#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jt3 s ASP 2 N 0.00 3.91 0.69 3.17 1.01 -1.26 -5.10 116.67 119.08 2jt3 s ASP 2 Ca 0.00 -0.95 -0.17 0.00 0.71 0.00 0.00 52.55 52.14 2jt3 s ASP 2 Cb 0.00 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.32 2jt3 s ASP 2 CO 0.00 -0.10 0.55 0.47 0.21 0.00 0.00 175.17 176.30 2jt3 n ASP 3 N 4.57 -1.08 0.28 0.27 8.00 -1.26 -4.61 116.55 122.72 2jt3 n ASP 3 Ca -0.17 0.63 0.13 0.00 0.71 0.00 0.00 54.79 56.09 2jt3 n ASP 3 Cb 0.47 -1.21 0.82 0.00 -0.02 0.00 0.00 41.12 41.17 2jt3 n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2jt3 h ILE 4 N -0.21 0.63 0.41 0.53 3.07 -1.97 0.30 117.51 120.28 2jt3 h ILE 4 Ca -0.46 -0.16 -0.02 0.00 1.55 0.00 0.00 64.86 65.77 2jt3 h ILE 4 Cb 1.36 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 2jt3 h ILE 4 CO 0.44 0.04 -0.20 1.88 -1.05 0.00 0.00 178.15 179.26 2jt3 h TYR 5 N 0.00 -0.51 0.00 0.16 0.05 -1.93 -2.94 116.97 111.80 2jt3 h TYR 5 Ca -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2jt3 h TYR 5 Cb 0.09 0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 2jt3 h TYR 5 CO 0.00 -0.30 -0.04 1.57 -1.05 0.00 0.00 178.16 178.34 2jt3 h LYS 6 N -1.14 0.00 -0.30 4.88 2.10 -1.88 -2.46 116.57 117.77 2jt3 h LYS 6 Ca -0.06 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.47 2jt3 h LYS 6 Cb 0.43 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2jt3 h LYS 6 CO 0.09 0.04 -0.33 0.00 -2.00 0.00 0.00 179.45 177.25 2jt3 h ALA 7 N 1.96 0.86 0.06 0.07 0.00 -0.44 -2.04 119.26 119.74 2jt3 h ALA 7 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2jt3 h ALA 7 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jt3 h ALA 7 CO 0.00 0.63 -0.56 0.00 0.00 0.00 0.00 179.25 179.33 2jt3 h ALA 8 N 1.09 0.01 -0.64 0.00 0.00 -1.30 -3.33 119.26 115.09 2jt3 h ALA 8 Ca 0.06 -0.70 0.09 0.00 0.00 0.00 0.00 54.91 54.36 2jt3 h ALA 8 Cb 0.83 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2jt3 h ALA 8 CO 0.07 0.29 0.42 0.28 0.00 0.00 0.00 179.25 180.31 2jt3 h VAL 9 N -0.71 0.92 0.00 0.00 2.07 -1.50 0.20 116.25 117.23 2jt3 h VAL 9 Ca -0.12 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jt3 h VAL 9 Cb 1.34 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2jt3 h VAL 9 CO 0.04 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 177.10 2jt3 n GLU 10 N -4.48 0.18 0.06 1.57 -0.58 -0.77 -1.68 120.64 114.94 2jt3 n GLU 10 Ca 0.10 0.53 -0.06 0.00 -0.42 0.00 0.00 57.16 57.31 2jt3 n GLU 10 Cb 0.34 -1.93 -0.11 0.00 -0.57 0.00 0.00 31.44 29.18 2jt3 n GLU 10 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2jt3 h GLN 11 N 0.00 0.00 -5.60 3.49 1.08 -0.72 -3.45 115.11 109.91 2jt3 h GLN 11 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2jt3 h GLN 11 Cb 0.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2jt3 h GLN 11 CO 0.00 0.84 1.58 1.28 -0.95 0.00 0.00 178.83 181.59 2jt3 n LEU 12 N -3.28 1.73 -4.62 1.46 7.99 -0.67 -4.90 117.00 114.71 2jt3 n LEU 12 Ca -0.03 0.03 -0.30 0.00 -0.01 0.00 0.00 56.01 55.71 2jt3 n LEU 12 Cb 0.93 -1.29 0.19 0.00 -0.11 0.00 0.00 43.42 43.14 2jt3 n LEU 12 CO 0.46 -1.02 0.62 0.42 -1.51 0.00 0.00 177.39 176.36 2jt3 s THR 13 N 9.46 2.25 0.11 -5.08 -4.23 -1.26 -4.63 115.64 112.27 2jt3 s THR 13 Ca 1.12 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 61.49 2jt3 s THR 13 Cb -0.72 -2.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 2jt3 s THR 13 CO 0.41 -0.11 1.69 -0.08 -0.54 0.00 0.00 174.62 176.00 2jt3 h GLU 14 N -2.04 -0.14 -0.72 3.99 4.81 -1.99 0.20 114.58 118.70 2jt3 h GLU 14 Ca -0.52 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2jt3 h GLU 14 Cb 1.29 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 2jt3 h GLU 14 CO 0.49 -0.09 0.47 1.05 -0.73 0.00 0.00 179.01 180.20 2jt3 h GLU 15 N -0.14 0.88 0.06 1.92 4.11 -2.00 -0.38 114.58 119.03 2jt3 h GLU 15 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jt3 h GLU 15 Cb 0.22 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jt3 h GLU 15 CO -0.13 0.58 -0.03 1.96 0.07 0.00 0.00 179.01 181.46 2jt3 h GLN 16 N 0.91 -0.07 -0.64 1.06 7.50 -1.72 -3.15 115.11 118.99 2jt3 h GLN 16 Ca 0.28 0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.47 2jt3 h GLN 16 Cb -0.01 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.50 2jt3 h GLN 16 CO -0.07 0.36 0.42 -0.22 -1.50 0.00 0.00 178.83 177.82 2jt3 h LYS 17 N -0.54 0.73 -0.95 1.46 3.11 -0.36 -1.58 116.57 118.44 2jt3 h LYS 17 Ca -0.01 -0.04 0.14 0.00 -2.81 0.00 0.00 60.65 57.93 2jt3 h LYS 17 Cb 0.47 -0.16 -0.08 0.00 -1.00 0.00 0.00 32.23 31.46 2jt3 h LYS 17 CO 0.01 0.48 0.60 -0.97 -2.81 0.00 0.00 179.45 176.77 2jt3 h ASN 18 N 0.75 0.76 0.73 4.20 -1.24 -1.03 0.20 115.58 119.96 2jt3 h ASN 18 Ca 0.26 0.05 -0.26 0.00 0.71 0.00 0.00 56.30 57.06 2jt3 h ASN 18 Cb 0.09 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2jt3 h ASN 18 CO -0.07 0.38 -1.20 -0.33 -1.29 0.00 0.00 177.43 174.92 2jt3 h GLU 19 N 0.80 0.18 -0.43 6.67 5.08 -1.32 -3.30 114.58 122.26 2jt3 h GLU 19 Ca 0.48 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2jt3 h GLU 19 Cb 0.67 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2jt3 h GLU 19 CO -0.25 1.13 -0.17 0.74 -1.00 0.00 0.00 179.01 179.47 2jt3 h PHE 20 N 0.05 0.91 0.00 4.33 -1.00 -0.53 -2.37 116.94 118.32 2jt3 h PHE 20 Ca -0.11 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.49 2jt3 h PHE 20 Cb 1.91 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 41.25 2jt3 h PHE 20 CO 0.04 0.92 0.00 0.87 -1.61 0.00 0.00 178.31 178.53 2jt3 h LYS 21 N 0.72 0.00 -0.55 1.51 1.57 -0.74 -2.82 116.57 116.25 2jt3 h LYS 21 Ca 0.11 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 2jt3 h LYS 21 Cb 0.67 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 2jt3 h LYS 21 CO 0.05 0.00 0.02 0.00 -0.57 0.00 0.00 179.45 178.95 2jt3 h ALA 22 N 2.02 0.54 -0.11 3.86 0.00 -1.54 0.33 119.26 124.37 2jt3 h ALA 22 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 2jt3 h ALA 22 Cb 0.08 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jt3 h ALA 22 CO 0.00 -0.38 -0.74 0.00 0.00 0.00 0.00 179.25 178.13 2jt3 h ALA 23 N 1.48 0.50 0.00 0.00 0.00 -1.70 -3.08 119.26 116.46 2jt3 h ALA 23 Ca 0.28 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2jt3 h ALA 23 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jt3 h ALA 23 CO -0.45 0.73 -0.21 0.35 0.00 0.00 0.00 179.25 179.68 2jt3 h PHE 24 N 0.38 0.00 0.00 0.00 3.04 -1.34 -1.50 116.94 117.52 2jt3 h PHE 24 Ca -0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2jt3 h PHE 24 Cb 1.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.85 2jt3 h PHE 24 CO 0.06 0.21 0.00 0.22 -2.02 0.00 0.00 178.31 176.78 2jt3 h ASP 25 N 0.00 0.00 0.00 0.41 3.58 -0.30 -3.15 116.42 116.95 2jt3 h ASP 25 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jt3 h ASP 25 Cb 0.41 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 2jt3 h ASP 25 CO 0.03 0.00 -0.04 0.40 -2.88 0.00 0.00 179.24 176.75 2jt3 h ILE 26 N 0.00 0.68 -0.24 2.25 2.04 -1.26 -3.31 117.51 117.68 2jt3 h ILE 26 Ca 0.00 -1.52 0.07 0.00 1.00 0.00 0.00 64.86 64.41 2jt3 h ILE 26 Cb 0.74 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2jt3 h ILE 26 CO 0.00 0.23 0.30 -0.26 0.00 0.00 0.00 178.15 178.42 2jt3 h PHE 27 N -1.00 0.00 -0.64 1.37 -1.00 -1.60 0.25 116.94 114.32 2jt3 h PHE 27 Ca -0.01 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.52 2jt3 h PHE 27 Cb 0.41 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 39.82 2jt3 h PHE 27 CO 0.10 0.00 0.32 1.33 -1.61 0.00 0.00 178.31 178.45 2jt3 n VAL 28 N -3.64 2.46 1.60 -0.55 0.24 -1.19 -4.29 118.33 112.96 2jt3 n VAL 28 Ca 0.03 -1.31 0.14 0.00 -2.04 0.00 0.00 64.34 61.17 2jt3 n VAL 28 Cb 0.43 -0.51 0.80 0.00 -1.47 0.00 0.00 33.84 33.09 2jt3 n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2jt3 n LEU 29 N -0.32 0.00 -0.71 1.34 4.77 0.89 -3.69 117.00 119.29 2jt3 n LEU 29 Ca 0.37 0.13 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 2jt3 n LEU 29 Cb 1.24 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 42.18 2jt3 n LEU 29 CO 0.38 -0.01 0.25 0.61 -1.33 0.00 0.00 177.39 177.29 2jt3 n GLY 30 N 0.96 0.78 3.96 -0.72 0.00 -1.26 -5.13 105.19 103.78 2jt3 n GLY 30 Ca 0.18 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2jt3 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jt3 s ALA 31 N 0.00 3.84 -0.07 4.61 0.00 -1.24 -5.03 121.76 123.87 2jt3 s ALA 31 Ca 0.04 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2jt3 s ALA 31 Cb 0.04 -2.02 -0.11 0.00 0.00 0.00 0.00 23.12 21.03 2jt3 s ALA 31 CO -0.02 -0.19 0.06 -0.85 0.00 0.00 0.00 175.76 174.76 2jt3 n GLU 32 N -1.89 2.23 -0.01 0.00 0.28 -1.26 -4.61 120.64 115.39 2jt3 n GLU 32 Ca -0.01 -0.02 0.10 0.00 -0.16 0.00 0.00 57.16 57.07 2jt3 n GLU 32 Cb 0.57 -1.22 -0.14 0.00 1.43 0.00 0.00 31.44 32.09 2jt3 n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jt3 n ASP 33 N -2.23 0.59 0.00 -1.84 2.03 -1.26 -4.98 116.55 108.87 2jt3 n ASP 33 Ca -0.12 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 54.74 2jt3 n ASP 33 Cb 0.68 1.51 0.00 0.00 -0.72 0.00 0.00 41.12 42.59 2jt3 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jt3 n GLY 34 N 1.40 2.13 3.74 0.27 0.00 -1.26 -5.02 105.19 106.44 2jt3 n GLY 34 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jt3 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jt3 s SER 35 N -2.26 6.97 -0.06 1.61 0.01 -1.26 -4.76 113.70 113.94 2jt3 s SER 35 Ca 0.00 2.39 -0.19 0.00 1.31 0.00 0.00 55.95 59.45 2jt3 s SER 35 Cb 0.00 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.65 2jt3 s SER 35 CO 0.00 -0.45 0.44 0.27 0.41 0.00 0.00 173.24 173.92 2jt3 s ILE 36 N -0.26 0.03 0.00 1.44 -4.36 -1.05 -4.94 121.20 112.06 2jt3 s ILE 36 Ca 0.53 -0.25 -0.01 0.00 -0.26 0.00 0.00 60.65 60.66 2jt3 s ILE 36 Cb -0.35 -0.73 0.00 0.00 1.25 0.00 0.00 42.46 42.63 2jt3 s ILE 36 CO 0.40 -0.14 0.04 -0.24 0.24 0.00 0.00 174.94 175.24 2jt3 n SER 37 N 1.48 -0.04 0.00 4.36 2.88 -1.26 -4.71 113.62 116.32 2jt3 n SER 37 Ca -0.19 -1.01 -0.09 0.00 -1.33 0.00 0.00 58.87 56.24 2jt3 n SER 37 Cb 0.56 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 2jt3 n SER 37 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2jt3 h THR 38 N 1.03 0.69 -2.07 2.46 2.02 -1.98 -3.17 112.91 111.89 2jt3 h THR 38 Ca -0.01 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.57 2jt3 h THR 38 Cb 0.04 0.69 -0.41 0.00 -1.74 0.00 0.00 68.15 66.73 2jt3 h THR 38 CO 0.01 0.00 -0.57 1.17 0.37 0.00 0.00 175.52 176.50 2jt3 n LYS 39 N -5.25 3.38 -0.09 6.66 3.00 -1.26 -4.85 118.16 119.75 2jt3 n LYS 39 Ca -0.03 -4.74 0.25 0.00 -0.00 0.00 0.00 58.31 53.79 2jt3 n LYS 39 Cb 0.17 -2.25 0.72 0.00 0.00 0.00 0.00 35.03 33.67 2jt3 n LYS 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2jt3 h GLU 40 N 2.91 0.00 0.57 1.64 4.11 -1.92 0.34 114.58 122.24 2jt3 h GLU 40 Ca 0.20 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.60 2jt3 h GLU 40 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2jt3 h GLU 40 CO 0.85 0.00 -0.27 1.25 0.07 0.00 0.00 179.01 180.91 2jt3 h LEU 41 N 0.00 -0.65 -0.26 3.06 7.12 -1.90 0.33 115.31 123.00 2jt3 h LEU 41 Ca 0.34 -0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.28 2jt3 h LEU 41 Cb 1.47 0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.76 2jt3 h LEU 41 CO -0.00 -0.39 -0.27 1.23 -0.13 0.00 0.00 178.44 178.88 2jt3 h GLY 42 N -0.88 0.00 1.22 3.75 0.00 -1.67 -2.19 103.07 103.30 2jt3 h GLY 42 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.96 2jt3 h GLY 42 CO 0.13 0.00 -1.21 1.70 0.00 0.00 0.00 176.54 177.15 2jt3 h LYS 43 N 0.00 0.65 0.00 4.80 3.64 -0.31 -3.28 116.57 122.07 2jt3 h LYS 43 Ca -0.00 -0.83 -0.07 0.00 -1.27 0.00 0.00 60.65 58.48 2jt3 h LYS 43 Cb 1.11 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 2jt3 h LYS 43 CO 0.03 1.38 -0.36 0.28 -2.27 0.00 0.00 179.45 178.52 2jt3 h VAL 44 N 0.30 0.59 -0.22 2.00 2.07 -0.39 -3.25 116.25 117.36 2jt3 h VAL 44 Ca -0.18 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 2jt3 h VAL 44 Cb 1.88 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 2jt3 h VAL 44 CO 0.23 0.34 0.13 -0.03 0.02 0.00 0.00 177.57 178.27 2jt3 h MET 45 N 0.00 0.29 -0.34 1.57 4.05 -1.45 -1.40 114.93 117.66 2jt3 h MET 45 Ca -0.00 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 2jt3 h MET 45 Cb 1.27 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 2jt3 h MET 45 CO 0.04 0.20 0.36 0.00 0.23 0.00 0.00 176.91 177.74 2jt3 h ARG 46 N 0.30 0.00 -0.40 0.39 2.47 -1.65 0.33 114.38 115.82 2jt3 h ARG 46 Ca 0.08 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 2jt3 h ARG 46 Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2jt3 h ARG 46 CO -0.02 0.00 -0.17 0.52 0.56 0.00 0.00 179.97 180.87 2jt3 h MET 47 N 0.00 0.83 0.00 0.04 2.86 -1.48 -3.11 114.93 114.07 2jt3 h MET 47 Ca 0.16 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 2jt3 h MET 47 Cb 0.87 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2jt3 h MET 47 CO -0.00 0.98 -0.82 -0.07 1.06 0.00 0.00 176.91 178.06 2jt3 h LEU 48 N 0.64 0.00 -2.17 1.22 4.07 -1.10 -3.48 115.31 114.49 2jt3 h LEU 48 Ca 0.09 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.55 2jt3 h LEU 48 Cb 0.72 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.41 2jt3 h LEU 48 CO 0.05 0.12 -0.90 0.61 -1.08 0.00 0.00 178.44 177.24 2jt3 n GLY 49 N 1.20 -0.34 3.08 0.83 0.00 0.97 -4.94 105.19 105.99 2jt3 n GLY 49 Ca -0.00 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2jt3 n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jt3 s GLN 50 N -6.57 1.95 0.07 1.61 -2.07 -1.26 -5.07 119.66 108.31 2jt3 s GLN 50 Ca 0.08 -1.61 -0.26 0.00 -1.82 0.00 0.00 55.36 51.74 2jt3 s GLN 50 Cb -0.03 -3.19 0.09 0.00 -1.09 0.00 0.00 33.01 28.79 2jt3 s GLN 50 CO 0.90 -0.81 0.79 -0.80 -1.32 0.00 0.00 175.29 174.05 2jt3 s ASN 51 N 1.18 -0.42 0.16 12.60 0.02 -1.26 -5.06 114.94 122.17 2jt3 s ASN 51 Ca 0.02 -0.04 -0.09 0.00 -1.02 0.00 0.00 52.86 51.73 2jt3 s ASN 51 Cb -0.20 0.47 0.01 0.00 0.02 0.00 0.00 41.25 41.55 2jt3 s ASN 51 CO -0.05 -0.77 1.50 1.55 0.02 0.00 0.00 177.10 179.34 2jt3 h PRO 52 N 2.00 0.85 -3.55 -0.60 0.13 -2.03 -3.45 132.00 125.35 2jt3 h PRO 52 Ca -0.26 -0.45 -0.16 0.00 -0.87 0.00 0.00 66.00 64.25 2jt3 h PRO 52 Cb 1.26 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 2jt3 h PRO 52 CO 0.33 1.09 -0.54 -0.08 -0.23 0.00 0.00 178.00 178.56 2jt3 s THR 53 N -4.34 0.06 -0.23 1.56 -1.32 -1.26 -5.03 115.64 105.08 2jt3 s THR 53 Ca -0.10 -0.50 0.28 0.00 -1.21 0.00 0.00 61.69 60.16 2jt3 s THR 53 Cb 0.11 -0.33 0.31 0.00 -1.51 0.00 0.00 72.50 71.08 2jt3 s THR 53 CO 0.87 -0.27 1.83 1.55 -2.21 0.00 0.00 174.62 176.39 2jt3 h PRO 54 N 4.87 0.00 0.05 7.08 0.13 -2.02 -2.82 132.00 139.29 2jt3 h PRO 54 Ca -0.29 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.61 2jt3 h PRO 54 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2jt3 h PRO 54 CO 0.41 0.00 -1.07 1.49 -0.23 0.00 0.00 178.00 178.60 2jt3 h GLU 55 N 0.00 0.11 -0.08 0.86 4.81 -1.98 -2.45 114.58 115.86 2jt3 h GLU 55 Ca 0.00 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2jt3 h GLU 55 Cb 0.41 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2jt3 h GLU 55 CO 0.00 1.07 -0.14 0.93 -0.73 0.00 0.00 179.01 180.13 2jt3 h GLU 56 N 0.03 -0.19 0.00 1.92 4.39 -1.92 -2.26 114.58 116.55 2jt3 h GLU 56 Ca -0.06 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2jt3 h GLU 56 Cb 1.81 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.49 2jt3 h GLU 56 CO 0.16 -0.13 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.33 2jt3 h LEU 57 N -0.20 0.00 -1.99 1.33 3.38 -1.69 -3.23 115.31 112.91 2jt3 h LEU 57 Ca 0.08 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.23 2jt3 h LEU 57 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2jt3 h LEU 57 CO -0.20 0.47 0.51 -0.61 0.09 0.00 0.00 178.44 178.71 2jt3 h GLN 58 N 0.00 0.00 0.03 1.13 4.15 -0.90 0.34 115.11 119.86 2jt3 h GLN 58 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.19 2jt3 h GLN 58 Cb 1.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 2jt3 h GLN 58 CO 0.06 0.00 -1.04 1.49 -1.93 0.00 0.00 178.83 177.42 2jt3 h GLU 59 N 0.00 0.08 -0.02 1.69 4.57 -1.54 -2.20 114.58 117.16 2jt3 h GLU 59 Ca 0.31 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2jt3 h GLU 59 Cb 1.33 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2jt3 h GLU 59 CO -0.00 1.04 -0.20 0.52 -1.18 0.00 0.00 179.01 179.18 2jt3 h MET 60 N 0.03 0.18 -0.25 1.92 2.86 -0.57 -2.94 114.93 116.16 2jt3 h MET 60 Ca -0.04 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.32 2jt3 h MET 60 Cb 1.77 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.46 2jt3 h MET 60 CO 0.15 0.85 -0.32 0.82 1.06 0.00 0.00 176.91 179.46 2jt3 h ILE 61 N -0.44 1.28 0.00 -1.22 5.03 -1.17 -2.32 117.51 118.67 2jt3 h ILE 61 Ca -0.02 -1.42 0.00 0.00 -0.12 0.00 0.00 64.86 63.31 2jt3 h ILE 61 Cb 0.90 1.44 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 2jt3 h ILE 61 CO 0.04 0.45 0.00 -0.67 -0.68 0.00 0.00 178.15 177.29 2jt3 n ASP 62 N -4.08 0.07 -0.49 1.72 -0.08 -0.83 -0.09 116.55 112.78 2jt3 n ASP 62 Ca -0.01 0.52 0.11 0.00 -1.51 0.00 0.00 54.79 53.90 2jt3 n ASP 62 Cb 0.46 -0.53 -0.00 0.00 2.34 0.00 0.00 41.12 43.38 2jt3 n ASP 62 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jt3 n GLU 63 N -1.58 1.24 0.00 -0.67 1.02 -0.88 -4.80 120.64 114.97 2jt3 n GLU 63 Ca 0.04 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 2jt3 n GLU 63 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2jt3 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jt3 n VAL 64 N -0.02 0.00 -2.66 2.62 0.31 -0.83 -4.99 118.33 112.76 2jt3 n VAL 64 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 2jt3 n VAL 64 Cb 0.46 -0.19 -0.03 0.00 -0.91 0.00 0.00 33.84 33.17 2jt3 n VAL 64 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jt3 s ASP 65 N -3.66 6.24 0.20 4.52 2.15 0.87 -4.65 116.67 122.35 2jt3 s ASP 65 Ca 0.00 -0.83 0.14 0.00 0.43 0.00 0.00 52.55 52.29 2jt3 s ASP 65 Cb 0.00 -2.51 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 2jt3 s ASP 65 CO 0.00 -1.64 1.26 1.05 -0.17 0.00 0.00 175.17 175.67 2jt3 h GLU 66 N 9.80 0.00 0.10 4.34 4.11 -1.88 -3.36 114.58 127.70 2jt3 h GLU 66 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.24 2jt3 h GLU 66 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2jt3 h GLU 66 CO 1.27 0.51 -0.05 0.38 0.07 0.00 0.00 179.01 181.18 2jt3 h ASP 67 N 0.00 -0.12 0.00 3.06 2.03 -1.92 -3.49 116.42 115.98 2jt3 h ASP 67 Ca -0.05 -0.46 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2jt3 h ASP 67 Cb 1.49 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.02 2jt3 h ASP 67 CO 0.07 0.48 0.00 0.61 -1.03 0.00 0.00 179.24 179.37 2jt3 n GLY 68 N 0.68 1.59 0.09 7.15 0.00 -1.26 -5.02 105.19 108.42 2jt3 n GLY 68 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 2jt3 n GLY 68 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jt3 h SER 69 N 0.00 0.00 0.00 1.61 0.87 -1.94 -3.48 113.55 110.60 2jt3 h SER 69 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jt3 h SER 69 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jt3 h SER 69 CO 0.00 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 2jt3 n GLY 70 N 1.10 2.86 3.34 5.77 0.00 -1.26 -5.06 105.19 111.94 2jt3 n GLY 70 Ca -0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2jt3 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jt3 s THR 71 N 0.00 0.25 -0.32 2.61 2.01 -1.26 -4.51 115.64 114.42 2jt3 s THR 71 Ca 0.00 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.03 2jt3 s THR 71 Cb 0.00 -2.48 0.09 0.00 0.01 0.00 0.00 72.50 70.12 2jt3 s THR 71 CO 0.00 0.00 0.02 -0.69 -0.69 0.00 0.00 174.62 173.26 2jt3 s VAL 72 N -3.55 2.03 0.00 3.82 1.01 -1.26 -5.00 120.40 117.45 2jt3 s VAL 72 Ca 0.36 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2jt3 s VAL 72 Cb 0.04 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2jt3 s VAL 72 CO 0.19 -0.48 0.00 0.47 0.00 0.00 0.00 175.10 175.28 2jt3 n ASP 73 N 4.39 0.00 -0.30 3.32 8.00 -1.26 -2.54 116.55 128.15 2jt3 n ASP 73 Ca -0.01 -0.65 -0.05 0.00 0.71 0.00 0.00 54.79 54.79 2jt3 n ASP 73 Cb 0.42 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.59 2jt3 n ASP 73 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2jt3 h PHE 74 N -0.57 1.22 -0.09 1.24 -0.00 -1.97 0.43 116.94 117.20 2jt3 h PHE 74 Ca 0.00 -0.08 -0.20 0.00 -0.00 0.00 0.00 57.97 57.69 2jt3 h PHE 74 Cb 0.00 -0.37 -0.00 0.00 -0.00 0.00 0.00 35.95 35.58 2jt3 h PHE 74 CO 0.00 0.91 -0.75 0.22 -0.00 0.00 0.00 178.31 178.69 2jt3 h ASP 75 N 1.18 0.60 1.13 -0.68 3.58 -2.01 -3.15 116.42 117.07 2jt3 h ASP 75 Ca 0.28 -0.40 -0.12 0.00 0.42 0.00 0.00 57.03 57.21 2jt3 h ASP 75 Cb 0.19 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2jt3 h ASP 75 CO -0.03 1.15 -0.55 -0.08 -2.88 0.00 0.00 179.24 176.85 2jt3 h GLU 76 N 0.34 0.00 -0.43 0.28 4.81 -1.82 -3.18 114.58 114.58 2jt3 h GLU 76 Ca -0.04 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2jt3 h GLU 76 Cb 1.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 2jt3 h GLU 76 CO 0.14 0.55 0.38 0.35 -0.73 0.00 0.00 179.01 179.70 2jt3 h PHE 77 N 0.00 0.00 0.03 0.92 3.57 -0.10 0.36 116.94 121.71 2jt3 h PHE 77 Ca -0.01 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 2jt3 h PHE 77 Cb 1.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2jt3 h PHE 77 CO 0.00 0.00 -1.10 -0.07 -2.23 0.00 0.00 178.31 174.91 2jt3 h LEU 78 N 0.00 0.08 0.21 0.59 3.38 -1.68 -3.33 115.31 114.57 2jt3 h LEU 78 Ca 0.20 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 2jt3 h LEU 78 Cb 0.96 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.71 2jt3 h LEU 78 CO -0.00 1.07 -1.48 0.58 0.09 0.00 0.00 178.44 178.71 2jt3 h VAL 79 N 0.01 1.27 -0.77 1.22 2.07 -0.74 -3.28 116.25 116.03 2jt3 h VAL 79 Ca -0.05 -2.76 0.22 0.00 0.82 0.00 0.00 66.70 64.93 2jt3 h VAL 79 Cb 1.83 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 34.54 2jt3 h VAL 79 CO 0.14 0.83 0.58 0.00 0.02 0.00 0.00 177.57 179.14 2jt3 h MET 80 N 0.12 0.00 -0.30 1.57 -0.00 -0.57 0.35 114.93 116.10 2jt3 h MET 80 Ca -0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.39 2jt3 h MET 80 Cb 2.12 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.71 2jt3 h MET 80 CO 0.24 0.00 -0.08 1.98 -0.00 0.00 0.00 176.91 179.06 2jt3 h MET 81 N 0.00 0.58 0.00 -0.10 -1.53 -1.67 0.43 114.93 112.65 2jt3 h MET 81 Ca 0.36 -0.22 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 2jt3 h MET 81 Cb 1.52 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 32.54 2jt3 h MET 81 CO -0.00 0.78 -0.26 -0.39 0.14 0.00 0.00 176.91 177.17 2jt3 h VAL 82 N 0.35 0.00 0.00 -5.77 -1.51 -1.02 -3.26 116.25 105.04 2jt3 h VAL 82 Ca 0.08 -0.55 -0.15 0.00 -1.23 0.00 0.00 66.70 64.85 2jt3 h VAL 82 Cb 0.56 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.08 2jt3 h VAL 82 CO 0.03 0.00 -1.27 0.03 -1.23 0.00 0.00 177.57 175.13 2jt3 h ARG 83 N 0.00 0.00 -0.02 5.19 3.08 -0.28 -3.32 114.38 119.02 2jt3 h ARG 83 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2jt3 h ARG 83 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 2jt3 h ARG 83 CO 0.00 0.31 0.06 1.03 -1.07 0.00 0.00 179.97 180.30 2jt3 h SER 84 N 0.00 0.00 0.00 7.04 0.87 -0.95 -3.13 113.55 117.38 2jt3 h SER 84 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2jt3 h SER 84 Cb 1.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2jt3 h SER 84 CO 0.05 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.58 2jt3 n MET 85 N -3.33 0.00 -2.72 2.24 2.81 -1.25 -4.76 117.12 110.11 2jt3 n MET 85 Ca -0.02 0.32 -0.11 0.00 -1.81 0.00 0.00 57.70 56.07 2jt3 n MET 85 Cb 0.14 -1.30 -0.02 0.00 -0.71 0.00 0.00 33.22 31.33 2jt3 n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jt3 n LYS 86 N -1.42 -2.07 -0.85 0.03 -0.00 -1.19 -4.70 118.16 107.96 2jt3 n LYS 86 Ca 0.00 0.04 -0.17 0.00 -0.00 0.00 0.00 58.31 58.18 2jt3 n LYS 86 Cb 0.00 -3.76 0.12 0.00 -0.00 0.00 0.00 35.03 31.39 2jt3 n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jt3 n ASP 87 N -1.43 3.61 -0.97 -5.58 -0.08 -1.26 -4.92 116.55 105.92 2jt3 n ASP 87 Ca 0.03 -3.11 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 2jt3 n ASP 87 Cb 0.40 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2jt3 n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2jt3 n ASP 88 N -0.62 0.00 -2.41 1.67 2.03 -1.26 -5.05 116.55 110.91 2jt3 n ASP 88 Ca 0.41 -0.97 -0.23 0.00 0.52 0.00 0.00 54.79 54.53 2jt3 n ASP 88 Cb 1.29 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.70 2jt3 n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jt3 n SER 89 N -0.09 4.20 -4.76 1.67 3.41 -1.26 -5.05 113.62 111.74 2jt3 n SER 89 Ca 0.00 -3.52 -0.36 0.00 -0.26 0.00 0.00 58.87 54.73 2jt3 n SER 89 Cb 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2jt3 n SER 89 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jt3 s LYS 90 N -3.51 3.26 -0.18 4.33 1.02 -1.26 -4.84 119.74 118.56 2jt3 s LYS 90 Ca 0.45 -0.28 -0.09 0.00 0.02 0.00 0.00 55.97 56.06 2jt3 s LYS 90 Cb 0.41 -3.00 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2jt3 s LYS 90 CO -0.10 0.70 0.19 0.41 -0.92 0.00 0.00 175.35 175.63 2jt3 n GLY 91 N 2.19 -4.88 3.12 -3.33 0.00 -1.26 -5.05 105.19 95.98 2jt3 n GLY 91 Ca -0.19 1.38 -0.08 0.00 0.00 0.00 0.00 46.02 47.13 2jt3 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jt3 s LYS 92 N -0.82 0.72 -0.04 1.61 -0.14 -1.26 -4.90 119.74 114.91 2jt3 s LYS 92 Ca -0.22 -1.29 0.04 0.00 -1.36 0.00 0.00 55.97 53.14 2jt3 s LYS 92 Cb 0.01 0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.30 2jt3 s LYS 92 CO 0.69 -0.13 -0.14 0.45 -0.76 0.00 0.00 175.35 175.46 2jt3 s SER 93 N -2.97 4.06 0.47 2.83 0.15 -1.26 -5.00 113.70 111.98 2jt3 s SER 93 Ca 0.12 -0.21 0.24 0.00 0.70 0.00 0.00 55.95 56.80 2jt3 s SER 93 Cb 0.08 -0.85 1.26 0.00 -1.71 0.00 0.00 66.02 64.80 2jt3 s SER 93 CO -0.06 0.34 1.88 1.05 1.20 0.00 0.00 173.24 177.64 2jt3 h GLU 94 N 5.22 0.21 -0.02 5.44 -0.00 -2.02 0.29 114.58 123.71 2jt3 h GLU 94 Ca -0.47 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.36 58.67 2jt3 h GLU 94 Cb 1.15 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.86 2jt3 h GLU 94 CO 0.50 0.14 -0.87 1.49 -0.00 0.00 0.00 179.01 180.27 2jt3 h GLU 95 N 0.22 0.39 -0.02 1.06 4.81 -2.02 -3.23 114.58 115.79 2jt3 h GLU 95 Ca 0.44 -0.39 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 2jt3 h GLU 95 Cb 1.36 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 2jt3 h GLU 95 CO -0.10 1.05 -0.81 1.49 -0.73 0.00 0.00 179.01 179.91 2jt3 h GLU 96 N 0.24 0.21 -0.11 1.92 4.81 -1.00 -3.09 114.58 117.56 2jt3 h GLU 96 Ca -0.06 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2jt3 h GLU 96 Cb 1.49 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.92 2jt3 h GLU 96 CO 0.15 0.91 0.20 -0.07 -0.73 0.00 0.00 179.01 179.47 2jt3 h LEU 97 N 0.13 0.00 -0.19 1.64 4.07 -0.68 -0.56 115.31 119.72 2jt3 h LEU 97 Ca -0.03 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.78 2jt3 h LEU 97 Cb 1.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.15 2jt3 h LEU 97 CO 0.12 0.00 -0.47 0.77 -1.08 0.00 0.00 178.44 177.79 2jt3 h SER 98 N 0.00 0.74 1.21 -0.43 4.64 -1.63 -3.06 113.55 115.02 2jt3 h SER 98 Ca 0.05 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2jt3 h SER 98 Cb 0.44 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2jt3 h SER 98 CO -0.00 1.18 -0.01 0.47 -0.87 0.00 0.00 176.83 177.59 2jt3 n ASP 99 N -4.19 0.40 0.39 4.97 9.92 -0.33 -3.40 116.55 124.30 2jt3 n ASP 99 Ca -0.06 0.52 -0.16 0.00 -0.53 0.00 0.00 54.79 54.56 2jt3 n ASP 99 Cb 0.58 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 40.36 2jt3 n ASP 99 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2jt3 h LEU 100 N 0.00 -0.85 -1.43 0.64 3.38 -1.15 0.31 115.31 116.21 2jt3 h LEU 100 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2jt3 h LEU 100 Cb 0.61 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2jt3 h LEU 100 CO 0.00 -0.50 -0.27 2.19 0.09 0.00 0.00 178.44 179.95 2jt3 h PHE 101 N -1.22 0.00 -0.01 1.13 -5.15 -1.68 0.48 116.94 110.50 2jt3 h PHE 101 Ca -0.10 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.45 2jt3 h PHE 101 Cb 0.79 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.96 2jt3 h PHE 101 CO -0.00 0.27 -0.90 0.00 -2.00 0.00 0.00 178.31 175.68 2jt3 h ARG 102 N 0.00 0.37 0.00 6.09 3.08 -1.55 -0.81 114.38 121.56 2jt3 h ARG 102 Ca -0.00 -0.39 -0.18 0.00 0.07 0.00 0.00 59.98 59.48 2jt3 h ARG 102 Cb 0.58 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2jt3 h ARG 102 CO 0.04 1.06 -1.02 0.52 -1.07 0.00 0.00 179.97 179.49 2jt3 h MET 103 N 0.22 0.00 0.04 0.04 2.86 -0.07 -3.31 114.93 114.71 2jt3 h MET 103 Ca -0.07 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.33 2jt3 h MET 103 Cb 1.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 2jt3 h MET 103 CO 0.15 0.65 -1.21 0.35 1.06 0.00 0.00 176.91 177.91 2jt3 h PHE 104 N 0.00 0.16 -0.78 -0.22 3.04 -0.93 -3.42 116.94 114.78 2jt3 h PHE 104 Ca -0.08 -0.12 -0.20 0.00 3.98 0.00 0.00 57.97 61.55 2jt3 h PHE 104 Cb 1.66 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 40.14 2jt3 h PHE 104 CO 0.00 1.11 0.58 0.34 -2.02 0.00 0.00 178.31 178.32 2jt3 s ASP 105 N -6.75 4.50 0.10 0.41 2.15 -0.31 -4.73 116.67 112.03 2jt3 s ASP 105 Ca -0.02 -0.04 0.06 0.00 0.43 0.00 0.00 52.55 52.98 2jt3 s ASP 105 Cb 0.09 -2.55 -0.22 0.00 -0.30 0.00 0.00 42.92 39.94 2jt3 s ASP 105 CO 0.84 -3.24 1.20 0.07 -0.17 0.00 0.00 175.17 173.86 2jt3 h LYS 106 N 13.29 0.04 0.00 4.34 2.10 -1.88 -3.19 116.57 131.26 2jt3 h LYS 106 Ca -0.02 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2jt3 h LYS 106 Cb 1.05 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2jt3 h LYS 106 CO 1.11 0.98 0.00 -1.71 -2.00 0.00 0.00 179.45 177.84 2jt3 n ASN 107 N -3.35 0.32 -3.58 7.07 5.15 -1.26 -4.90 115.26 114.70 2jt3 n ASN 107 Ca -0.03 0.59 -0.26 0.00 -0.60 0.00 0.00 54.58 54.27 2jt3 n ASN 107 Cb 0.96 -0.65 0.04 0.00 -0.53 0.00 0.00 39.78 39.60 2jt3 n ASN 107 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jt3 n ALA 108 N -1.63 -2.56 0.00 5.20 0.00 -1.21 -4.93 120.51 115.38 2jt3 n ALA 108 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2jt3 n ALA 108 Cb 0.18 -3.85 0.00 0.00 0.00 0.00 0.00 19.45 15.78 2jt3 n ALA 108 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jt3 n ASP 109 N -2.65 1.73 0.00 0.00 5.75 -1.26 -5.07 116.55 115.06 2jt3 n ASP 109 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2jt3 n ASP 109 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 2jt3 n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jt3 n GLY 110 N 3.18 2.55 3.83 6.12 0.00 -1.26 -5.13 105.19 114.48 2jt3 n GLY 110 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2jt3 n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jt3 s TYR 111 N -0.02 2.50 -0.06 1.61 2.02 -1.26 -4.57 117.35 117.57 2jt3 s TYR 111 Ca 0.00 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 2jt3 s TYR 111 Cb 0.00 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2jt3 s TYR 111 CO 0.00 -0.06 -0.23 0.42 -1.57 0.00 0.00 175.55 174.11 2jt3 s ILE 112 N -2.57 1.94 0.25 2.71 -1.09 0.14 -4.68 121.20 117.90 2jt3 s ILE 112 Ca 0.43 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2jt3 s ILE 112 Cb -0.00 -1.65 0.04 0.00 -1.58 0.00 0.00 42.46 39.27 2jt3 s ILE 112 CO 0.25 0.54 0.35 0.47 -1.23 0.00 0.00 174.94 175.32 2jt3 n ASP 113 N 3.08 0.81 0.19 3.58 9.92 -1.26 0.03 116.55 132.90 2jt3 n ASP 113 Ca -0.18 -1.61 0.07 0.00 -0.53 0.00 0.00 54.79 52.55 2jt3 n ASP 113 Cb 0.52 -0.19 0.25 0.00 -0.64 0.00 0.00 41.12 41.06 2jt3 n ASP 113 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2jt3 h LEU 114 N 0.00 0.00 -0.65 0.64 8.10 -1.97 -2.63 115.31 118.81 2jt3 h LEU 114 Ca -0.12 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.73 2jt3 h LEU 114 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 2jt3 h LEU 114 CO 0.16 0.31 -0.66 -0.78 -4.11 0.00 0.00 178.44 173.35 2jt3 h ASP 115 N 0.00 0.09 0.13 0.17 1.82 -1.98 -1.16 116.42 115.49 2jt3 h ASP 115 Ca -0.00 -0.06 -0.20 0.00 -0.39 0.00 0.00 57.03 56.38 2jt3 h ASP 115 Cb 1.03 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 41.03 2jt3 h ASP 115 CO 0.04 0.72 -0.92 -0.33 -1.61 0.00 0.00 179.24 177.15 2jt3 h GLU 116 N 0.05 0.27 0.00 0.28 5.08 -1.93 -3.23 114.58 115.10 2jt3 h GLU 116 Ca -0.01 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 2jt3 h GLU 116 Cb 1.17 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2jt3 h GLU 116 CO 0.09 1.22 -0.32 1.37 -1.00 0.00 0.00 179.01 180.37 2jt3 h LEU 117 N -0.39 0.00 -1.06 1.33 8.10 -1.52 -2.63 115.31 119.13 2jt3 h LEU 117 Ca -0.17 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.73 2jt3 h LEU 117 Cb 1.64 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.85 2jt3 h LEU 117 CO 0.12 0.32 -0.40 0.50 -4.11 0.00 0.00 178.44 174.87 2jt3 h LYS 118 N 0.00 0.00 -0.50 0.17 3.64 -1.30 -2.94 116.57 115.63 2jt3 h LYS 118 Ca -0.00 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 2jt3 h LYS 118 Cb 0.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2jt3 h LYS 118 CO 0.04 0.40 0.53 0.82 -2.27 0.00 0.00 179.45 178.98 2jt3 h ILE 119 N 0.00 0.34 -1.00 2.00 1.08 -1.48 0.49 117.51 118.93 2jt3 h ILE 119 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2jt3 h ILE 119 Cb 0.83 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 2jt3 h ILE 119 CO 0.05 0.00 0.66 -0.03 -0.69 0.00 0.00 178.15 178.14 2jt3 h MET 120 N 0.00 1.27 -0.05 2.37 4.05 -1.70 0.23 114.93 121.11 2jt3 h MET 120 Ca 0.24 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2jt3 h MET 120 Cb 1.30 -0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2jt3 h MET 120 CO -0.00 0.84 0.00 1.47 0.23 0.00 0.00 176.91 179.45 2jt3 n LEU 121 N -4.42 1.96 -0.03 3.39 -0.00 0.39 -4.47 117.00 113.82 2jt3 n LEU 121 Ca 0.13 -1.12 0.05 0.00 -0.00 0.00 0.00 56.01 55.07 2jt3 n LEU 121 Cb 0.06 -0.03 -0.14 0.00 -0.00 0.00 0.00 43.42 43.31 2jt3 n LEU 121 CO 0.36 0.40 -0.80 1.67 -0.00 0.00 0.00 177.39 179.02 2jt3 n GLN 122 N 0.54 0.71 -1.10 1.47 7.27 0.14 -4.12 117.38 122.29 2jt3 n GLN 122 Ca 0.06 -0.13 -0.18 0.00 0.07 0.00 0.00 57.00 56.82 2jt3 n GLN 122 Cb 0.27 -1.44 0.20 0.00 2.41 0.00 0.00 30.24 31.68 2jt3 n GLN 122 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jt3 n ALA 123 N -2.25 5.16 -0.53 1.69 0.00 0.80 -4.62 120.51 120.75 2jt3 n ALA 123 Ca -0.09 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.79 2jt3 n ALA 123 Cb 0.61 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2jt3 n ALA 123 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jt3 n THR 124 N -0.79 0.00 0.00 0.00 -2.24 -1.26 -5.03 114.28 104.95 2jt3 n THR 124 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 2jt3 n THR 124 Cb 1.53 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2jt3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jt3 n GLY 125 N 1.45 -1.09 3.68 3.38 0.00 -1.26 -5.11 105.19 106.23 2jt3 n GLY 125 Ca 0.00 0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.96 2jt3 n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jt3 n GLU 126 N 0.00 2.26 -1.11 1.61 -0.58 -1.26 -4.89 120.64 116.67 2jt3 n GLU 126 Ca 0.00 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 2jt3 n GLU 126 Cb 0.00 -2.62 0.00 0.00 -0.57 0.00 0.00 31.44 28.25 2jt3 n GLU 126 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2jt3 n THR 127 N 3.86 0.00 -1.83 2.62 5.66 -1.26 -5.03 114.28 118.30 2jt3 n THR 127 Ca 0.18 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.89 2jt3 n THR 127 Cb 0.30 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.16 2jt3 n THR 127 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2jt3 s ILE 128 N -2.21 2.49 0.72 1.09 1.09 -1.26 -5.05 121.20 118.08 2jt3 s ILE 128 Ca 0.00 0.16 -0.11 0.00 -1.10 0.00 0.00 60.65 59.60 2jt3 s ILE 128 Cb 0.00 -3.11 0.02 0.00 -1.06 0.00 0.00 42.46 38.31 2jt3 s ILE 128 CO 0.00 -0.21 1.08 0.42 -0.10 0.00 0.00 174.94 176.13 2jt3 s THR 129 N -3.46 3.65 0.64 2.92 -4.23 -1.26 -4.90 115.64 109.01 2jt3 s THR 129 Ca 0.61 0.57 0.34 0.00 -1.18 0.00 0.00 61.69 62.03 2jt3 s THR 129 Cb -0.12 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 70.92 2jt3 s THR 129 CO 0.51 -0.67 2.12 1.05 -0.54 0.00 0.00 174.62 177.09 2jt3 h GLU 130 N -0.75 0.00 0.00 3.99 4.11 -2.01 0.16 114.58 120.08 2jt3 h GLU 130 Ca -0.44 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.94 2jt3 h GLU 130 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2jt3 h GLU 130 CO 0.54 0.00 -0.26 0.38 0.07 0.00 0.00 179.01 179.75 2jt3 h ASP 131 N 0.00 0.00 -0.13 3.06 3.04 -2.01 -2.87 116.42 117.51 2jt3 h ASP 131 Ca 0.03 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.75 2jt3 h ASP 131 Cb 0.42 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.71 2jt3 h ASP 131 CO -0.00 0.26 -0.19 -0.78 -2.04 0.00 0.00 179.24 176.49 2jt3 h ASP 132 N 0.00 0.39 -0.26 4.15 3.58 -1.03 -3.14 116.42 120.11 2jt3 h ASP 132 Ca -0.00 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 2jt3 h ASP 132 Cb 0.58 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2jt3 h ASP 132 CO 0.03 0.84 0.13 0.40 -2.88 0.00 0.00 179.24 177.75 2jt3 h ILE 133 N -0.04 1.12 -0.08 2.25 5.03 -1.60 -1.81 117.51 122.38 2jt3 h ILE 133 Ca 0.01 -0.37 0.04 0.00 -0.12 0.00 0.00 64.86 64.42 2jt3 h ILE 133 Cb 0.75 0.75 -0.05 0.00 -3.03 0.00 0.00 36.82 35.24 2jt3 h ILE 133 CO 0.04 0.14 -0.23 -0.33 -0.68 0.00 0.00 178.15 177.10 2jt3 h GLU 134 N 0.43 -0.31 0.00 2.37 5.08 -1.46 -1.63 114.58 119.07 2jt3 h GLU 134 Ca 0.11 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2jt3 h GLU 134 Cb 0.09 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jt3 h GLU 134 CO -0.01 -0.20 -0.43 0.93 -1.00 0.00 0.00 179.01 178.29 2jt3 h GLU 135 N -0.32 0.00 -0.16 2.33 5.08 -1.54 -3.28 114.58 116.68 2jt3 h GLU 135 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2jt3 h GLU 135 Cb 0.44 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 2jt3 h GLU 135 CO -0.26 0.43 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.64 2jt3 h LEU 136 N 0.00 -1.49 -1.54 1.33 -0.00 -0.42 0.65 115.31 113.84 2jt3 h LEU 136 Ca -0.00 0.19 0.16 0.00 -0.00 0.00 0.00 57.88 58.23 2jt3 h LEU 136 Cb 0.94 0.60 -0.05 0.00 -0.00 0.00 0.00 40.66 42.15 2jt3 h LEU 136 CO 0.06 -0.44 0.53 -0.03 -0.00 0.00 0.00 178.44 178.55 2jt3 h MET 137 N -0.51 0.43 0.00 1.13 4.05 -1.57 0.37 114.93 118.82 2jt3 h MET 137 Ca 0.07 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2jt3 h MET 137 Cb 0.65 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2jt3 h MET 137 CO -0.44 0.28 -0.14 -0.22 0.23 0.00 0.00 176.91 176.63 2jt3 h LYS 138 N 0.44 0.00 0.07 0.39 3.64 -1.00 0.54 116.57 120.64 2jt3 h LYS 138 Ca 0.40 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.41 2jt3 h LYS 138 Cb 0.90 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 2jt3 h LYS 138 CO -0.14 0.14 -2.15 -3.47 -2.27 0.00 0.00 179.45 171.56 2jt3 n ASP 139 N -3.97 2.05 0.22 4.20 2.03 0.92 -4.26 116.55 117.75 2jt3 n ASP 139 Ca -0.02 0.11 0.08 0.00 0.52 0.00 0.00 54.79 55.48 2jt3 n ASP 139 Cb 0.23 -0.71 0.52 0.00 -0.72 0.00 0.00 41.12 40.44 2jt3 n ASP 139 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jt3 h GLY 140 N 1.18 0.00 -7.66 0.27 0.00 -0.40 -3.39 103.07 93.07 2jt3 h GLY 140 Ca -0.49 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.15 2jt3 h GLY 140 CO -0.02 0.00 -0.63 -0.35 0.00 0.00 0.00 176.54 175.54 2jt3 s ASP 141 N -6.41 5.10 0.34 0.19 -1.08 0.17 -4.51 116.67 110.47 2jt3 s ASP 141 Ca -0.02 -1.48 0.11 0.00 -0.52 0.00 0.00 52.55 50.65 2jt3 s ASP 141 Cb 0.13 -1.78 0.61 0.00 -1.46 0.00 0.00 42.92 40.41 2jt3 s ASP 141 CO 0.65 -0.36 1.77 0.11 0.52 0.00 0.00 175.17 177.85 2jt3 h LYS 142 N 8.06 0.04 0.00 4.34 1.79 -1.82 -2.84 116.57 126.14 2jt3 h LYS 142 Ca -0.19 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.07 2jt3 h LYS 142 Cb 1.06 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.68 2jt3 h LYS 142 CO 0.60 0.46 -0.92 -0.91 -1.08 0.00 0.00 179.45 177.60 2jt3 h ASN 143 N 0.03 0.00 -5.19 0.86 2.35 -1.93 -3.48 115.58 108.23 2jt3 h ASN 143 Ca -0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 2jt3 h ASN 143 Cb 0.77 0.00 0.17 0.00 0.05 0.00 0.00 38.32 39.31 2jt3 h ASN 143 CO 0.06 0.92 -0.75 0.59 -1.65 0.00 0.00 177.43 176.60 2jt3 n ASN 144 N -3.44 -5.34 0.00 5.81 3.02 -1.07 -4.96 115.26 109.28 2jt3 n ASN 144 Ca -0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2jt3 n ASN 144 Cb 0.87 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 2jt3 n ASN 144 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2jt3 n ASP 145 N -3.01 4.39 0.00 6.41 5.68 -1.26 -5.05 116.55 123.71 2jt3 n ASP 145 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 2jt3 n ASP 145 Cb 0.62 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 2jt3 n ASP 145 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jt3 n GLY 146 N 3.28 1.30 3.43 6.12 0.00 -1.26 -5.15 105.19 112.90 2jt3 n GLY 146 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jt3 n GLY 146 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jt3 s ARG 147 N 0.00 0.68 -0.34 1.61 1.70 -1.26 -4.65 118.95 116.68 2jt3 s ARG 147 Ca 0.00 0.60 0.03 0.00 -0.47 0.00 0.00 55.73 55.89 2jt3 s ARG 147 Cb 0.00 0.33 0.10 0.00 -0.57 0.00 0.00 34.95 34.81 2jt3 s ARG 147 CO 0.00 -0.11 0.07 0.42 -1.08 0.00 0.00 175.30 174.60 2jt3 s ILE 148 N -0.05 1.95 0.00 4.99 -1.09 0.10 -4.78 121.20 122.33 2jt3 s ILE 148 Ca -0.03 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.23 2jt3 s ILE 148 Cb -0.03 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.40 2jt3 s ILE 148 CO 0.02 -0.63 0.00 -0.90 -1.23 0.00 0.00 174.94 172.20 2jt3 n ASP 149 N 4.34 0.00 0.09 3.58 5.68 -1.26 0.24 116.55 129.23 2jt3 n ASP 149 Ca 0.03 -0.98 -0.09 0.00 -0.50 0.00 0.00 54.79 53.25 2jt3 n ASP 149 Cb 0.42 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.34 2jt3 n ASP 149 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2jt3 h TYR 150 N -0.96 -0.79 -0.44 2.11 5.03 -1.99 0.34 116.97 120.27 2jt3 h TYR 150 Ca 0.00 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.41 2jt3 h TYR 150 Cb 0.00 0.33 -0.08 0.00 1.55 0.00 0.00 36.73 38.52 2jt3 h TYR 150 CO 0.00 -0.33 -0.11 -0.44 -1.32 0.00 0.00 178.16 175.97 2jt3 h ASP 151 N -0.44 -0.40 -0.72 -2.11 5.19 -2.00 0.56 116.42 116.49 2jt3 h ASP 151 Ca -0.01 0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.62 2jt3 h ASP 151 Cb 0.42 0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.15 2jt3 h ASP 151 CO -0.11 -0.14 0.48 -0.33 -3.12 0.00 0.00 179.24 176.01 2jt3 h GLU 152 N 0.00 0.63 -0.30 3.56 5.08 -1.82 -0.70 114.58 121.04 2jt3 h GLU 152 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2jt3 h GLU 152 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jt3 h GLU 152 CO -0.45 0.42 -0.25 2.35 -1.00 0.00 0.00 179.01 180.07 2jt3 h TRP 153 N 0.65 0.66 0.00 4.33 2.91 0.19 -2.41 115.95 122.28 2jt3 h TRP 153 Ca 0.33 -0.15 -0.06 0.00 1.13 0.00 0.00 58.89 60.14 2jt3 h TRP 153 Cb 0.43 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 2jt3 h TRP 153 CO -0.00 0.78 -0.27 -0.07 -1.03 0.00 0.00 178.44 177.85 2jt3 h LEU 154 N 0.51 0.00 -0.04 0.65 -0.00 -0.14 -2.54 115.31 113.75 2jt3 h LEU 154 Ca 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.71 2jt3 h LEU 154 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2jt3 h LEU 154 CO 0.05 0.27 -1.08 -0.33 -0.00 0.00 0.00 178.44 177.36 2jt3 h GLU 155 N 0.00 0.25 -0.69 1.13 3.07 -1.15 -3.01 114.58 114.19 2jt3 h GLU 155 Ca -0.00 -0.36 -0.07 0.00 -0.50 0.00 0.00 59.36 58.43 2jt3 h GLU 155 Cb 0.49 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 2jt3 h GLU 155 CO 0.04 1.12 0.17 0.35 -1.40 0.00 0.00 179.01 179.28 2jt3 h PHE 156 N 0.11 1.16 -1.05 4.33 3.57 -1.06 -2.96 116.94 121.04 2jt3 h PHE 156 Ca -0.09 -0.14 -0.65 0.00 3.53 0.00 0.00 57.97 60.62 2jt3 h PHE 156 Cb 1.77 -0.33 -0.33 0.00 2.79 0.00 0.00 35.95 39.86 2jt3 h PHE 156 CO 0.05 0.95 0.42 -0.12 -2.23 0.00 0.00 178.31 177.37 2jt3 n MET 157 N -4.26 2.95 0.07 1.11 1.56 -0.99 -4.56 117.12 113.00 2jt3 n MET 157 Ca 0.05 -3.57 -0.18 0.00 -0.27 0.00 0.00 57.70 53.72 2jt3 n MET 157 Cb 0.26 -2.28 -0.14 0.00 2.15 0.00 0.00 33.22 33.20 2jt3 n MET 157 CO 0.00 0.00 0.00 1.57 -0.73 0.00 0.00 175.97 176.81 2jt3 h LYS 158 N 2.16 0.28 -0.75 2.12 5.09 -1.37 -3.45 116.57 120.64 2jt3 h LYS 158 Ca 0.54 -0.48 -0.00 0.00 0.09 0.00 0.00 60.65 60.79 2jt3 h LYS 158 Cb 0.92 0.18 -0.18 0.00 0.10 0.00 0.00 32.23 33.25 2jt3 h LYS 158 CO 1.35 1.15 -0.34 0.20 -2.09 0.00 0.00 179.45 179.72 2jt3 s GLY 159 N -4.96 -1.36 -0.33 0.07 0.00 -1.26 -5.10 107.32 94.37 2jt3 s GLY 159 Ca -0.10 0.54 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 2jt3 s GLY 159 CO 0.86 3.87 0.18 -1.34 0.00 0.00 0.00 173.10 176.67 2jt3 s VAL 160 N 1.85 0.04 -1.19 1.40 -7.23 -1.26 -5.16 120.40 108.85 2jt3 s VAL 160 Ca 0.16 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2jt3 s VAL 160 Cb -0.02 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2jt3 s VAL 160 CO -0.09 -0.88 0.30 -0.62 -0.31 0.00 0.00 175.10 173.49