0.67 0.44 -0.21 -0.43 3.58 -1.22 -2.80 116.42 116.45 3n8k h ASP 60 Ca 0.18 -0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 3n8k h ASP 60 Cb -0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3n8k h ASP 60 CO -0.03 0.44 -0.33 -0.50 -2.88 0.00 0.00 179.24 175.93 3n8k h TRP 61 N 0.48 0.84 0.00 0.28 6.55 -1.28 -2.88 115.95 119.94 3n8k h TRP 61 Ca 0.12 -0.22 -0.08 0.00 0.95 0.00 0.00 58.89 59.65 3n8k h TRP 61 Cb 0.16 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 3n8k h TRP 61 CO 0.01 0.95 -0.38 -0.84 -1.05 0.00 0.00 178.44 177.13 3n8k h ILE 62 N 0.60 0.69 -0.57 1.49 -2.65 -1.52 -2.84 117.51 112.72 3n8k h ILE 62 Ca 0.06 -1.81 -0.00 0.00 1.03 0.00 0.00 64.86 64.14 3n8k h ILE 62 Cb 0.85 2.21 -0.03 0.00 -2.05 0.00 0.00 36.82 37.81 3n8k h ILE 62 CO 0.07 0.37 0.35 0.45 0.03 0.00 0.00 178.15 179.42 3n8k h HIS 63 N 0.00 0.76 -0.30 0.16 3.86 -1.33 0.48 115.15 118.77 3n8k h HIS 63 Ca -0.00 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 3n8k h HIS 63 Cb 1.18 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 3n8k h HIS 63 CO 0.00 0.52 -0.35 1.96 0.86 0.00 0.00 177.93 180.92 3n8k h GLN 64 N 0.77 0.67 0.00 2.45 4.20 -1.55 -2.58 115.11 119.09 3n8k h GLN 64 Ca 0.21 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3n8k h GLN 64 Cb -0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3n8k h GLN 64 CO -0.04 0.92 -0.28 0.00 -0.67 0.00 0.00 178.83 178.77 3n8k h ALA 65 N 1.05 1.46 -0.04 3.87 0.00 -1.22 -1.56 119.26 122.83 3n8k h ALA 65 Ca 0.06 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 3n8k h ALA 65 Cb 0.86 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.62 3n8k h ALA 65 CO 0.07 0.35 -0.75 0.00 0.00 0.00 0.00 179.25 178.92 3n8k h ALA 66 N 1.72 0.15 -0.13 0.00 0.00 -0.75 0.18 119.26 120.43 3n8k h ALA 66 Ca -0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3n8k h ALA 66 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n8k h ALA 66 CO 0.04 0.51 -0.29 -0.44 0.00 0.00 0.00 179.25 179.06 3n8k h ASP 67 N 0.20 0.24 0.04 0.00 3.32 -1.26 -2.81 116.42 116.14 3n8k h ASP 67 Ca -0.08 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3n8k h ASP 67 Cb 1.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3n8k h ASP 67 CO 0.15 0.54 -0.19 0.00 -1.72 0.00 0.00 179.24 178.02 3n8k n ALA 68 N -2.48 2.93 -3.67 3.45 0.00 -0.60 -4.99 120.51 115.15 3n8k n ALA 68 Ca -0.01 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.66 3n8k n ALA 68 Cb 0.39 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.92 3n8k n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n8k n ALA 69 N 0.25 -1.99 -2.63 0.00 0.00 -0.57 -5.00 120.51 110.57 3n8k n ALA 69 Ca 0.13 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3n8k n ALA 69 Cb 0.45 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.68 3n8k n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3n8k s GLU 70 N -5.91 2.86 0.72 0.00 2.02 0.52 -4.56 118.70 114.35 3n8k s GLU 70 Ca 0.03 -0.50 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 3n8k s GLU 70 Cb -0.01 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.58 3n8k s GLU 70 CO 0.80 0.67 1.22 -2.14 0.02 0.00 0.00 175.26 175.83 3n8k s PRO 71 N -0.80 2.19 -0.05 0.39 0.02 -1.26 -4.69 135.00 130.81 3n8k s PRO 71 Ca 0.12 1.81 0.02 0.00 0.02 0.00 0.00 61.00 62.97 3n8k s PRO 71 Cb -0.11 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.59 3n8k s PRO 71 CO 0.02 -1.81 -0.07 0.08 -0.33 0.00 0.00 177.00 174.89 3n8k s VAL 72 N -1.89 0.73 -0.28 3.83 1.01 -1.02 -1.62 120.40 121.15 3n8k s VAL 72 Ca 0.76 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 3n8k s VAL 72 Cb -0.30 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3n8k s VAL 72 CO 0.44 0.26 0.11 -0.63 0.00 0.00 0.00 175.10 175.28 3n8k s ILE 73 N 0.70 4.44 -0.14 2.22 1.09 0.02 -1.07 121.20 128.46 3n8k s ILE 73 Ca -0.11 -0.32 0.01 0.00 -1.10 0.00 0.00 60.65 59.13 3n8k s ILE 73 Cb -0.14 -3.18 0.02 0.00 -1.06 0.00 0.00 42.46 38.10 3n8k s ILE 73 CO 0.01 0.19 -0.17 -0.22 -0.10 0.00 0.00 174.94 174.65 3n8k s LEU 74 N 1.61 1.83 -0.45 2.97 2.96 -0.12 -0.62 118.68 126.86 3n8k s LEU 74 Ca 0.05 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3n8k s LEU 74 Cb -0.16 -1.23 0.12 0.00 0.50 0.00 0.00 46.19 45.41 3n8k s LEU 74 CO 0.05 0.00 0.21 0.21 -1.32 0.00 0.00 176.35 175.50 3n8k s ASN 75 N 1.14 4.82 0.00 3.68 3.84 -0.61 -1.75 114.94 126.06 3n8k s ASN 75 Ca -0.02 -2.49 0.22 0.00 0.21 0.00 0.00 52.86 50.78 3n8k s ASN 75 Cb -0.14 -1.71 0.95 0.00 -0.55 0.00 0.00 41.25 39.80 3n8k s ASN 75 CO -0.06 -0.37 1.71 0.00 -2.79 0.00 0.00 177.10 175.59 3n8k n ALA 76 N 3.87 2.02 -0.64 1.71 0.00 -1.26 0.74 120.51 126.94 3n8k n ALA 76 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3n8k n ALA 76 Cb 0.38 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3n8k n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n8k n GLY 77 N 0.78 2.86 0.23 0.00 0.00 -1.26 -2.75 105.19 105.05 3n8k n GLY 77 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.93 3n8k n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n8k h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.94 -2.92 103.07 100.19 3n8k h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n8k h GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3n8k n LEU 79 N -3.91 0.76 0.02 3.11 4.77 -1.11 -3.33 117.00 117.31 3n8k n LEU 79 Ca -0.02 0.64 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 3n8k n LEU 79 Cb 0.30 -0.48 0.47 0.00 -2.33 0.00 0.00 43.42 41.38 3n8k n LEU 79 CO 0.34 -0.43 1.15 0.74 -1.33 0.00 0.00 177.39 177.86 3n8k h THR 80 N 0.00 1.05 -0.01 -5.08 2.02 -1.66 0.46 112.91 109.68 3n8k h THR 80 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3n8k h THR 80 Cb 0.51 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3n8k h THR 80 CO 0.00 0.08 -0.44 1.41 0.37 0.00 0.00 175.52 176.94 3n8k n HIS 81 N -4.48 0.00 0.00 3.16 8.25 -1.21 -2.00 115.22 118.93 3n8k n HIS 81 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3n8k n HIS 81 Cb 0.12 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3n8k n HIS 81 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n8k n THR 82 N -0.29 0.00 -3.10 1.59 -2.24 -0.95 -4.82 114.28 104.46 3n8k n THR 82 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 3n8k n THR 82 Cb 0.43 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 3n8k n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3n8k s SER 83 N -1.82 6.28 0.16 3.42 0.15 0.11 -4.87 113.70 117.13 3n8k s SER 83 Ca 0.00 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.13 3n8k s SER 83 Cb 0.00 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.93 3n8k s SER 83 CO 0.00 -0.88 1.36 0.58 1.20 0.00 0.00 173.24 175.50 3n8k h VAL 84 N 5.89 1.60 -0.52 4.45 2.07 -1.96 -3.24 116.25 124.54 3n8k h VAL 84 Ca -0.26 -2.96 0.03 0.00 0.82 0.00 0.00 66.70 64.33 3n8k h VAL 84 Cb 1.09 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 3n8k h VAL 84 CO 0.94 0.85 0.30 0.00 0.02 0.00 0.00 177.57 179.68 3n8k h ALA 85 N 1.04 0.67 0.00 1.67 0.00 -1.98 -1.50 119.26 119.15 3n8k h ALA 85 Ca -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3n8k h ALA 85 Cb 1.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3n8k h ALA 85 CO 0.13 -0.01 -0.32 1.25 0.00 0.00 0.00 179.25 180.30 3n8k h LEU 86 N 0.58 0.00 -0.27 0.00 5.85 -1.95 -2.89 115.31 116.62 3n8k h LEU 86 Ca 0.22 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 3n8k h LEU 86 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3n8k h LEU 86 CO -0.11 0.32 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.10 3n8k h ARG 87 N 0.00 0.56 -0.13 1.25 2.43 -1.39 -2.85 114.38 114.26 3n8k h ARG 87 Ca -0.00 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 3n8k h ARG 87 Cb 0.63 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3n8k h ARG 87 CO 0.04 0.79 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.74 3n8k h ASP 88 N 0.30 0.19 0.10 -3.80 3.32 -1.11 -2.74 116.42 112.68 3n8k h ASP 88 Ca 0.06 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.87 3n8k h ASP 88 Cb 0.62 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3n8k h ASP 88 CO 0.04 0.33 -0.80 0.00 -1.72 0.00 0.00 179.24 177.08 3n8k h ALA 89 N 1.70 0.42 0.00 3.45 0.00 -1.51 -3.23 119.26 120.09 3n8k h ALA 89 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3n8k h ALA 89 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3n8k h ALA 89 CO 0.02 0.74 0.00 0.00 0.00 0.00 0.00 179.25 180.00 3n8k h ALA 91 N 2.03 1.05 0.00 0.00 0.00 -1.52 -2.69 119.26 118.14 3n8k h ALA 91 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3n8k h ALA 91 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3n8k h ALA 91 CO 0.00 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.29 3n8k h GLU 92 N 0.00 0.00 -6.32 0.00 5.08 -1.66 -3.45 114.58 108.22 3n8k h GLU 92 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 3n8k h GLU 92 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3n8k h GLU 92 CO 0.01 0.00 1.00 -0.51 -1.00 0.00 0.00 179.01 178.51 3n8k s LEU 93 N -5.78 4.32 -0.11 1.33 1.43 -1.02 -4.83 118.68 114.03 3n8k s LEU 93 Ca 0.03 2.23 -0.22 0.00 -1.03 0.00 0.00 54.13 55.15 3n8k s LEU 93 Cb 0.08 -3.55 -0.27 0.00 0.03 0.00 0.00 46.19 42.49 3n8k s LEU 93 CO 0.55 -0.86 0.66 0.28 0.23 0.00 0.00 176.35 177.20 3n8k h SER 94 N 8.82 0.26 -4.28 2.29 0.02 -1.88 -3.47 113.55 115.31 3n8k h SER 94 Ca -0.39 -0.87 -0.51 0.00 -0.84 0.00 0.00 61.79 59.18 3n8k h SER 94 Cb 1.18 -0.08 0.11 0.00 0.14 0.00 0.00 62.40 63.74 3n8k h SER 94 CO 0.94 1.39 0.35 0.00 -1.14 0.00 0.00 176.83 178.37 3n8k s ALA 95 N -2.38 2.49 0.62 3.77 0.00 -1.26 -4.99 121.76 120.00 3n8k s ALA 95 Ca -0.19 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 3n8k s ALA 95 Cb 0.02 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3n8k s ALA 95 CO 0.74 -1.37 1.00 -2.30 0.00 0.00 0.00 175.76 173.82 3n8k n PRO 96 N -2.96 0.88 -4.28 0.00 -0.02 -1.26 -4.78 135.00 122.57 3n8k n PRO 96 Ca 0.09 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.64 3n8k n PRO 96 Cb 0.53 -2.21 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 3n8k n PRO 96 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3n8k s LEU 97 N -2.38 1.56 -0.17 2.45 2.96 -1.26 -2.44 118.68 119.39 3n8k s LEU 97 Ca 0.77 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 3n8k s LEU 97 Cb -0.41 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.31 3n8k s LEU 97 CO 0.46 -0.03 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.66 3n8k s ILE 98 N 1.18 2.43 0.07 6.68 1.01 -0.23 0.47 121.20 132.81 3n8k s ILE 98 Ca -0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.58 3n8k s ILE 98 Cb -0.14 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.23 3n8k s ILE 98 CO -0.03 0.52 0.61 -1.83 0.00 0.00 0.00 174.94 174.20 3n8k s GLU 99 N 1.12 4.29 -0.02 2.79 4.04 0.06 -0.94 118.70 130.04 3n8k s GLU 99 Ca 0.01 0.80 0.03 0.00 0.04 0.00 0.00 54.97 55.85 3n8k s GLU 99 Cb -0.14 -3.27 -0.00 0.00 0.02 0.00 0.00 34.13 30.74 3n8k s GLU 99 CO -0.06 0.56 -0.09 0.08 -1.84 0.00 0.00 175.26 173.90 3n8k s VAL 100 N -0.88 0.77 -0.01 1.83 1.01 -0.72 -1.00 120.40 121.40 3n8k s VAL 100 Ca 0.31 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3n8k s VAL 100 Cb -0.20 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 3n8k s VAL 100 CO 0.20 0.23 -0.10 -1.00 0.00 0.00 0.00 175.10 174.43 3n8k s HIS 101 N -0.03 0.87 -0.08 5.22 3.76 0.55 -4.27 115.29 121.31 3n8k s HIS 101 Ca 0.01 -0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.54 3n8k s HIS 101 Cb -0.06 -0.56 -0.17 0.00 1.11 0.00 0.00 32.58 32.90 3n8k s HIS 101 CO -0.00 -0.02 0.77 0.82 -0.85 0.00 0.00 174.74 175.46 3n8k h ILE 102 N 4.91 1.02 -3.91 0.60 2.04 -1.86 -2.77 117.51 117.54 3n8k h ILE 102 Ca -0.31 -1.41 -0.50 0.00 1.00 0.00 0.00 64.86 63.64 3n8k h ILE 102 Cb 1.18 1.79 0.05 0.00 -0.74 0.00 0.00 36.82 39.10 3n8k h ILE 102 CO 0.50 0.29 0.25 -0.94 0.00 0.00 0.00 178.15 178.24 3n8k s SER 103 N -5.68 6.10 -0.67 1.72 1.04 -1.26 -2.08 113.70 112.86 3n8k s SER 103 Ca -0.13 1.08 -0.26 0.00 0.48 0.00 0.00 55.95 57.11 3n8k s SER 103 Cb -0.00 -2.22 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 3n8k s SER 103 CO 0.48 -0.80 1.67 0.21 0.98 0.00 0.00 173.24 175.78 3n8k s ASN 104 N -4.18 5.57 0.33 7.02 3.84 -1.26 -2.58 114.94 123.68 3n8k s ASN 104 Ca 0.52 0.00 0.26 0.00 0.21 0.00 0.00 52.86 53.85 3n8k s ASN 104 Cb -0.11 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.02 3n8k s ASN 104 CO 0.48 -2.20 1.78 1.62 -2.79 0.00 0.00 177.10 175.99 3n8k h VAL 105 N 6.63 0.00 0.00 -5.21 3.04 -1.93 -2.74 116.25 116.04 3n8k h VAL 105 Ca -0.24 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3n8k h VAL 105 Cb 1.12 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3n8k h VAL 105 CO 1.24 0.00 -0.48 1.41 -1.01 0.00 0.00 177.57 178.73 3n8k n HIS 106 N -2.51 0.25 1.17 3.17 8.25 -1.26 -3.81 115.22 120.48 3n8k n HIS 106 Ca 0.03 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 3n8k n HIS 106 Cb 0.32 -0.47 0.25 0.00 1.12 0.00 0.00 29.99 31.21 3n8k n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3n8k n ALA 107 N -1.64 3.18 -2.26 -1.41 0.00 -1.03 -4.92 120.51 112.44 3n8k n ALA 107 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3n8k n ALA 107 Cb 0.38 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3n8k n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n8k n ARG 108 N -0.29 2.06 -1.87 0.00 1.74 -1.25 -5.08 116.66 111.97 3n8k n ARG 108 Ca 0.12 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 3n8k n ARG 108 Cb 0.40 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.88 3n8k n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3n8k s GLU 109 N 4.69 2.89 0.25 5.56 8.01 -1.26 -4.96 118.70 133.87 3n8k s GLU 109 Ca 0.00 1.50 -0.04 0.00 0.01 0.00 0.00 54.97 56.43 3n8k s GLU 109 Cb 0.00 -1.95 0.28 0.00 -4.31 0.00 0.00 34.13 28.15 3n8k s GLU 109 CO 0.00 -1.20 1.81 1.49 0.01 0.00 0.00 175.26 177.37 3n8k h GLU 110 N 0.33 1.02 0.00 1.61 4.57 -1.95 -2.79 114.58 117.36 3n8k h GLU 110 Ca -0.48 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 3n8k h GLU 110 Cb 1.26 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3n8k h GLU 110 CO 0.54 0.86 0.00 1.97 -1.18 0.00 0.00 179.01 181.20 3n8k n PHE 111 N -4.28 0.25 0.10 0.92 1.16 -1.26 -2.07 117.46 112.28 3n8k n PHE 111 Ca 0.06 0.11 0.09 0.00 -1.87 0.00 0.00 57.45 55.83 3n8k n PHE 111 Cb 0.20 -0.67 -0.00 0.00 -1.61 0.00 0.00 39.48 37.40 3n8k n PHE 111 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3n8k h ARG 112 N 0.00 0.00 0.00 3.97 3.08 -1.77 -3.34 114.38 116.31 3n8k h ARG 112 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3n8k h ARG 112 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3n8k h ARG 112 CO 0.00 0.07 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 3n8k n ARG 113 N -2.77 0.52 -4.78 0.04 1.74 -0.88 -4.65 116.66 105.87 3n8k n ARG 113 Ca -0.02 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 3n8k n ARG 113 Cb 0.61 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 3n8k n ARG 113 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3n8k s HIS 114 N -2.29 2.74 -0.06 -1.55 3.76 -1.26 -5.03 115.29 111.61 3n8k s HIS 114 Ca 0.28 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 3n8k s HIS 114 Cb 0.15 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 32.02 3n8k s HIS 114 CO 0.30 -0.36 -0.15 0.45 -0.85 0.00 0.00 174.74 174.13 3n8k s SER 115 N 0.53 1.99 0.33 1.40 0.15 -1.26 -4.45 113.70 112.38 3n8k s SER 115 Ca -0.11 -0.33 0.17 0.00 0.70 0.00 0.00 55.95 56.39 3n8k s SER 115 Cb -0.16 -0.74 0.34 0.00 -1.71 0.00 0.00 66.02 63.75 3n8k s SER 115 CO 0.04 0.09 1.57 1.88 1.20 0.00 0.00 173.24 178.03 3n8k h TYR 116 N 6.61 0.00 0.00 3.44 0.05 -1.72 -3.33 116.97 122.02 3n8k h TYR 116 Ca -0.31 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.39 3n8k h TYR 116 Cb 1.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.91 3n8k h TYR 116 CO 0.46 0.43 -1.20 -0.07 -1.05 0.00 0.00 178.16 176.73 3n8k h LEU 117 N 0.00 0.00 -0.69 3.88 3.38 -1.91 -3.39 115.31 116.58 3n8k h LEU 117 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3n8k h LEU 117 Cb 1.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3n8k h LEU 117 CO 0.06 0.30 0.42 0.28 0.09 0.00 0.00 178.44 179.59 3n8k h SER 118 N 0.00 0.68 0.82 -0.43 0.02 -1.93 -2.13 113.55 110.58 3n8k h SER 118 Ca -0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3n8k h SER 118 Cb 1.30 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3n8k h SER 118 CO 0.02 0.47 0.00 -0.65 -1.14 0.00 0.00 176.83 175.53 3n8k h PRO 119 N 0.82 0.00 0.00 3.45 0.11 -1.78 -3.11 132.00 131.48 3n8k h PRO 119 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3n8k h PRO 119 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3n8k h PRO 119 CO -0.12 0.00 -0.71 0.44 -0.21 0.00 0.00 178.00 177.40 3n8k n ILE 120 N -2.92 0.00 -2.16 4.15 -5.35 -1.09 -5.01 119.36 106.99 3n8k n ILE 120 Ca 0.00 -0.17 -0.28 0.00 -0.27 0.00 0.00 62.75 62.03 3n8k n ILE 120 Cb 0.26 0.97 0.03 0.00 -1.74 0.00 0.00 39.64 39.16 3n8k n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3n8k s ALA 121 N -2.38 3.12 -0.05 -1.28 0.00 -0.82 -4.92 121.76 115.43 3n8k s ALA 121 Ca 0.05 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.27 3n8k s ALA 121 Cb 0.11 -2.81 -0.22 0.00 0.00 0.00 0.00 23.12 20.19 3n8k s ALA 121 CO 0.59 -0.90 1.09 1.15 0.00 0.00 0.00 175.76 177.69 3n8k h THR 122 N -0.36 1.52 -3.76 0.00 2.02 -0.29 -3.48 112.91 108.55 3n8k h THR 122 Ca -0.45 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 64.97 3n8k h THR 122 Cb 1.25 2.59 -0.13 0.00 -1.74 0.00 0.00 68.15 70.11 3n8k h THR 122 CO 0.62 0.45 -0.31 -0.83 0.37 0.00 0.00 175.52 175.82 3n8k s GLY 123 N -3.66 0.14 -0.08 2.16 0.00 -1.19 -5.05 107.32 99.64 3n8k s GLY 123 Ca -0.16 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3n8k s GLY 123 CO 0.71 -0.73 -0.09 0.14 0.00 0.00 0.00 173.10 173.12 3n8k s VAL 124 N -3.88 0.98 -0.20 1.40 1.01 -1.26 -0.76 120.40 117.68 3n8k s VAL 124 Ca 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3n8k s VAL 124 Cb 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3n8k s VAL 124 CO -0.08 0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 174.61 3n8k s ILE 125 N 1.10 2.77 0.00 2.22 1.01 -0.17 -5.00 121.20 123.13 3n8k s ILE 125 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3n8k s ILE 125 Cb -0.14 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3n8k s ILE 125 CO -0.01 0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 174.60 3n8k s VAL 126 N 1.33 0.97 -0.16 2.92 1.01 -1.26 -0.33 120.40 124.87 3n8k s VAL 126 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3n8k s VAL 126 Cb -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3n8k s VAL 126 CO -0.07 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3n8k n GLY 127 N 2.60 0.51 1.55 4.51 0.00 -1.05 -4.85 105.19 108.45 3n8k n GLY 127 Ca -0.15 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3n8k n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n8k n LEU 128 N -0.18 4.73 0.00 0.99 4.77 -1.23 -4.65 117.00 121.43 3n8k n LEU 128 Ca -0.02 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 3n8k n LEU 128 Cb 0.12 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3n8k n LEU 128 CO 0.02 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3n8k n GLY 129 N 1.05 0.97 0.17 -0.72 0.00 -0.88 -3.57 105.19 102.21 3n8k n GLY 129 Ca 0.25 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.54 3n8k n GLY 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n8k h ILE 130 N 0.00 0.83 0.00 -0.61 6.09 -1.95 -3.26 117.51 118.62 3n8k h ILE 130 Ca 0.00 -1.80 0.00 0.00 -1.37 0.00 0.00 64.86 61.69 3n8k h ILE 130 Cb 0.00 2.14 0.00 0.00 0.47 0.00 0.00 36.82 39.43 3n8k h ILE 130 CO 0.00 0.41 0.00 -0.61 -3.07 0.00 0.00 178.15 174.88 3n8k h GLN 131 N 0.00 0.00 -0.87 2.19 4.15 -1.98 -3.12 115.11 115.47 3n8k h GLN 131 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.52 3n8k h GLN 131 Cb 1.11 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 3n8k h GLN 131 CO 0.05 0.00 0.56 0.78 -1.93 0.00 0.00 178.83 178.30 3n8k h GLY 132 N 1.22 1.23 0.95 2.39 0.00 -1.70 -2.38 103.07 104.77 3n8k h GLY 132 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3n8k h GLY 132 CO 0.00 0.18 0.17 -0.97 0.00 0.00 0.00 176.54 175.92 3n8k h TYR 133 N 0.82 0.62 -0.32 5.60 -1.99 -1.83 -3.06 116.97 116.81 3n8k h TYR 133 Ca 0.41 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 61.02 3n8k h TYR 133 Cb 0.47 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 3n8k h TYR 133 CO -0.00 0.54 -0.12 -0.07 -0.00 0.00 0.00 178.16 178.50 3n8k h LEU 134 N 0.52 0.53 -0.90 3.88 3.38 -1.65 -2.72 115.31 118.35 3n8k h LEU 134 Ca 0.14 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3n8k h LEU 134 Cb 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3n8k h LEU 134 CO -0.01 0.68 -0.47 -0.07 0.09 0.00 0.00 178.44 178.66 3n8k h LEU 135 N 0.50 0.19 -0.79 1.67 3.38 -1.49 -2.96 115.31 115.82 3n8k h LEU 135 Ca 0.09 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3n8k h LEU 135 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3n8k h LEU 135 CO 0.03 0.64 -0.32 0.00 0.09 0.00 0.00 178.44 178.88 3n8k h ALA 136 N 1.37 0.96 -0.63 1.53 0.00 -1.38 -3.07 119.26 118.04 3n8k h ALA 136 Ca 0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3n8k h ALA 136 Cb 0.89 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3n8k h ALA 136 CO 0.07 0.61 0.22 -0.07 0.00 0.00 0.00 179.25 180.07 3n8k h LEU 137 N 0.47 0.88 -1.28 0.00 3.38 -1.35 -2.94 115.31 114.46 3n8k h LEU 137 Ca 0.06 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3n8k h LEU 137 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3n8k h LEU 137 CO 0.06 0.81 -0.30 -0.09 0.09 0.00 0.00 178.44 179.02 3n8k h ARG 138 N 0.93 0.09 -0.51 1.13 2.43 -1.47 -2.66 114.38 114.32 3n8k h ARG 138 Ca 0.21 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3n8k h ARG 138 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3n8k h ARG 138 CO -0.01 0.39 -0.01 -0.92 -1.51 0.00 0.00 179.97 177.91 3n8k h TYR 139 N 0.08 0.98 0.00 2.20 3.20 -1.51 -3.19 116.97 118.73 3n8k h TYR 139 Ca 0.01 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.62 3n8k h TYR 139 Cb 0.58 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3n8k h TYR 139 CO 0.00 0.92 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.97 3n8k h LEU 140 N 0.76 0.00 -1.33 2.82 3.38 -1.47 -2.95 115.31 116.53 3n8k h LEU 140 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3n8k h LEU 140 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3n8k h LEU 140 CO 0.03 0.40 -0.13 0.00 0.09 0.00 0.00 178.44 178.84 3n8k h ALA 141 N 1.60 1.04 -0.29 1.53 0.00 -1.47 -2.57 119.26 119.09 3n8k h ALA 141 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3n8k h ALA 141 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3n8k h ALA 141 CO 0.05 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.85 3n8k n GLU 142 N -3.29 2.13 0.00 0.00 1.02 -1.17 -5.10 120.64 114.24 3n8k n GLU 142 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 3n8k n GLU 142 Cb 0.36 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3n8k n GLU 142 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03