#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jf4 s GLN 38 N 0.00 3.25 0.74 0.54 2.00 -1.26 -5.01 119.66 119.92 2jf4 s GLN 38 Ca 0.00 -0.37 -0.15 0.00 -2.00 0.00 0.00 55.36 52.83 2jf4 s GLN 38 Cb 0.00 -2.91 0.04 0.00 0.80 0.00 0.00 33.01 30.93 2jf4 s GLN 38 CO 0.00 0.61 1.23 -0.35 -0.50 0.00 0.00 175.29 176.28 2jf4 n PRO 39 N 2.45 0.60 0.26 1.67 -0.04 -1.26 -4.57 135.00 134.11 2jf4 n PRO 39 Ca -0.18 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2jf4 n PRO 39 Cb 0.53 -2.47 0.68 0.00 -0.04 0.00 0.00 33.50 32.21 2jf4 n PRO 39 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2jf4 h PRO 40 N -0.26 0.00 0.00 0.54 0.11 -1.90 -0.77 132.00 129.71 2jf4 h PRO 40 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2jf4 h PRO 40 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2jf4 h PRO 40 CO 0.49 0.04 -0.25 0.38 -0.21 0.00 0.00 178.00 178.45 2jf4 h ASP 41 N 0.00 0.00 0.00 -2.05 2.03 -1.91 0.16 116.42 114.64 2jf4 h ASP 41 Ca -0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 2jf4 h ASP 41 Cb 0.08 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.55 2jf4 h ASP 41 CO 0.01 0.25 -0.96 0.40 -1.03 0.00 0.00 179.24 177.90 2jf4 h ILE 42 N 0.00 0.83 -0.55 4.15 2.04 -1.57 -2.53 117.51 119.88 2jf4 h ILE 42 Ca -0.00 -1.96 0.11 0.00 1.00 0.00 0.00 64.86 64.00 2jf4 h ILE 42 Cb 0.52 1.91 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 2jf4 h ILE 42 CO 0.03 0.28 0.02 0.25 0.00 0.00 0.00 178.15 178.74 2jf4 h LEU 43 N -1.00 -0.19 -2.68 1.44 5.85 -1.19 -2.94 115.31 114.61 2jf4 h LEU 43 Ca -0.24 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2jf4 h LEU 43 Cb 1.10 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2jf4 h LEU 43 CO -0.15 -0.07 0.00 0.18 -0.34 0.00 0.00 178.44 178.06 2jf4 n LEU 44 N -5.22 3.33 0.00 2.25 7.99 0.55 -4.81 117.00 121.08 2jf4 n LEU 44 Ca 0.07 -1.88 0.00 0.00 -0.01 0.00 0.00 56.01 54.19 2jf4 n LEU 44 Cb 0.30 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 2jf4 n LEU 44 CO 0.15 0.81 0.00 0.61 -1.51 0.00 0.00 177.39 177.45 2jf4 n GLY 45 N 1.08 1.36 0.35 -0.72 0.00 -0.95 -1.87 105.19 104.43 2jf4 n GLY 45 Ca 0.17 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 2jf4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jf4 h PRO 46 N 0.00 1.06 -0.75 1.61 0.13 -1.93 -2.88 132.00 129.25 2jf4 h PRO 46 Ca 0.00 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2jf4 h PRO 46 Cb 0.00 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 30.86 2jf4 h PRO 46 CO 0.00 0.73 0.46 1.25 -0.23 0.00 0.00 178.00 180.21 2jf4 h LEU 47 N 1.09 0.88 0.04 1.56 5.85 -1.78 -2.09 115.31 120.87 2jf4 h LEU 47 Ca 0.29 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2jf4 h LEU 47 Cb -0.08 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 2jf4 h LEU 47 CO -0.06 0.67 -0.04 0.15 -0.34 0.00 0.00 178.44 178.83 2jf4 h PHE 48 N 1.02 -0.10 -0.51 1.25 3.57 -1.25 0.64 116.94 121.56 2jf4 h PHE 48 Ca 0.27 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.87 2jf4 h PHE 48 Cb -0.06 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.63 2jf4 h PHE 48 CO -0.01 -0.06 -0.03 -0.97 -2.23 0.00 0.00 178.31 175.00 2jf4 h ASN 49 N -0.09 -0.29 -0.51 0.41 -1.24 -1.47 -1.22 115.58 111.17 2jf4 h ASN 49 Ca 0.00 0.13 -0.13 0.00 0.71 0.00 0.00 56.30 57.02 2jf4 h ASN 49 Cb 0.09 0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 2jf4 h ASN 49 CO -0.02 -0.10 -0.17 0.44 -1.29 0.00 0.00 177.43 176.29 2jf4 h ASP 50 N 0.08 1.03 -0.21 1.15 3.32 -1.04 0.37 116.42 121.12 2jf4 h ASP 50 Ca 0.26 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 2jf4 h ASP 50 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2jf4 h ASP 50 CO -0.45 1.17 -0.02 0.58 -1.72 0.00 0.00 179.24 178.79 2jf4 h VAL 51 N 0.88 1.27 0.47 -1.35 2.07 -0.69 -1.41 116.25 117.49 2jf4 h VAL 51 Ca 0.12 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2jf4 h VAL 51 Cb 0.75 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2jf4 h VAL 51 CO 0.06 0.29 -0.22 1.56 0.02 0.00 0.00 177.57 179.28 2jf4 h GLN 52 N 0.13 -0.60 -0.55 1.57 1.08 -1.18 -2.83 115.11 112.74 2jf4 h GLN 52 Ca 0.06 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.38 2jf4 h GLN 52 Cb 0.45 0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 2jf4 h GLN 52 CO 0.02 -0.40 0.37 -0.91 -0.95 0.00 0.00 178.83 176.95 2jf4 h ASN 53 N -0.63 0.34 0.91 1.46 2.35 -0.97 0.39 115.58 119.43 2jf4 h ASN 53 Ca -0.06 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2jf4 h ASN 53 Cb 0.48 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2jf4 h ASN 53 CO 0.11 0.21 0.00 0.00 -1.65 0.00 0.00 177.43 176.10 2jf4 h ALA 54 N 1.72 1.00 -6.22 -0.83 0.00 -1.10 -3.47 119.26 110.35 2jf4 h ALA 54 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.71 2jf4 h ALA 54 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jf4 h ALA 54 CO -0.06 0.00 -0.86 1.63 0.00 0.00 0.00 179.25 179.96 2jf4 n LYS 55 N -2.59 -4.14 0.28 0.00 5.02 0.13 -4.86 118.16 111.99 2jf4 n LYS 55 Ca 0.02 0.54 0.15 0.00 -2.02 0.00 0.00 58.31 57.00 2jf4 n LYS 55 Cb 0.28 -4.91 0.79 0.00 -0.02 0.00 0.00 35.03 31.16 2jf4 n LYS 55 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jf4 h LEU 56 N -1.85 0.00 -8.35 -0.35 3.38 -1.81 -3.42 115.31 102.91 2jf4 h LEU 56 Ca -0.62 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 56.80 2jf4 h LEU 56 Cb 1.36 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.82 2jf4 h LEU 56 CO 0.58 0.08 -0.84 -0.36 0.09 0.00 0.00 178.44 178.00 2jf4 s PHE 57 N -4.09 1.61 0.52 1.13 0.08 -1.26 -5.05 117.98 110.91 2jf4 s PHE 57 Ca -0.02 -0.31 0.17 0.00 0.12 0.00 0.00 56.93 56.88 2jf4 s PHE 57 Cb 0.12 -1.03 1.27 0.00 -0.57 0.00 0.00 43.02 42.82 2jf4 s PHE 57 CO 0.55 -0.02 2.14 -1.00 -0.10 0.00 0.00 175.22 176.79 2jf4 h PRO 58 N 5.63 0.00 -5.49 0.24 0.13 -2.02 -3.40 132.00 127.09 2jf4 h PRO 58 Ca -0.37 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.11 2jf4 h PRO 58 Cb 1.15 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 2jf4 h PRO 58 CO 0.48 0.02 -0.63 0.34 -0.23 0.00 0.00 178.00 177.98 2jf4 s ASP 59 N -7.01 5.10 0.52 1.44 -1.08 -1.26 -5.00 116.67 109.39 2jf4 s ASP 59 Ca -0.05 -0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 2jf4 s ASP 59 Cb 0.17 -1.73 1.40 0.00 -1.46 0.00 0.00 42.92 41.30 2jf4 s ASP 59 CO 0.67 0.23 2.02 1.56 0.52 0.00 0.00 175.17 180.17 2jf4 h GLN 60 N 6.26 0.00 0.00 4.34 1.08 -1.78 -2.83 115.11 122.18 2jf4 h GLN 60 Ca -0.38 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.77 2jf4 h GLN 60 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2jf4 h GLN 60 CO 0.62 0.11 -0.26 -0.22 -0.95 0.00 0.00 178.83 178.13 2jf4 h LYS 61 N 0.00 0.00 0.11 1.46 3.64 -1.83 -3.28 116.57 116.67 2jf4 h LYS 61 Ca -0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jf4 h LYS 61 Cb 0.44 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2jf4 h LYS 61 CO 0.01 0.26 -0.45 1.15 -2.27 0.00 0.00 179.45 178.16 2jf4 h THR 62 N 0.00 0.11 0.00 1.00 2.02 -1.85 -1.80 112.91 112.40 2jf4 h THR 62 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2jf4 h THR 62 Cb 0.74 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2jf4 h THR 62 CO 0.03 0.00 -0.61 0.15 0.37 0.00 0.00 175.52 175.46 2jf4 h PHE 63 N -0.68 0.00 -0.38 3.16 3.57 -1.77 -2.33 116.94 118.51 2jf4 h PHE 63 Ca 0.02 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.63 2jf4 h PHE 63 Cb 0.70 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2jf4 h PHE 63 CO -0.40 0.61 0.30 0.00 -2.23 0.00 0.00 178.31 176.60 2jf4 h ALA 64 N 1.39 2.28 -0.64 2.41 0.00 -1.56 -1.87 119.26 121.27 2jf4 h ALA 64 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jf4 h ALA 64 Cb 1.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jf4 h ALA 64 CO 0.08 -0.49 0.00 -0.25 0.00 0.00 0.00 179.25 178.59 2jf4 n ASP 65 N -4.25 4.33 -4.80 0.00 8.00 -0.70 -4.68 116.55 114.44 2jf4 n ASP 65 Ca 0.06 -2.29 -0.36 0.00 0.71 0.00 0.00 54.79 52.92 2jf4 n ASP 65 Cb 0.48 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 2jf4 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jf4 s ALA 66 N -1.54 3.29 -0.24 2.24 0.00 -0.71 -4.38 121.76 120.43 2jf4 s ALA 66 Ca 0.48 0.32 -0.08 0.00 0.00 0.00 0.00 51.96 52.68 2jf4 s ALA 66 Cb 0.29 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 2jf4 s ALA 66 CO 0.26 0.25 0.08 0.08 0.00 0.00 0.00 175.76 176.43 2jf4 s VAL 67 N -1.65 4.52 0.16 0.00 1.01 0.54 -4.60 120.40 120.38 2jf4 s VAL 67 Ca 0.48 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 62.04 2jf4 s VAL 67 Cb -0.16 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 2jf4 s VAL 67 CO 0.21 0.36 1.64 -2.84 0.00 0.00 0.00 175.10 174.47 2jf4 s PRO 68 N 1.34 4.18 0.35 2.72 0.02 -1.26 -0.32 135.00 142.02 2jf4 s PRO 68 Ca 0.05 2.44 0.27 0.00 0.02 0.00 0.00 61.00 63.78 2jf4 s PRO 68 Cb -0.15 -3.23 1.08 0.00 0.02 0.00 0.00 34.50 32.22 2jf4 s PRO 68 CO 0.04 -0.68 1.79 -0.91 -0.33 0.00 0.00 177.00 176.91 2jf4 h ASN 69 N 7.15 0.00 -5.41 2.53 2.35 -0.71 -3.46 115.58 118.03 2jf4 h ASN 69 Ca -0.43 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.11 2jf4 h ASN 69 Cb 1.20 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.51 2jf4 h ASN 69 CO 0.93 0.00 -0.11 -0.94 -1.65 0.00 0.00 177.43 175.66 2jf4 s SER 70 N -4.71 0.65 -0.01 5.81 1.04 -1.26 -5.08 113.70 110.14 2jf4 s SER 70 Ca 0.04 -1.36 -0.36 0.00 0.48 0.00 0.00 55.95 54.74 2jf4 s SER 70 Cb 0.09 0.68 -0.15 0.00 0.10 0.00 0.00 66.02 66.75 2jf4 s SER 70 CO 0.45 -1.34 1.57 -0.67 0.98 0.00 0.00 173.24 174.23 2jf4 n ASP 71 N -1.28 2.41 -0.24 7.02 -0.08 -1.26 -4.83 116.55 118.28 2jf4 n ASP 71 Ca -0.01 1.08 0.05 0.00 -1.51 0.00 0.00 54.79 54.40 2jf4 n ASP 71 Cb 0.61 -1.26 0.17 0.00 2.34 0.00 0.00 41.12 42.98 2jf4 n ASP 71 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2jf4 h PRO 72 N 6.16 0.21 -0.27 -0.67 0.11 -1.95 -2.07 132.00 133.51 2jf4 h PRO 72 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jf4 h PRO 72 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jf4 h PRO 72 CO 0.87 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 180.08 2jf4 n LEU 73 N -5.21 0.00 0.00 2.35 4.77 -1.26 -0.43 117.00 117.22 2jf4 n LEU 73 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2jf4 n LEU 73 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jf4 n LEU 73 CO 0.11 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.79 2jf4 n ILE 75 N 0.45 0.00 -0.08 -0.08 5.41 -0.78 -1.92 119.36 122.36 2jf4 n ILE 75 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 2jf4 n ILE 75 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 2jf4 n ILE 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jf4 h LEU 76 N 0.00 0.92 -0.34 1.39 3.38 -1.02 -0.18 115.31 119.46 2jf4 h LEU 76 Ca 0.00 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 2jf4 h LEU 76 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2jf4 h LEU 76 CO 0.00 1.27 0.20 0.00 0.09 0.00 0.00 178.44 180.00 2jf4 h ALA 77 N 0.68 0.44 -0.33 1.53 0.00 -1.63 -1.48 119.26 118.47 2jf4 h ALA 77 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jf4 h ALA 77 Cb 1.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2jf4 h ALA 77 CO 0.11 -0.05 0.07 0.22 0.00 0.00 0.00 179.25 179.60 2jf4 h ASP 78 N 0.44 0.03 -0.57 0.00 1.82 -1.81 -2.84 116.42 113.49 2jf4 h ASP 78 Ca 0.12 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2jf4 h ASP 78 Cb 0.03 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 2jf4 h ASP 78 CO -0.02 0.05 0.33 0.22 -1.61 0.00 0.00 179.24 178.21 2jf4 h TYR 79 N 0.20 0.78 0.00 0.28 3.20 -0.90 -1.91 116.97 118.62 2jf4 h TYR 79 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2jf4 h TYR 79 Cb 0.17 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2jf4 h TYR 79 CO -0.17 0.56 0.00 -2.13 -1.64 0.00 0.00 178.16 174.77 2jf4 n ARG 80 N -4.61 0.00 0.00 1.82 3.00 -0.57 -0.42 116.66 115.88 2jf4 n ARG 80 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2jf4 n ARG 80 Cb 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.35 2jf4 n ARG 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2jf4 n GLN 82 N 0.69 0.00 -0.09 -0.14 6.02 -0.72 -4.64 117.38 118.49 2jf4 n GLN 82 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.15 2jf4 n GLN 82 Cb 0.00 0.00 0.56 0.00 1.02 0.00 0.00 30.24 31.82 2jf4 n GLN 82 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2jf4 h GLN 83 N 0.00 0.28 -0.32 -1.09 3.07 -1.00 -0.39 115.11 115.66 2jf4 h GLN 83 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2jf4 h GLN 83 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.50 2jf4 h GLN 83 CO 0.00 0.18 0.00 0.09 0.09 0.00 0.00 178.83 179.19 2jf4 n ASN 84 N -4.45 3.39 -4.81 0.06 5.03 -1.26 -4.86 115.26 108.37 2jf4 n ASN 84 Ca 0.12 -2.00 -0.33 0.00 0.87 0.00 0.00 54.58 53.24 2jf4 n ASN 84 Cb 0.52 -0.20 -0.00 0.00 -1.02 0.00 0.00 39.78 39.07 2jf4 n ASN 84 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2jf4 s GLN 85 N -1.59 3.46 0.09 3.52 -0.21 -0.16 -4.98 119.66 119.80 2jf4 s GLN 85 Ca 0.37 1.21 -0.31 0.00 0.02 0.00 0.00 55.36 56.65 2jf4 s GLN 85 Cb 0.22 -2.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.10 2jf4 s GLN 85 CO 0.31 -0.69 1.51 -1.54 -2.12 0.00 0.00 175.29 172.76 2jf4 s SER 86 N -2.66 6.71 -0.66 5.90 1.04 -1.26 -2.73 113.70 120.03 2jf4 s SER 86 Ca 0.64 2.40 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2jf4 s SER 86 Cb -0.16 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2jf4 s SER 86 CO 0.33 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2jf4 n GLY 87 N 3.73 0.62 3.72 7.32 0.00 -1.26 -5.00 105.19 114.32 2jf4 n GLY 87 Ca 0.14 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2jf4 n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jf4 s PHE 88 N -2.28 3.03 -0.33 1.61 2.19 -1.11 -5.00 117.98 116.09 2jf4 s PHE 88 Ca 0.00 0.58 -0.05 0.00 0.33 0.00 0.00 56.93 57.79 2jf4 s PHE 88 Cb 0.00 -3.97 0.05 0.00 -1.31 0.00 0.00 43.02 37.79 2jf4 s PHE 88 CO 0.00 -3.59 0.07 0.34 1.83 0.00 0.00 175.22 173.87 2jf4 s ASP 89 N 1.13 5.17 0.15 6.13 2.15 -1.26 -5.00 116.67 125.14 2jf4 s ASP 89 Ca 0.71 -1.23 -0.17 0.00 0.43 0.00 0.00 52.55 52.28 2jf4 s ASP 89 Cb -0.45 -1.81 0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2jf4 s ASP 89 CO 0.32 -0.32 1.74 0.25 -0.17 0.00 0.00 175.17 176.99 2jf4 h LEU 90 N 8.14 0.06 -0.64 -1.34 5.85 -1.98 -1.61 115.31 123.78 2jf4 h LEU 90 Ca -0.22 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2jf4 h LEU 90 Cb 1.07 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 2jf4 h LEU 90 CO 0.58 0.07 0.35 -0.09 -0.34 0.00 0.00 178.44 179.01 2jf4 h ARG 91 N 0.20 0.63 -0.57 1.25 2.43 -1.99 -0.64 114.38 115.69 2jf4 h ARG 91 Ca 0.14 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2jf4 h ARG 91 Cb 0.14 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2jf4 h ARG 91 CO -0.17 0.42 0.10 1.25 -1.51 0.00 0.00 179.97 180.06 2jf4 h HIS 92 N 0.65 0.99 -0.92 2.20 2.76 -1.91 -1.48 115.15 117.44 2jf4 h HIS 92 Ca 0.29 -0.13 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 2jf4 h HIS 92 Cb 0.19 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 28.82 2jf4 h HIS 92 CO -0.09 0.87 0.60 0.35 -1.30 0.00 0.00 177.93 178.36 2jf4 h PHE 93 N 0.84 1.07 -0.31 5.26 3.57 -0.50 -2.32 116.94 124.55 2jf4 h PHE 93 Ca 0.17 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 2jf4 h PHE 93 Cb 0.40 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2jf4 h PHE 93 CO 0.03 0.56 -0.27 0.28 -2.23 0.00 0.00 178.31 176.68 2jf4 h VAL 94 N 1.06 1.30 -0.33 1.41 2.07 -0.81 -2.30 116.25 118.63 2jf4 h VAL 94 Ca 0.40 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2jf4 h VAL 94 Cb 0.19 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2jf4 h VAL 94 CO -0.15 0.46 0.08 0.78 0.02 0.00 0.00 177.57 178.77 2jf4 h ASN 95 N 0.49 0.44 0.65 0.57 2.35 -0.93 -1.25 115.58 117.89 2jf4 h ASN 95 Ca 0.05 -0.05 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2jf4 h ASN 95 Cb 0.84 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 2jf4 h ASN 95 CO 0.07 0.44 -1.11 0.58 -1.65 0.00 0.00 177.43 175.77 2jf4 h VAL 96 N 0.48 1.52 -0.01 2.81 2.07 -1.46 -3.36 116.25 118.30 2jf4 h VAL 96 Ca 0.11 -2.97 0.00 0.00 0.82 0.00 0.00 66.70 64.66 2jf4 h VAL 96 Cb 0.18 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2jf4 h VAL 96 CO -0.00 0.87 -0.67 0.59 0.02 0.00 0.00 177.57 178.38 2jf4 n ASN 97 N -3.55 1.48 -3.92 0.57 3.02 -0.87 -4.91 115.26 107.07 2jf4 n ASN 97 Ca -0.06 -1.24 -0.12 0.00 -0.03 0.00 0.00 54.58 53.13 2jf4 n ASN 97 Cb 0.95 0.72 -0.13 0.00 -0.61 0.00 0.00 39.78 40.71 2jf4 n ASN 97 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jf4 s PHE 98 N -2.58 0.17 -0.26 3.10 0.08 -0.50 0.07 117.98 118.07 2jf4 s PHE 98 Ca 0.13 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 2jf4 s PHE 98 Cb 0.16 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.45 2jf4 s PHE 98 CO 0.66 -0.06 0.31 0.99 -0.10 0.00 0.00 175.22 177.02 2jf4 s THR 99 N -0.48 5.23 0.25 0.64 2.01 0.56 -4.69 115.64 119.16 2jf4 s THR 99 Ca -0.05 0.45 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 2jf4 s THR 99 Cb -0.03 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 2jf4 s THR 99 CO -0.00 0.21 0.48 -0.76 -0.69 0.00 0.00 174.62 173.86 2jf4 s LEU 100 N 1.79 4.14 0.00 4.42 1.43 -1.26 -0.34 118.68 128.86 2jf4 s LEU 100 Ca 0.13 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2jf4 s LEU 100 Cb -0.15 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2jf4 s LEU 100 CO 0.09 -0.12 0.00 -0.81 0.23 0.00 0.00 176.35 175.74 2jf4 n PRO 101 N -0.79 1.08 0.00 1.29 -0.04 -1.26 -4.97 135.00 130.32 2jf4 n PRO 101 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2jf4 n PRO 101 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2jf4 n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jf4 n GLN 113 N 0.00 0.00 -1.54 0.54 10.64 -1.26 -5.14 117.38 120.62 2jf4 n GLN 113 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 2jf4 n GLN 113 Cb 0.00 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 29.48 2jf4 n GLN 113 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2jf4 s SER 114 N -0.69 4.39 0.21 2.61 1.04 -1.26 -4.83 113.70 115.17 2jf4 s SER 114 Ca 0.00 1.30 -0.09 0.00 0.48 0.00 0.00 55.95 57.64 2jf4 s SER 114 Cb 0.00 -2.02 0.30 0.00 0.10 0.00 0.00 66.02 64.40 2jf4 s SER 114 CO 0.00 -2.03 1.74 0.25 0.98 0.00 0.00 173.24 174.18 2jf4 h LEU 115 N -1.13 0.25 -0.43 2.42 5.85 -1.92 -0.85 115.31 119.50 2jf4 h LEU 115 Ca -0.47 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2jf4 h LEU 115 Cb 1.27 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2jf4 h LEU 115 CO 0.59 0.14 0.14 -0.09 -0.34 0.00 0.00 178.44 178.88 2jf4 h ARG 116 N 0.43 0.65 -0.75 1.25 2.43 -1.69 -2.10 114.38 114.60 2jf4 h ARG 116 Ca 0.32 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2jf4 h ARG 116 Cb 0.41 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2jf4 h ARG 116 CO -0.32 0.63 0.23 0.93 -1.51 0.00 0.00 179.97 179.93 2jf4 h GLU 117 N 0.55 1.17 -0.30 0.20 5.08 -1.76 -2.28 114.58 117.23 2jf4 h GLU 117 Ca 0.14 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2jf4 h GLU 117 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2jf4 h GLU 117 CO -0.01 0.99 0.14 1.25 -1.00 0.00 0.00 179.01 180.38 2jf4 h HIS 118 N 1.12 0.45 -0.30 4.33 2.76 -0.93 -1.69 115.15 120.88 2jf4 h HIS 118 Ca 0.24 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2jf4 h HIS 118 Cb 0.32 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 2jf4 h HIS 118 CO 0.03 0.41 0.18 0.82 -1.30 0.00 0.00 177.93 178.07 2jf4 h ILE 119 N 0.35 1.10 -0.67 6.26 2.04 -1.31 -1.96 117.51 123.33 2jf4 h ILE 119 Ca 0.10 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2jf4 h ILE 119 Cb 0.14 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2jf4 h ILE 119 CO -0.01 0.10 0.27 -0.78 0.00 0.00 0.00 178.15 177.73 2jf4 h ASP 120 N 0.38 0.91 1.11 1.72 3.58 -1.27 -1.77 116.42 121.08 2jf4 h ASP 120 Ca 0.11 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2jf4 h ASP 120 Cb 0.01 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.83 2jf4 h ASP 120 CO -0.02 0.81 0.00 1.23 -2.88 0.00 0.00 179.24 178.38 2jf4 h GLY 121 N 1.05 0.00 1.90 -0.78 0.00 -1.19 -3.19 103.07 100.86 2jf4 h GLY 121 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.37 2jf4 h GLY 121 CO -0.02 0.00 -0.85 1.41 0.00 0.00 0.00 176.54 177.08 2jf4 h LEU 122 N 0.00 0.12 -0.65 3.11 3.38 -0.52 -3.37 115.31 117.37 2jf4 h LEU 122 Ca 0.00 -0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.01 2jf4 h LEU 122 Cb 0.56 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.16 2jf4 h LEU 122 CO 0.00 0.91 -0.05 -0.50 0.09 0.00 0.00 178.44 178.89 2jf4 h TRP 123 N 0.05 -0.14 -0.73 1.13 -0.00 -1.53 0.58 115.95 115.30 2jf4 h TRP 123 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2jf4 h TRP 123 Cb 1.49 0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 30.78 2jf4 h TRP 123 CO 0.01 -0.22 0.47 -1.35 -0.00 0.00 0.00 178.44 177.36 2jf4 h PRO 124 N 0.07 0.97 -0.17 0.49 0.11 -1.81 -1.87 132.00 129.80 2jf4 h PRO 124 Ca 0.34 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 2jf4 h PRO 124 Cb 0.55 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2jf4 h PRO 124 CO -0.60 0.66 -0.22 0.28 -0.21 0.00 0.00 178.00 177.90 2jf4 h VAL 125 N 1.00 1.23 -0.01 3.15 2.07 -1.12 -2.84 116.25 119.73 2jf4 h VAL 125 Ca 0.27 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2jf4 h VAL 125 Cb -0.09 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2jf4 h VAL 125 CO -0.06 0.33 -0.27 0.18 0.02 0.00 0.00 177.57 177.78 2jf4 n LEU 126 N -4.17 1.13 -4.73 2.57 4.77 -0.49 -4.90 117.00 111.17 2jf4 n LEU 126 Ca -0.01 -0.32 -0.39 0.00 -0.03 0.00 0.00 56.01 55.27 2jf4 n LEU 126 Cb 0.35 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2jf4 n LEU 126 CO 0.40 0.21 0.33 -0.89 -1.33 0.00 0.00 177.39 176.11 2jf4 s THR 127 N -2.48 5.01 0.10 -5.08 2.01 -0.73 -0.42 115.64 114.04 2jf4 s THR 127 Ca 0.24 1.30 0.09 0.00 0.31 0.00 0.00 61.69 63.63 2jf4 s THR 127 Cb 0.19 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2jf4 s THR 127 CO 0.52 0.33 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.41 2jf4 s ARG 128 N 0.39 1.29 -0.21 4.92 1.81 0.57 -4.97 118.95 122.76 2jf4 s ARG 128 Ca 0.33 -1.20 -0.02 0.00 -1.72 0.00 0.00 55.73 53.12 2jf4 s ARG 128 Cb -0.18 -1.61 0.06 0.00 -0.45 0.00 0.00 34.95 32.77 2jf4 s ARG 128 CO 0.17 0.39 0.01 0.45 -0.68 0.00 0.00 175.30 175.63 2jf4 s SER 129 N -1.84 3.20 -0.47 0.23 0.15 -1.26 -0.88 113.70 112.83 2jf4 s SER 129 Ca 0.09 -0.93 0.07 0.00 0.70 0.00 0.00 55.95 55.88 2jf4 s SER 129 Cb -0.10 -0.78 0.23 0.00 -1.71 0.00 0.00 66.02 63.67 2jf4 s SER 129 CO 0.04 -0.28 0.54 0.35 1.20 0.00 0.00 173.24 175.09 2jf4 n THR 130 N 4.93 0.02 0.05 6.45 -2.24 -1.26 -4.92 114.28 117.31 2jf4 n THR 130 Ca -0.10 -4.23 -0.05 0.00 -2.27 0.00 0.00 64.05 57.40 2jf4 n THR 130 Cb 0.46 -1.95 0.15 0.00 -2.10 0.00 0.00 70.33 66.89 2jf4 n THR 130 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jf4 h GLU 131 N 4.40 0.38 -6.28 -0.78 5.08 -1.88 -1.86 114.58 113.63 2jf4 h GLU 131 Ca 0.14 -0.20 -0.60 0.00 -1.00 0.00 0.00 59.36 57.69 2jf4 h GLU 131 Cb 0.83 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.92 2jf4 h GLU 131 CO 0.54 0.76 -0.79 -0.80 -1.00 0.00 0.00 179.01 177.73 2jf4 s ASN 132 N -6.88 3.25 0.02 1.42 0.01 -1.26 -4.52 114.94 106.98 2jf4 s ASN 132 Ca -0.06 -0.92 0.01 0.00 -0.71 0.00 0.00 52.86 51.18 2jf4 s ASN 132 Cb 0.13 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 2jf4 s ASN 132 CO 0.80 0.04 -0.04 0.28 -1.51 0.00 0.00 177.10 176.67 2jf4 s THR 133 N -2.07 0.27 0.85 1.60 -1.32 -1.26 -4.96 115.64 108.75 2jf4 s THR 133 Ca 0.22 -0.75 -0.13 0.00 -1.21 0.00 0.00 61.69 59.82 2jf4 s THR 133 Cb -0.06 -0.35 0.07 0.00 -1.51 0.00 0.00 72.50 70.65 2jf4 s THR 133 CO 0.10 -0.32 0.91 -1.84 -2.21 0.00 0.00 174.62 171.26 2jf4 n GLU 134 N 1.93 -0.04 -2.00 7.08 0.00 -1.26 -4.93 120.64 121.43 2jf4 n GLU 134 Ca -0.21 0.06 -0.41 0.00 0.00 0.00 0.00 57.16 56.60 2jf4 n GLU 134 Cb 0.56 -2.20 -0.02 0.00 0.00 0.00 0.00 31.44 29.77 2jf4 n GLU 134 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2jf4 s LYS 135 N -3.90 4.26 0.00 3.44 1.02 -1.26 -3.02 119.74 120.28 2jf4 s LYS 135 Ca 0.67 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.97 2jf4 s LYS 135 Cb -0.27 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 2jf4 s LYS 135 CO 0.57 -0.46 0.00 0.91 -0.92 0.00 0.00 175.35 175.46 2jf4 n TRP 136 N 2.64 0.00 -2.05 3.18 7.02 -1.26 -4.68 117.44 122.29 2jf4 n TRP 136 Ca 0.08 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.17 2jf4 n TRP 136 Cb 0.40 -0.55 -0.00 0.00 -2.42 0.00 0.00 31.31 28.74 2jf4 n TRP 136 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2jf4 s ASP 137 N -2.14 6.26 0.40 -0.99 -1.08 -1.17 -4.45 116.67 113.51 2jf4 s ASP 137 Ca 0.00 2.65 0.22 0.00 -0.52 0.00 0.00 52.55 54.90 2jf4 s ASP 137 Cb 0.00 -2.64 0.63 0.00 -1.46 0.00 0.00 42.92 39.45 2jf4 s ASP 137 CO 0.00 -0.88 1.70 0.77 0.52 0.00 0.00 175.17 177.28 2jf4 h SER 138 N 2.61 0.00 -2.82 -0.34 4.64 -1.83 -3.45 113.55 112.36 2jf4 h SER 138 Ca -0.50 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 2jf4 h SER 138 Cb 1.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.37 2jf4 h SER 138 CO 0.62 0.25 0.88 -0.22 -0.87 0.00 0.00 176.83 177.50 2jf4 s LEU 139 N -6.57 4.37 -0.06 5.97 2.96 -1.26 -0.45 118.68 123.64 2jf4 s LEU 139 Ca 0.02 2.52 -0.14 0.00 -0.22 0.00 0.00 54.13 56.32 2jf4 s LEU 139 Cb 0.09 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 2jf4 s LEU 139 CO 0.66 -0.81 0.36 -0.76 -1.32 0.00 0.00 176.35 174.48 2jf4 s LEU 140 N 1.55 4.40 0.50 -0.68 1.43 0.15 -4.92 118.68 121.11 2jf4 s LEU 140 Ca 0.70 0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 54.39 2jf4 s LEU 140 Cb -0.41 -2.49 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 2jf4 s LEU 140 CO 0.31 0.26 1.11 -2.16 0.23 0.00 0.00 176.35 176.10 2jf4 s PRO 141 N -0.62 3.61 0.00 1.29 0.04 -1.26 -4.88 135.00 133.19 2jf4 s PRO 141 Ca 0.21 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.86 2jf4 s PRO 141 Cb -0.15 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2jf4 s PRO 141 CO 0.10 -0.63 -0.09 -0.51 0.04 0.00 0.00 177.00 175.91 2jf4 s LEU 142 N -3.46 2.06 0.48 -3.56 1.43 -0.70 -5.01 118.68 109.91 2jf4 s LEU 142 Ca 0.68 -0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.74 2jf4 s LEU 142 Cb -0.23 -0.44 1.18 0.00 0.03 0.00 0.00 46.19 46.73 2jf4 s LEU 142 CO 0.27 0.07 2.02 1.55 0.23 0.00 0.00 176.35 180.49 2jf4 h PRO 143 N 5.66 0.00 -5.59 1.29 0.13 -1.89 -3.22 132.00 128.38 2jf4 h PRO 143 Ca -0.32 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.35 2jf4 h PRO 143 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2jf4 h PRO 143 CO 0.48 0.16 -0.73 -1.21 -0.23 0.00 0.00 178.00 176.47 2jf4 s GLU 144 N -4.47 1.36 0.63 0.86 0.41 -1.26 -4.84 118.70 111.39 2jf4 s GLU 144 Ca -0.04 -1.61 -0.18 0.00 -0.41 0.00 0.00 54.97 52.73 2jf4 s GLU 144 Cb 0.15 -1.15 -0.02 0.00 -1.78 0.00 0.00 34.13 31.33 2jf4 s GLU 144 CO 0.65 0.18 1.23 -2.30 -0.49 0.00 0.00 175.26 174.54 2jf4 n PRO 145 N -0.40 1.10 -3.92 0.39 -0.02 -1.26 -4.70 135.00 126.19 2jf4 n PRO 145 Ca -0.08 0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 2jf4 n PRO 145 Cb 0.60 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 2jf4 n PRO 145 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2jf4 s TYR 146 N -1.40 0.22 -0.17 6.00 -0.85 -0.06 -4.93 117.35 116.16 2jf4 s TYR 146 Ca 0.81 -0.59 -0.09 0.00 -0.52 0.00 0.00 57.07 56.67 2jf4 s TYR 146 Cb -0.39 -0.14 -0.05 0.00 0.38 0.00 0.00 41.96 41.76 2jf4 s TYR 146 CO 0.42 -0.44 0.14 0.08 -1.52 0.00 0.00 175.55 174.24 2jf4 s VAL 147 N -3.25 5.43 0.22 -3.49 1.01 -1.26 -0.32 120.40 118.75 2jf4 s VAL 147 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2jf4 s VAL 147 Cb 0.02 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2jf4 s VAL 147 CO -0.08 0.50 0.25 0.68 0.00 0.00 0.00 175.10 176.45 2jf4 s VAL 148 N -0.11 4.83 0.13 2.92 -7.23 0.43 -4.63 120.40 116.74 2jf4 s VAL 148 Ca 0.11 -1.12 -0.17 0.00 -1.81 0.00 0.00 61.98 58.99 2jf4 s VAL 148 Cb -0.11 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 2jf4 s VAL 148 CO 0.00 -0.27 1.71 -0.65 -0.31 0.00 0.00 175.10 175.59 2jf4 h PRO 149 N 1.64 0.53 0.00 4.82 0.11 -1.75 -3.40 132.00 133.95 2jf4 h PRO 149 Ca -0.49 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2jf4 h PRO 149 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jf4 h PRO 149 CO 0.62 0.47 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 2jf4 n GLY 150 N -0.87 3.30 7.00 -0.55 0.00 -1.14 -1.47 105.19 111.46 2jf4 n GLY 150 Ca -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2jf4 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf4 n GLY 151 N -1.56 3.17 0.14 -0.02 0.00 -1.22 -1.83 105.19 103.88 2jf4 n GLY 151 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2jf4 n GLY 151 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jf4 n ARG 152 N 13.76 0.19 -2.87 1.61 1.85 -1.26 -4.27 116.66 125.67 2jf4 n ARG 152 Ca 0.00 0.48 -0.43 0.00 -1.00 0.00 0.00 57.85 56.89 2jf4 n ARG 152 Cb 0.00 -1.91 -0.02 0.00 -1.05 0.00 0.00 32.46 29.48 2jf4 n ARG 152 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2jf4 s PHE 153 N -3.38 3.07 -0.54 2.89 0.08 -0.76 -4.84 117.98 114.49 2jf4 s PHE 153 Ca 0.03 -1.38 0.01 0.00 0.12 0.00 0.00 56.93 55.70 2jf4 s PHE 153 Cb 0.09 -4.35 0.45 0.00 -0.57 0.00 0.00 43.02 38.64 2jf4 s PHE 153 CO 0.36 -1.55 1.75 2.89 -0.10 0.00 0.00 175.22 178.57 2jf4 n ARG 154 N 6.82 2.99 -3.75 0.44 1.85 -1.26 -2.90 116.66 120.86 2jf4 n ARG 154 Ca 0.27 -3.58 -0.10 0.00 -1.00 0.00 0.00 57.85 53.44 2jf4 n ARG 154 Cb 0.49 -2.28 -0.05 0.00 -1.05 0.00 0.00 32.46 29.56 2jf4 n ARG 154 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2jf4 s GLU 155 N -3.75 1.18 0.34 2.89 1.03 -1.26 -5.07 118.70 114.06 2jf4 s GLU 155 Ca 0.60 -0.87 -0.27 0.00 0.03 0.00 0.00 54.97 54.46 2jf4 s GLU 155 Cb 0.48 0.46 -0.09 0.00 -0.80 0.00 0.00 34.13 34.17 2jf4 s GLU 155 CO 0.01 -0.47 1.14 0.54 -1.33 0.00 0.00 175.26 175.15 2jf4 s VAL 156 N -3.86 3.30 0.08 1.83 0.11 -1.26 -4.31 120.40 116.28 2jf4 s VAL 156 Ca 0.08 1.21 0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2jf4 s VAL 156 Cb 0.01 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 2jf4 s VAL 156 CO -0.06 0.21 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.48 2jf4 s TYR 157 N -1.29 2.70 0.00 1.54 1.51 -1.26 -2.83 117.35 117.72 2jf4 s TYR 157 Ca 0.50 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.39 2jf4 s TYR 157 Cb -0.32 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2jf4 s TYR 157 CO 0.40 0.38 0.71 0.98 -1.11 0.00 0.00 175.55 176.91 2jf4 n TYR 158 N 1.01 0.00 0.07 2.71 9.36 -0.97 -2.87 117.16 126.48 2jf4 n TYR 158 Ca -0.15 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.04 2jf4 n TYR 158 Cb 0.52 -0.48 0.18 0.00 -0.63 0.00 0.00 39.34 38.94 2jf4 n TYR 158 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 2jf4 h TRP 159 N 0.00 0.36 -0.83 2.98 5.08 -1.87 -2.74 115.95 118.93 2jf4 h TRP 159 Ca 0.00 -0.10 0.18 0.00 1.08 0.00 0.00 58.89 60.05 2jf4 h TRP 159 Cb 0.00 -0.08 -0.11 0.00 -3.00 0.00 0.00 29.16 25.97 2jf4 h TRP 159 CO 0.16 0.70 0.34 -0.44 -1.28 0.00 0.00 178.44 177.91 2jf4 h ASP 160 N 0.25 0.28 0.18 0.11 3.45 -1.96 -2.70 116.42 116.02 2jf4 h ASP 160 Ca 0.02 0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.58 2jf4 h ASP 160 Cb 0.88 0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.77 2jf4 h ASP 160 CO 0.07 0.04 -0.15 0.28 -1.57 0.00 0.00 179.24 177.91 2jf4 h SER 161 N 0.41 0.00 -0.20 6.45 0.02 -1.34 -1.57 113.55 117.33 2jf4 h SER 161 Ca 0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.43 2jf4 h SER 161 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2jf4 h SER 161 CO -0.48 0.15 0.06 0.22 -1.14 0.00 0.00 176.83 175.64 2jf4 h TYR 162 N 0.00 0.33 -0.19 3.45 3.20 -1.57 -3.17 116.97 119.02 2jf4 h TYR 162 Ca -0.00 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 2jf4 h TYR 162 Cb 0.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2jf4 h TYR 162 CO 0.00 0.40 -0.45 0.74 -1.64 0.00 0.00 178.16 177.21 2jf4 h PHE 163 N 0.16 0.56 0.00 -3.82 0.04 -1.58 -1.54 116.94 110.76 2jf4 h PHE 163 Ca 0.07 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2jf4 h PHE 163 Cb 0.23 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2jf4 h PHE 163 CO 0.00 0.84 0.00 2.41 -0.60 0.00 0.00 178.31 180.96 2jf4 n THR 164 N -4.00 0.07 0.00 -1.55 -1.04 -0.62 -3.24 114.28 103.90 2jf4 n THR 164 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2jf4 n THR 164 Cb 0.54 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2jf4 n THR 164 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jf4 n LEU 166 N 0.73 0.00 -0.04 -4.42 4.77 -0.58 -1.62 117.00 115.84 2jf4 n LEU 166 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2jf4 n LEU 166 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2jf4 n LEU 166 CO 0.00 0.00 0.56 1.23 -1.33 0.00 0.00 177.39 177.85 2jf4 h GLY 167 N 0.00 0.28 0.67 -0.72 0.00 -1.60 -2.29 103.07 99.41 2jf4 h GLY 167 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.04 2jf4 h GLY 167 CO 0.00 0.29 0.08 1.41 0.00 0.00 0.00 176.54 178.33 2jf4 h LEU 168 N -0.19 0.06 -1.10 3.11 3.38 -1.63 -1.42 115.31 117.51 2jf4 h LEU 168 Ca 0.01 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2jf4 h LEU 168 Cb 0.73 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2jf4 h LEU 168 CO 0.03 0.07 0.61 0.00 0.09 0.00 0.00 178.44 179.24 2jf4 h ALA 169 N 1.22 1.43 -0.11 1.53 0.00 -1.78 -0.10 119.26 121.46 2jf4 h ALA 169 Ca 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2jf4 h ALA 169 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jf4 h ALA 169 CO -0.18 0.45 -0.47 1.49 0.00 0.00 0.00 179.25 180.54 2jf4 h GLU 170 N 1.13 0.28 -0.04 0.00 4.57 -0.86 -2.50 114.58 117.16 2jf4 h GLU 170 Ca 0.39 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2jf4 h GLU 170 Cb 0.09 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2jf4 h GLU 170 CO -0.13 0.70 0.00 0.43 -1.18 0.00 0.00 179.01 178.83 2jf4 n SER 171 N -3.98 0.70 -0.09 1.04 7.64 -0.59 -4.92 113.62 113.43 2jf4 n SER 171 Ca -0.02 -1.39 -0.01 0.00 1.01 0.00 0.00 58.87 58.46 2jf4 n SER 171 Cb 0.53 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2jf4 n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jf4 n GLY 172 N 1.01 0.47 2.28 0.23 0.00 -0.94 -4.92 105.19 103.31 2jf4 n GLY 172 Ca 0.18 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jf4 n GLY 172 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jf4 n HIS 173 N -2.78 1.89 0.26 1.61 8.25 -0.10 -4.61 115.22 119.74 2jf4 n HIS 173 Ca -0.01 -2.65 0.12 0.00 -0.26 0.00 0.00 57.72 54.92 2jf4 n HIS 173 Cb 0.13 -2.14 0.68 0.00 1.12 0.00 0.00 29.99 29.79 2jf4 n HIS 173 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2jf4 h TRP 174 N 4.39 0.00 -0.62 4.41 4.06 -1.88 -2.62 115.95 123.70 2jf4 h TRP 174 Ca 0.68 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.57 2jf4 h TRP 174 Cb 0.57 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.71 2jf4 h TRP 174 CO 1.80 0.14 0.17 0.38 -3.56 0.00 0.00 178.44 177.37 2jf4 h ASP 175 N 0.00 0.93 -0.09 -3.49 2.03 -1.96 0.55 116.42 114.39 2jf4 h ASP 175 Ca -0.00 -0.22 -0.14 0.00 -0.73 0.00 0.00 57.03 55.93 2jf4 h ASP 175 Cb 0.41 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 2jf4 h ASP 175 CO 0.02 0.90 -0.44 0.11 -1.03 0.00 0.00 179.24 178.80 2jf4 h LYS 176 N 0.90 0.63 -0.09 4.15 6.56 -1.87 -1.42 116.57 125.44 2jf4 h LYS 176 Ca 0.20 -0.34 -0.00 0.00 -1.06 0.00 0.00 60.65 59.44 2jf4 h LYS 176 Cb 0.33 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2jf4 h LYS 176 CO -0.00 0.94 0.05 0.28 -2.06 0.00 0.00 179.45 178.66 2jf4 h VAL 177 N 0.51 1.10 -0.79 0.50 2.07 -1.18 -2.87 116.25 115.58 2jf4 h VAL 177 Ca 0.04 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.38 2jf4 h VAL 177 Cb 0.97 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 2jf4 h VAL 177 CO 0.09 0.09 0.41 0.00 0.02 0.00 0.00 177.57 178.17 2jf4 h ALA 178 N 0.93 1.14 0.00 1.67 0.00 -0.80 -2.04 119.26 120.17 2jf4 h ALA 178 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jf4 h ALA 178 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jf4 h ALA 178 CO -0.00 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.96 2jf4 n ASP 179 N -4.85 0.05 0.00 0.00 8.00 -0.54 -1.65 116.55 117.56 2jf4 n ASP 179 Ca 0.14 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2jf4 n ASP 179 Cb 0.34 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2jf4 n ASP 179 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jf4 n VAL 181 N 0.47 0.00 -0.25 2.53 0.31 -0.77 -1.28 118.33 119.35 2jf4 n VAL 181 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2jf4 n VAL 181 Cb 0.01 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.00 2jf4 n VAL 181 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jf4 h ALA 182 N 0.00 0.88 -0.42 3.52 0.00 -1.58 -0.29 119.26 121.37 2jf4 h ALA 182 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jf4 h ALA 182 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2jf4 h ALA 182 CO 0.00 0.27 0.19 -0.91 0.00 0.00 0.00 179.25 178.81 2jf4 h ASN 183 N 0.91 0.26 -0.39 0.00 2.35 -1.46 -1.38 115.58 115.88 2jf4 h ASN 183 Ca 0.26 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 2jf4 h ASN 183 Cb -0.08 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2jf4 h ASN 183 CO -0.07 0.19 -0.22 -0.26 -1.65 0.00 0.00 177.43 175.42 2jf4 h PHE 184 N 0.39 1.03 -0.76 1.19 0.04 -1.77 -2.22 116.94 114.83 2jf4 h PHE 184 Ca 0.18 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.74 2jf4 h PHE 184 Cb 0.11 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 2jf4 h PHE 184 CO -0.11 1.03 0.49 0.00 -0.60 0.00 0.00 178.31 179.11 2jf4 h ALA 185 N 0.96 1.00 -0.83 2.45 0.00 -0.93 -1.44 119.26 120.47 2jf4 h ALA 185 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jf4 h ALA 185 Cb 0.77 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2jf4 h ALA 185 CO 0.06 0.30 0.55 1.25 0.00 0.00 0.00 179.25 181.41 2jf4 h HIS 186 N 0.96 1.04 -0.48 0.00 -0.00 -1.08 -1.43 115.15 114.16 2jf4 h HIS 186 Ca 0.30 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.58 2jf4 h HIS 186 Cb -0.00 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.04 2jf4 h HIS 186 CO -0.03 0.65 -0.18 0.93 -0.00 0.00 0.00 177.93 179.31 2jf4 h GLU 187 N 1.12 0.96 -0.27 5.26 5.08 -1.07 -0.26 114.58 125.40 2jf4 h GLU 187 Ca 0.31 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2jf4 h GLU 187 Cb -0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2jf4 h GLU 187 CO -0.07 1.07 0.08 0.82 -1.00 0.00 0.00 179.01 179.91 2jf4 h ILE 188 N 0.81 0.91 -0.24 3.13 2.04 -1.01 0.32 117.51 123.47 2jf4 h ILE 188 Ca 0.11 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 2jf4 h ILE 188 Cb 0.75 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2jf4 h ILE 188 CO 0.06 0.04 -0.30 0.44 0.00 0.00 0.00 178.15 178.38 2jf4 h ASP 189 N 0.20 0.49 0.14 1.72 3.32 -1.15 0.99 116.42 122.12 2jf4 h ASP 189 Ca 0.12 -0.18 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 2jf4 h ASP 189 Cb 0.10 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.54 2jf4 h ASP 189 CO -0.14 0.77 -0.84 0.74 -1.72 0.00 0.00 179.24 178.06 2jf4 h THR 190 N 0.42 1.50 0.00 0.35 2.02 -0.74 -3.39 112.91 113.07 2jf4 h THR 190 Ca 0.05 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2jf4 h THR 190 Cb 0.74 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2jf4 h THR 190 CO 0.06 0.72 -0.76 -1.22 0.37 0.00 0.00 175.52 174.69 2jf4 n TYR 191 N -4.11 0.00 -0.22 3.16 4.01 0.11 -4.98 117.16 115.13 2jf4 n TYR 191 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2jf4 n TYR 191 Cb 0.83 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 2jf4 n TYR 191 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jf4 n GLY 192 N 1.37 1.23 3.79 2.72 0.00 0.34 -4.99 105.19 109.65 2jf4 n GLY 192 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2jf4 n GLY 192 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jf4 s HIS 193 N -2.75 -0.03 -0.37 1.61 -3.43 -1.23 -4.62 115.29 104.47 2jf4 s HIS 193 Ca 0.00 -0.27 -0.21 0.00 -0.80 0.00 0.00 55.06 53.78 2jf4 s HIS 193 Cb 0.00 0.65 0.01 0.00 -1.43 0.00 0.00 32.58 31.80 2jf4 s HIS 193 CO 0.00 -0.76 0.66 0.42 -2.00 0.00 0.00 174.74 173.07 2jf4 s ILE 194 N -2.69 4.85 0.79 -5.38 1.01 -1.26 -3.83 121.20 114.69 2jf4 s ILE 194 Ca 0.17 0.58 -0.10 0.00 0.00 0.00 0.00 60.65 61.29 2jf4 s ILE 194 Cb -0.01 -4.12 0.07 0.00 0.01 0.00 0.00 42.46 38.41 2jf4 s ILE 194 CO 0.02 -0.37 1.10 -2.16 0.00 0.00 0.00 174.94 173.53 2jf4 s PRO 195 N 2.80 2.10 0.33 2.79 0.04 -1.26 -4.23 135.00 137.57 2jf4 s PRO 195 Ca 0.25 1.21 0.11 0.00 0.04 0.00 0.00 61.00 62.61 2jf4 s PRO 195 Cb -0.14 -1.88 1.02 0.00 0.04 0.00 0.00 34.50 33.54 2jf4 s PRO 195 CO 0.16 -1.77 1.62 -0.97 0.04 0.00 0.00 177.00 176.08 2jf4 h ASN 196 N -1.22 0.20 -5.05 6.66 -0.73 -1.42 -3.40 115.58 110.61 2jf4 h ASN 196 Ca -0.44 0.22 -0.02 0.00 1.87 0.00 0.00 56.30 57.93 2jf4 h ASN 196 Cb 1.24 0.25 -0.02 0.00 0.27 0.00 0.00 38.32 40.06 2jf4 h ASN 196 CO 0.50 -0.25 0.21 -0.83 -0.37 0.00 0.00 177.43 176.69 2jf4 s GLY 197 N -4.23 0.38 -1.55 1.57 0.00 -1.26 -2.28 107.32 99.94 2jf4 s GLY 197 Ca -0.11 -0.73 -0.10 0.00 0.00 0.00 0.00 44.72 43.78 2jf4 s GLY 197 CO 0.78 -0.34 2.75 1.16 0.00 0.00 0.00 173.10 177.45 2jf4 n ASN 198 N -1.18 7.82 -4.10 1.64 6.94 -1.13 -4.71 115.26 120.54 2jf4 n ASN 198 Ca -0.06 -2.70 -0.17 0.00 -0.02 0.00 0.00 54.58 51.62 2jf4 n ASN 198 Cb 0.60 -1.55 -0.12 0.00 -2.36 0.00 0.00 39.78 36.35 2jf4 n ASN 198 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jf4 s ARG 199 N 1.85 0.72 0.56 -3.83 1.81 -1.26 -0.68 118.95 118.12 2jf4 s ARG 199 Ca 0.63 -0.74 0.27 0.00 -1.72 0.00 0.00 55.73 54.17 2jf4 s ARG 199 Cb 0.17 -0.65 1.62 0.00 -0.45 0.00 0.00 34.95 35.65 2jf4 s ARG 199 CO -0.07 0.15 2.18 0.66 -0.68 0.00 0.00 175.30 177.54 2jf4 h SER 200 N 4.76 0.00 -0.22 0.23 4.64 -1.09 -1.62 113.55 120.26 2jf4 h SER 200 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2jf4 h SER 200 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2jf4 h SER 200 CO 0.43 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 2jf4 n TYR 201 N -3.86 0.29 0.28 4.77 0.18 -1.26 -3.11 117.16 114.44 2jf4 n TYR 201 Ca -0.03 -0.15 0.03 0.00 1.88 0.00 0.00 57.90 59.64 2jf4 n TYR 201 Cb 0.14 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.12 2jf4 n TYR 201 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2jf4 n TYR 202 N 0.19 0.00 0.24 -3.48 4.01 -0.61 -4.73 117.16 112.78 2jf4 n TYR 202 Ca 0.11 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.96 2jf4 n TYR 202 Cb 0.23 0.00 0.60 0.00 -0.31 0.00 0.00 39.34 39.86 2jf4 n TYR 202 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2jf4 h LEU 203 N 1.13 0.00 -0.31 7.72 3.38 -1.58 -3.00 115.31 122.65 2jf4 h LEU 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jf4 h LEU 203 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jf4 h LEU 203 CO 0.00 0.17 -0.00 -1.54 0.09 0.00 0.00 178.44 177.16 2jf4 n SER 204 N -3.50 0.49 -3.88 -0.43 3.41 -1.26 -4.89 113.62 103.56 2jf4 n SER 204 Ca -0.01 -1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 57.33 2jf4 n SER 204 Cb 0.33 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 2jf4 n SER 204 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jf4 s ARG 205 N -2.01 1.50 0.00 4.33 1.70 -1.14 -1.33 118.95 122.00 2jf4 s ARG 205 Ca 0.44 -1.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.15 2jf4 s ARG 205 Cb 0.22 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 2jf4 s ARG 205 CO 0.36 -0.57 0.00 0.45 -1.08 0.00 0.00 175.30 174.46 2jf4 n SER 206 N -0.63 0.00 -3.02 -2.89 2.88 -1.26 -2.54 113.62 106.16 2jf4 n SER 206 Ca 0.01 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.45 2jf4 n SER 206 Cb 0.63 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.10 2jf4 n SER 206 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jf4 s GLN 207 N 4.31 2.15 -0.02 -1.46 -0.21 -1.25 -3.50 119.66 119.68 2jf4 s GLN 207 Ca 0.00 -1.53 -0.37 0.00 0.02 0.00 0.00 55.36 53.48 2jf4 s GLN 207 Cb 0.00 0.58 -0.15 0.00 1.00 0.00 0.00 33.01 34.43 2jf4 s GLN 207 CO 0.00 -0.98 1.57 -2.30 -2.12 0.00 0.00 175.29 171.46 2jf4 n PRO 208 N -0.54 1.51 -2.42 2.91 -0.02 -1.21 -4.79 135.00 130.43 2jf4 n PRO 208 Ca -0.06 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 2jf4 n PRO 208 Cb 0.60 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2jf4 n PRO 208 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jf4 s PRO 209 N 1.87 3.18 0.00 0.52 0.04 -1.26 -4.41 135.00 134.94 2jf4 s PRO 209 Ca 0.88 -0.45 0.22 0.00 0.04 0.00 0.00 61.00 61.69 2jf4 s PRO 209 Cb -0.89 -4.75 0.43 0.00 0.04 0.00 0.00 34.50 29.33 2jf4 s PRO 209 CO 0.50 -2.40 1.38 1.19 0.04 0.00 0.00 177.00 177.71 2jf4 n PHE 210 N 10.23 0.53 -0.15 0.56 3.72 -1.26 -4.68 117.46 126.40 2jf4 n PHE 210 Ca 0.21 -0.28 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 2jf4 n PHE 210 Cb 0.50 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.05 2jf4 n PHE 210 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2jf4 h PHE 211 N 4.26 0.59 -0.60 1.38 3.57 -1.94 -2.40 116.94 121.79 2jf4 h PHE 211 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2jf4 h PHE 211 Cb 0.96 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2jf4 h PHE 211 CO 0.26 0.40 0.27 0.00 -2.23 0.00 0.00 178.31 177.01 2jf4 h ALA 212 N 1.15 1.33 0.00 2.41 0.00 -1.99 -1.05 119.26 121.11 2jf4 h ALA 212 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jf4 h ALA 212 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2jf4 h ALA 212 CO -0.03 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.01 2jf4 n LEU 213 N -4.34 1.01 0.00 0.00 4.77 -0.91 -1.51 117.00 116.03 2jf4 n LEU 213 Ca 0.05 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2jf4 n LEU 213 Cb 0.15 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2jf4 n LEU 213 CO 0.38 0.17 0.00 0.52 -1.33 0.00 0.00 177.39 177.14 2jf4 n VAL 215 N 0.98 0.00 -0.25 4.08 0.31 -0.40 -0.71 118.33 122.34 2jf4 n VAL 215 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2jf4 n VAL 215 Cb 0.15 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.13 2jf4 n VAL 215 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2jf4 h GLU 216 N 0.00 0.97 -0.19 5.55 4.81 -1.54 -1.01 114.58 123.18 2jf4 h GLU 216 Ca 0.00 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2jf4 h GLU 216 Cb 0.00 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 2jf4 h GLU 216 CO 0.00 0.73 -0.07 1.25 -0.73 0.00 0.00 179.01 180.19 2jf4 h LEU 217 N 0.96 -0.24 -0.94 1.64 5.85 -1.19 -2.33 115.31 119.06 2jf4 h LEU 217 Ca 0.25 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.04 2jf4 h LEU 217 Cb 0.04 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2jf4 h LEU 217 CO -0.04 -0.09 0.61 0.25 -0.34 0.00 0.00 178.44 178.83 2jf4 h LEU 218 N -0.04 1.09 -2.45 2.25 5.85 -1.77 -1.98 115.31 118.26 2jf4 h LEU 218 Ca 0.10 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jf4 h LEU 218 Cb 0.18 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2jf4 h LEU 218 CO -0.22 0.80 -0.00 0.00 -0.34 0.00 0.00 178.44 178.68 2jf4 h ALA 219 N 1.34 1.52 0.00 1.25 0.00 -0.93 -0.70 119.26 121.73 2jf4 h ALA 219 Ca 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2jf4 h ALA 219 Cb -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jf4 h ALA 219 CO -0.07 0.00 -0.05 1.96 0.00 0.00 0.00 179.25 181.10 2jf4 h GLN 220 N 0.00 0.00 0.02 0.00 4.20 -0.80 0.49 115.11 119.01 2jf4 h GLN 220 Ca -0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 2jf4 h GLN 220 Cb 0.01 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 2jf4 h GLN 220 CO 0.00 0.05 -2.26 1.58 -0.67 0.00 0.00 178.83 177.52 2jf4 n HIS 221 N -4.20 0.33 1.08 2.96 -0.00 -0.71 -4.67 115.22 110.01 2jf4 n HIS 221 Ca -0.03 0.10 0.12 0.00 0.46 0.00 0.00 57.72 58.38 2jf4 n HIS 221 Cb 0.13 -1.04 0.14 0.00 -0.12 0.00 0.00 29.99 29.11 2jf4 n HIS 221 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2jf4 n GLU 222 N -3.81 1.75 -0.05 1.57 1.02 -0.35 -5.09 120.64 115.67 2jf4 n GLU 222 Ca -0.45 -1.38 0.01 0.00 -0.02 0.00 0.00 57.16 55.32 2jf4 n GLU 222 Cb 0.92 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2jf4 n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jf4 n GLY 223 N 1.35 -1.95 0.14 0.62 0.00 0.16 -4.08 105.19 101.43 2jf4 n GLY 223 Ca 0.13 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.88 2jf4 n GLY 223 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jf4 n ASP 224 N -0.09 0.51 -0.24 1.61 5.75 -1.26 -2.13 116.55 120.70 2jf4 n ASP 224 Ca 0.00 0.72 0.10 0.00 -0.01 0.00 0.00 54.79 55.60 2jf4 n ASP 224 Cb 0.02 -0.79 0.37 0.00 -1.03 0.00 0.00 41.12 39.70 2jf4 n ASP 224 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jf4 h ALA 225 N 2.05 1.80 -0.37 2.12 0.00 -1.95 -1.07 119.26 121.85 2jf4 h ALA 225 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2jf4 h ALA 225 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jf4 h ALA 225 CO 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.91 2jf4 h ALA 226 N 1.60 0.54 -0.39 0.00 0.00 -1.64 -0.49 119.26 118.88 2jf4 h ALA 226 Ca 0.40 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jf4 h ALA 226 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jf4 h ALA 226 CO -0.17 0.61 0.24 -0.07 0.00 0.00 0.00 179.25 179.85 2jf4 h LEU 227 N 0.69 0.39 -0.39 0.00 3.38 -1.47 -2.43 115.31 115.49 2jf4 h LEU 227 Ca 0.06 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2jf4 h LEU 227 Cb 0.92 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2jf4 h LEU 227 CO 0.08 0.28 -0.19 0.11 0.09 0.00 0.00 178.44 178.81 2jf4 h LYS 228 N 0.48 0.82 -0.90 1.13 1.57 -1.22 -1.91 116.57 116.54 2jf4 h LYS 228 Ca 0.15 -0.36 0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2jf4 h LYS 228 Cb -0.01 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 2jf4 h LYS 228 CO -0.06 0.99 0.55 0.37 -0.57 0.00 0.00 179.45 180.73 2jf4 h GLN 229 N 0.62 0.92 -0.42 3.15 4.15 -0.99 -3.17 115.11 119.38 2jf4 h GLN 229 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2jf4 h GLN 229 Cb 0.75 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2jf4 h GLN 229 CO 0.06 0.61 0.00 0.66 -1.93 0.00 0.00 178.83 178.23 2jf4 n TYR 230 N -4.64 0.55 -0.20 3.99 4.01 -0.92 -4.54 117.16 115.40 2jf4 n TYR 230 Ca 0.15 -0.37 0.01 0.00 -0.16 0.00 0.00 57.90 57.53 2jf4 n TYR 230 Cb 0.25 -0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.38 2jf4 n TYR 230 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2jf4 h LEU 231 N 3.30 -0.02 -1.08 7.72 5.85 -1.32 -2.48 115.31 127.28 2jf4 h LEU 231 Ca 0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jf4 h LEU 231 Cb 0.84 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2jf4 h LEU 231 CO 0.00 -0.00 0.54 -0.65 -0.34 0.00 0.00 178.44 177.99 2jf4 h PRO 232 N 0.25 1.16 -1.38 5.25 0.11 -1.82 -1.06 132.00 134.51 2jf4 h PRO 232 Ca 0.32 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2jf4 h PRO 232 Cb 0.49 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2jf4 h PRO 232 CO -0.42 0.80 0.00 1.04 -0.21 0.00 0.00 178.00 179.21 2jf4 n GLN 233 N -4.38 0.64 0.00 1.05 3.00 -0.94 -1.40 117.38 115.35 2jf4 n GLN 233 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2jf4 n GLN 233 Cb 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 30.24 29.11 2jf4 n GLN 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2jf4 n GLN 235 N 0.70 0.00 -0.16 -1.09 6.02 -0.40 -0.75 117.38 121.71 2jf4 n GLN 235 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2jf4 n GLN 235 Cb 0.32 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.59 2jf4 n GLN 235 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2jf4 h LYS 236 N 0.00 0.63 -0.44 -1.09 3.64 -1.48 -0.32 116.57 117.51 2jf4 h LYS 236 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2jf4 h LYS 236 Cb 0.00 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2jf4 h LYS 236 CO 0.00 0.44 0.21 1.49 -2.27 0.00 0.00 179.45 179.32 2jf4 h GLU 237 N 0.64 0.64 -0.62 1.90 4.81 -1.20 -2.56 114.58 118.19 2jf4 h GLU 237 Ca 0.17 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2jf4 h GLU 237 Cb -0.05 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.15 2jf4 h GLU 237 CO -0.04 0.55 0.26 -0.92 -0.73 0.00 0.00 179.01 178.13 2jf4 h TYR 238 N 0.57 0.45 -0.29 0.92 3.20 -1.73 -2.07 116.97 118.02 2jf4 h TYR 238 Ca 0.15 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2jf4 h TYR 238 Cb 0.12 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2jf4 h TYR 238 CO -0.01 0.14 0.15 0.00 -1.64 0.00 0.00 178.16 176.80 2jf4 h ALA 239 N 1.40 1.72 0.05 1.82 0.00 -0.87 -2.56 119.26 120.83 2jf4 h ALA 239 Ca 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jf4 h ALA 239 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jf4 h ALA 239 CO -0.28 0.24 -0.02 -0.92 0.00 0.00 0.00 179.25 178.26 2jf4 h TYR 240 N 0.40 -0.06 0.00 0.00 3.20 -0.99 -0.93 116.97 118.59 2jf4 h TYR 240 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2jf4 h TYR 240 Cb 0.03 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2jf4 h TYR 240 CO 0.00 0.08 0.00 0.91 -1.64 0.00 0.00 178.16 177.51 2jf4 n TRP 241 N -5.06 0.00 -0.61 -3.82 7.02 -0.87 -4.85 117.44 109.25 2jf4 n TRP 241 Ca -0.08 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 2jf4 n TRP 241 Cb 0.11 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 2jf4 n TRP 241 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2jf4 n ASP 243 N 0.66 -2.90 0.00 -0.99 2.03 -0.35 -4.21 116.55 110.78 2jf4 n ASP 243 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2jf4 n ASP 243 Cb 0.01 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 2jf4 n ASP 243 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jf4 n GLY 244 N 0.13 0.65 0.25 0.27 0.00 -1.26 -4.53 105.19 100.69 2jf4 n GLY 244 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2jf4 n GLY 244 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jf4 h VAL 245 N 0.00 1.15 -2.74 1.61 3.04 -1.95 -3.35 116.25 114.02 2jf4 h VAL 245 Ca 0.00 -0.66 -0.55 0.00 -1.01 0.00 0.00 66.70 64.49 2jf4 h VAL 245 Cb 0.00 1.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2jf4 h VAL 245 CO 0.00 0.21 0.98 -1.83 -1.01 0.00 0.00 177.57 175.92 2jf4 s GLU 246 N -4.80 4.22 0.00 4.17 1.03 -1.26 -1.48 118.70 120.57 2jf4 s GLU 246 Ca -0.05 2.09 0.00 0.00 0.03 0.00 0.00 54.97 57.04 2jf4 s GLU 246 Cb 0.16 -3.78 0.00 0.00 -0.80 0.00 0.00 34.13 29.70 2jf4 s GLU 246 CO 0.72 -0.74 0.00 -1.71 -1.33 0.00 0.00 175.26 172.21 2jf4 n ASN 247 N 6.33 -1.99 -4.71 0.83 5.15 -1.26 -5.01 115.26 114.61 2jf4 n ASN 247 Ca 0.15 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.71 2jf4 n ASN 247 Cb 0.43 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 2jf4 n ASN 247 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2jf4 s LEU 248 N 0.00 4.35 0.26 1.20 2.96 -0.55 -5.04 118.68 121.85 2jf4 s LEU 248 Ca 0.00 1.97 0.05 0.00 -0.22 0.00 0.00 54.13 55.94 2jf4 s LEU 248 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 2jf4 s LEU 248 CO 0.00 -0.49 0.37 -1.10 -1.32 0.00 0.00 176.35 173.81 2jf4 s GLN 249 N 1.32 3.36 0.26 1.98 -1.52 -1.26 -5.04 119.66 118.76 2jf4 s GLN 249 Ca 0.58 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.88 2jf4 s GLN 249 Cb -0.28 -2.86 -0.13 0.00 -0.22 0.00 0.00 33.01 29.51 2jf4 s GLN 249 CO 0.28 0.37 1.31 0.00 -0.25 0.00 0.00 175.29 177.00 2jf4 n ALA 250 N -1.44 0.84 -0.82 6.09 0.00 -1.26 -2.08 120.51 121.85 2jf4 n ALA 250 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2jf4 n ALA 250 Cb 0.57 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2jf4 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jf4 n GLY 251 N 1.69 0.72 3.57 0.00 0.00 -0.25 -4.83 105.19 106.08 2jf4 n GLY 251 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2jf4 n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jf4 s GLN 252 N -0.18 2.07 0.07 1.61 -0.21 -0.88 -4.96 119.66 117.17 2jf4 s GLN 252 Ca 0.00 -1.34 0.07 0.00 0.02 0.00 0.00 55.36 54.12 2jf4 s GLN 252 Cb 0.00 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 2jf4 s GLN 252 CO 0.00 0.41 -0.20 -0.65 -2.12 0.00 0.00 175.29 172.73 2jf4 s GLN 253 N -3.03 1.24 -0.14 2.91 1.11 -1.26 -0.74 119.66 119.75 2jf4 s GLN 253 Ca 0.26 -1.01 -0.05 0.00 0.01 0.00 0.00 55.36 54.57 2jf4 s GLN 253 Cb -0.08 -1.40 0.07 0.00 -1.01 0.00 0.00 33.01 30.58 2jf4 s GLN 253 CO 0.16 0.35 0.29 -2.00 0.01 0.00 0.00 175.29 174.10 2jf4 s GLU 254 N -1.46 0.18 4.54 2.91 2.56 -0.05 -5.01 118.70 122.36 2jf4 s GLU 254 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 54.97 55.83 2jf4 s GLU 254 Cb -0.09 0.02 0.00 0.00 2.00 0.00 0.00 34.13 36.06 2jf4 s GLU 254 CO 0.03 -0.29 0.00 1.63 -0.56 0.00 0.00 175.26 176.07 2jf4 n LYS 255 N 5.36 0.00 -0.18 4.30 5.02 -1.26 -1.36 118.16 130.03 2jf4 n LYS 255 Ca -0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2jf4 n LYS 255 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.78 2jf4 n LYS 255 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jf4 n ARG 256 N 11.02 2.10 -4.78 1.97 1.74 -1.26 -4.76 116.66 122.69 2jf4 n ARG 256 Ca 0.00 -1.68 -0.33 0.00 -0.77 0.00 0.00 57.85 55.07 2jf4 n ARG 256 Cb 0.00 -1.42 -0.13 0.00 -1.02 0.00 0.00 32.46 29.89 2jf4 n ARG 256 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jf4 s VAL 257 N -1.53 3.26 -0.07 1.55 0.11 -0.47 -0.74 120.40 122.51 2jf4 s VAL 257 Ca 0.34 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 2jf4 s VAL 257 Cb 0.19 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2jf4 s VAL 257 CO 0.26 0.57 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.73 2jf4 s VAL 258 N -0.47 1.64 -0.21 2.04 1.01 0.78 -0.88 120.40 124.31 2jf4 s VAL 258 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2jf4 s VAL 258 Cb -0.12 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.86 2jf4 s VAL 258 CO 0.02 0.47 -0.14 -0.75 0.00 0.00 0.00 175.10 174.70 2jf4 s LYS 259 N 0.33 2.86 0.95 2.72 2.20 0.08 -0.93 119.74 127.96 2jf4 s LYS 259 Ca -0.13 -0.93 -0.15 0.00 -0.36 0.00 0.00 55.97 54.40 2jf4 s LYS 259 Cb -0.16 -2.76 0.17 0.00 -1.51 0.00 0.00 37.83 33.57 2jf4 s LYS 259 CO 0.05 -0.31 1.21 -0.51 -0.36 0.00 0.00 175.35 175.43 2jf4 s LEU 260 N 1.28 2.17 0.34 5.43 1.43 0.75 -1.09 118.68 128.99 2jf4 s LEU 260 Ca 0.02 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2jf4 s LEU 260 Cb -0.15 -2.81 0.58 0.00 0.03 0.00 0.00 46.19 43.84 2jf4 s LEU 260 CO -0.09 -2.70 2.00 1.56 0.23 0.00 0.00 176.35 177.35 2jf4 h GLN 261 N -1.61 0.90 -0.04 1.70 4.20 -1.89 0.44 115.11 118.81 2jf4 h GLN 261 Ca -0.47 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2jf4 h GLN 261 Cb 1.29 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2jf4 h GLN 261 CO 0.51 0.60 0.00 -0.40 -0.67 0.00 0.00 178.83 178.86 2jf4 n ASP 262 N -4.43 0.36 0.00 1.46 5.75 -1.26 -4.62 116.55 113.81 2jf4 n ASP 262 Ca 0.07 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 2jf4 n ASP 262 Cb 0.04 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2jf4 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jf4 n GLY 263 N 0.80 0.64 3.68 6.12 0.00 0.13 -5.04 105.19 111.53 2jf4 n GLY 263 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2jf4 n GLY 263 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jf4 n THR 264 N -2.00 0.24 -3.44 2.61 -1.04 -1.26 -4.60 114.28 104.79 2jf4 n THR 264 Ca 0.00 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.59 2jf4 n THR 264 Cb 0.00 -1.83 -0.07 0.00 -1.82 0.00 0.00 70.33 66.61 2jf4 n THR 264 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jf4 s LEU 265 N 2.16 4.20 0.19 -4.42 1.43 -1.26 -0.18 118.68 120.79 2jf4 s LEU 265 Ca 0.82 0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 2jf4 s LEU 265 Cb -0.61 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2jf4 s LEU 265 CO 0.40 -0.00 0.21 -0.76 0.23 0.00 0.00 176.35 176.43 2jf4 s LEU 266 N 0.93 1.10 0.33 1.79 1.43 -0.11 -4.84 118.68 119.32 2jf4 s LEU 266 Ca 0.18 -1.16 0.09 0.00 -1.03 0.00 0.00 54.13 52.21 2jf4 s LEU 266 Cb -0.14 0.77 -0.05 0.00 0.03 0.00 0.00 46.19 46.80 2jf4 s LEU 266 CO 0.07 -0.88 0.05 0.20 0.23 0.00 0.00 176.35 176.01 2jf4 s ASN 267 N -3.07 4.39 0.14 2.29 -0.87 -1.26 -0.16 114.94 116.41 2jf4 s ASN 267 Ca 0.28 -0.86 -0.01 0.00 -1.57 0.00 0.00 52.86 50.71 2jf4 s ASN 267 Cb 0.05 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.25 40.59 2jf4 s ASN 267 CO 0.07 -0.21 0.06 0.00 -2.57 0.00 0.00 177.10 174.45 2jf4 s ARG 268 N -3.75 0.97 0.33 -0.60 1.70 0.08 -4.30 118.95 113.38 2jf4 s ARG 268 Ca 0.35 -1.47 -0.26 0.00 -0.47 0.00 0.00 55.73 53.88 2jf4 s ARG 268 Cb -0.02 0.19 -0.10 0.00 -0.57 0.00 0.00 34.95 34.45 2jf4 s ARG 268 CO 0.20 -0.26 0.96 0.71 -1.08 0.00 0.00 175.30 175.83 2jf4 s TYR 269 N -4.01 3.67 -0.23 5.89 2.02 -1.26 -4.57 117.35 118.85 2jf4 s TYR 269 Ca 0.26 1.77 -0.24 0.00 -0.37 0.00 0.00 57.07 58.49 2jf4 s TYR 269 Cb 0.07 -2.95 0.06 0.00 -0.40 0.00 0.00 41.96 38.75 2jf4 s TYR 269 CO 0.03 0.14 0.66 -0.46 -1.57 0.00 0.00 175.55 174.34 2jf4 s TRP 270 N -1.60 -0.71 -0.02 2.71 -0.11 -1.26 -4.58 118.94 113.36 2jf4 s TRP 270 Ca 0.50 1.70 0.07 0.00 1.22 0.00 0.00 56.10 59.60 2jf4 s TRP 270 Cb -0.19 0.26 -0.02 0.00 -1.50 0.00 0.00 33.47 32.02 2jf4 s TRP 270 CO 0.25 -0.37 -0.24 0.34 -4.62 0.00 0.00 176.95 172.30 2jf4 s ASP 271 N 0.20 3.22 0.09 5.86 -1.08 -1.26 -4.62 116.67 119.07 2jf4 s ASP 271 Ca -0.01 -0.42 0.18 0.00 -0.52 0.00 0.00 52.55 51.78 2jf4 s ASP 271 Cb -0.04 -0.43 0.77 0.00 -1.46 0.00 0.00 42.92 41.76 2jf4 s ASP 271 CO 0.02 0.32 1.57 0.47 0.52 0.00 0.00 175.17 178.07 2jf4 n ASP 272 N 2.41 0.24 -4.62 -0.34 8.00 -0.44 -4.75 116.55 117.04 2jf4 n ASP 272 Ca -0.16 0.56 -0.27 0.00 0.71 0.00 0.00 54.79 55.62 2jf4 n ASP 272 Cb 0.51 -0.61 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 2jf4 n ASP 272 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2jf4 s ARG 273 N -3.10 2.27 -0.23 -1.24 0.52 -1.26 -5.04 118.95 110.86 2jf4 s ARG 273 Ca 0.06 -1.12 0.17 0.00 -0.52 0.00 0.00 55.73 54.33 2jf4 s ARG 273 Cb 0.10 -2.31 0.47 0.00 0.52 0.00 0.00 34.95 33.74 2jf4 s ARG 273 CO 0.32 0.47 1.15 -0.40 0.02 0.00 0.00 175.30 176.86 2jf4 n ASP 274 N 0.13 2.53 -4.61 0.23 5.75 -1.26 -4.50 116.55 114.82 2jf4 n ASP 274 Ca -0.11 -2.73 -0.28 0.00 -0.01 0.00 0.00 54.79 51.67 2jf4 n ASP 274 Cb 0.54 -0.42 -0.11 0.00 -1.03 0.00 0.00 41.12 40.11 2jf4 n ASP 274 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jf4 s THR 275 N -3.45 2.02 0.56 2.12 -4.23 -1.26 -4.48 115.64 106.91 2jf4 s THR 275 Ca 0.36 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.64 2jf4 s THR 275 Cb 0.36 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 2jf4 s THR 275 CO -0.04 -0.02 1.35 -2.65 -0.54 0.00 0.00 174.62 172.72 2jf4 n PRO 276 N -0.95 1.61 -2.15 3.99 -0.02 -1.26 -4.79 135.00 131.43 2jf4 n PRO 276 Ca -0.05 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2jf4 n PRO 276 Cb 0.67 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2jf4 n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jf4 s ARG 277 N -2.94 4.26 0.33 -0.52 0.52 -1.26 -4.90 118.95 114.44 2jf4 s ARG 277 Ca 0.73 2.06 0.08 0.00 -0.52 0.00 0.00 55.73 58.08 2jf4 s ARG 277 Cb -0.41 -3.56 0.79 0.00 0.52 0.00 0.00 34.95 32.29 2jf4 s ARG 277 CO 0.48 -0.60 1.81 -1.35 0.02 0.00 0.00 175.30 175.65 2jf4 h PRO 278 N 7.88 0.70 0.00 3.54 0.11 -1.92 -0.34 132.00 141.97 2jf4 h PRO 278 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jf4 h PRO 278 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2jf4 h PRO 278 CO 0.91 0.46 0.00 -0.85 -0.21 0.00 0.00 178.00 178.31 2jf4 n GLU 279 N -4.68 0.21 -2.74 1.05 0.00 -1.26 -3.33 120.64 109.89 2jf4 n GLU 279 Ca 0.22 0.04 -0.04 0.00 0.00 0.00 0.00 57.16 57.38 2jf4 n GLU 279 Cb 0.56 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.56 2jf4 n GLU 279 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2jf4 n SER 280 N -1.38 1.04 0.34 -1.84 7.64 -0.36 -2.95 113.62 116.11 2jf4 n SER 280 Ca 0.10 -2.35 -0.19 0.00 1.01 0.00 0.00 58.87 57.44 2jf4 n SER 280 Cb 0.25 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 2jf4 n SER 280 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2jf4 h TRP 281 N 2.61 -1.34 0.00 1.43 2.91 -1.12 -2.27 115.95 118.17 2jf4 h TRP 281 Ca -0.16 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.80 2jf4 h TRP 281 Cb 1.24 0.51 -0.01 0.00 -0.51 0.00 0.00 29.16 30.38 2jf4 h TRP 281 CO 0.43 -0.68 -0.32 -0.39 -1.03 0.00 0.00 178.44 176.44 2jf4 h VAL 282 N -1.06 1.19 -0.11 2.65 -1.51 -1.88 -2.41 116.25 113.12 2jf4 h VAL 282 Ca -0.08 -1.12 -0.01 0.00 -1.23 0.00 0.00 66.70 64.27 2jf4 h VAL 282 Cb 0.90 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 2jf4 h VAL 282 CO -0.00 0.32 0.05 -0.33 -1.23 0.00 0.00 177.57 176.37 2jf4 h GLU 283 N 0.00 0.17 -0.45 5.19 3.07 -1.90 -1.79 114.58 118.87 2jf4 h GLU 283 Ca -0.00 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.74 2jf4 h GLU 283 Cb 0.59 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2jf4 h GLU 283 CO 0.04 0.27 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.41 2jf4 h ASP 284 N 0.03 0.83 -0.45 1.42 5.19 -1.27 -0.53 116.42 121.64 2jf4 h ASP 284 Ca 0.04 -0.34 0.01 0.00 -0.62 0.00 0.00 57.03 56.12 2jf4 h ASP 284 Cb 0.16 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 2jf4 h ASP 284 CO -0.00 0.98 0.28 0.40 -3.12 0.00 0.00 179.24 177.78 2jf4 h ILE 285 N 0.67 1.07 -0.68 0.35 2.04 -1.44 -1.51 117.51 118.02 2jf4 h ILE 285 Ca 0.12 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2jf4 h ILE 285 Cb 0.60 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2jf4 h ILE 285 CO 0.04 0.10 0.41 0.00 0.00 0.00 0.00 178.15 178.70 2jf4 h ALA 286 N 1.19 0.86 -0.44 1.87 0.00 -1.12 -0.02 119.26 121.60 2jf4 h ALA 286 Ca 0.17 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jf4 h ALA 286 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2jf4 h ALA 286 CO -0.06 0.33 0.27 1.15 0.00 0.00 0.00 179.25 180.94 2jf4 h THR 287 N 0.92 1.06 -0.37 0.00 2.02 -0.83 -1.58 112.91 114.13 2jf4 h THR 287 Ca 0.24 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 2jf4 h THR 287 Cb -0.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2jf4 h THR 287 CO -0.05 0.10 -0.27 0.00 0.37 0.00 0.00 175.52 175.68 2jf4 h ALA 288 N 1.19 0.53 -0.49 6.16 0.00 -1.04 -3.03 119.26 122.58 2jf4 h ALA 288 Ca 0.17 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2jf4 h ALA 288 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jf4 h ALA 288 CO -0.07 0.54 0.32 -0.22 0.00 0.00 0.00 179.25 179.83 2jf4 h LYS 289 N 0.63 0.49 0.00 0.00 3.64 -0.85 -2.48 116.57 118.00 2jf4 h LYS 289 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jf4 h LYS 289 Cb 0.84 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2jf4 h LYS 289 CO 0.07 0.33 0.00 -1.13 -2.27 0.00 0.00 179.45 176.45 2jf4 n SER 290 N -4.48 0.34 -3.70 4.20 3.41 -0.61 -4.17 113.62 108.62 2jf4 n SER 290 Ca 0.06 0.57 -0.29 0.00 -0.26 0.00 0.00 58.87 58.95 2jf4 n SER 290 Cb 0.17 -0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 63.36 2jf4 n SER 290 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jf4 s ASN 291 N -3.64 3.50 0.37 4.04 3.04 -0.93 -4.97 114.94 116.34 2jf4 s ASN 291 Ca 0.08 -3.06 0.27 0.00 0.04 0.00 0.00 52.86 50.19 2jf4 s ASN 291 Cb 0.12 -1.08 1.16 0.00 -1.54 0.00 0.00 41.25 39.90 2jf4 s ASN 291 CO 0.40 -0.20 1.82 -0.65 -3.04 0.00 0.00 177.10 175.44 2jf4 h PRO 292 N 6.13 0.00 -0.01 0.43 0.11 -1.74 -3.00 132.00 133.91 2jf4 h PRO 292 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2jf4 h PRO 292 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2jf4 h PRO 292 CO 0.53 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 2jf4 n ASN 293 N -2.54 0.40 -4.32 -2.05 3.02 -1.26 -4.75 115.26 103.75 2jf4 n ASN 293 Ca 0.01 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 53.09 2jf4 n ASN 293 Cb 0.24 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.26 2jf4 n ASN 293 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jf4 s ARG 294 N -1.99 1.79 0.29 3.52 0.52 -1.14 -5.11 118.95 116.83 2jf4 s ARG 294 Ca 0.43 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 2jf4 s ARG 294 Cb 0.21 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.65 2jf4 s ARG 294 CO 0.34 0.50 1.59 -2.14 0.02 0.00 0.00 175.30 175.61 2jf4 s PRO 295 N -1.11 4.13 0.32 3.54 0.02 -1.26 -4.90 135.00 135.74 2jf4 s PRO 295 Ca 0.11 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2jf4 s PRO 295 Cb -0.10 -3.03 0.53 0.00 0.02 0.00 0.00 34.50 31.92 2jf4 s PRO 295 CO 0.01 -0.62 1.96 0.00 -0.33 0.00 0.00 177.00 178.02 2jf4 h ALA 296 N 4.83 1.43 -0.18 -1.55 0.00 -1.90 -2.14 119.26 119.75 2jf4 h ALA 296 Ca -0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2jf4 h ALA 296 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2jf4 h ALA 296 CO 0.79 0.49 0.07 1.79 0.00 0.00 0.00 179.25 182.39 2jf4 h THR 297 N 0.92 1.08 -0.30 0.00 1.35 -1.91 -0.04 112.91 114.02 2jf4 h THR 297 Ca 0.24 -0.24 -0.16 0.00 -0.55 0.00 0.00 66.41 65.71 2jf4 h THR 297 Cb -0.02 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.26 2jf4 h THR 297 CO -0.04 0.09 -0.43 -0.08 -0.25 0.00 0.00 175.52 174.81 2jf4 h GLU 298 N 0.25 0.81 -0.53 4.72 4.81 -1.70 -1.11 114.58 121.84 2jf4 h GLU 298 Ca 0.07 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 2jf4 h GLU 298 Cb 0.05 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2jf4 h GLU 298 CO -0.01 1.11 0.01 0.82 -0.73 0.00 0.00 179.01 180.21 2jf4 h ILE 299 N 0.58 1.26 -0.66 2.32 2.04 -1.22 -2.20 117.51 119.63 2jf4 h ILE 299 Ca 0.03 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 2jf4 h ILE 299 Cb 1.03 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2jf4 h ILE 299 CO 0.10 0.38 0.10 1.88 0.00 0.00 0.00 178.15 180.62 2jf4 h TYR 300 N 0.80 1.17 -0.44 1.37 0.05 -0.96 -0.50 116.97 118.45 2jf4 h TYR 300 Ca 0.15 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2jf4 h TYR 300 Cb 0.52 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2jf4 h TYR 300 CO 0.04 0.98 0.27 -0.09 -1.05 0.00 0.00 178.16 178.31 2jf4 h ARG 301 N 1.02 0.60 -0.07 4.88 9.65 -1.10 -1.76 114.38 127.60 2jf4 h ARG 301 Ca 0.20 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.87 2jf4 h ARG 301 Cb 0.45 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2jf4 h ARG 301 CO 0.01 0.44 -0.64 -0.44 2.80 0.00 0.00 179.97 182.14 2jf4 h ASP 302 N 0.58 0.31 0.05 -3.80 3.32 -1.16 -0.23 116.42 115.49 2jf4 h ASP 302 Ca 0.16 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2jf4 h ASP 302 Cb -0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2jf4 h ASP 302 CO -0.03 0.87 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.26 2jf4 h LEU 303 N 0.19 -0.06 -1.10 1.55 3.38 -0.96 -0.38 115.31 117.94 2jf4 h LEU 303 Ca -0.01 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2jf4 h LEU 303 Cb 1.17 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 2jf4 h LEU 303 CO 0.10 0.06 0.61 0.03 0.09 0.00 0.00 178.44 179.34 2jf4 h ARG 304 N -0.18 1.16 -0.10 1.13 3.08 -1.30 -2.01 114.38 116.15 2jf4 h ARG 304 Ca -0.01 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 2jf4 h ARG 304 Cb 0.16 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2jf4 h ARG 304 CO 0.01 0.77 -0.68 0.77 -1.07 0.00 0.00 179.97 179.76 2jf4 h SER 305 N 1.19 0.52 -0.59 7.04 0.02 -0.83 -0.01 113.55 120.89 2jf4 h SER 305 Ca 0.36 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2jf4 h SER 305 Cb -0.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2jf4 h SER 305 CO -0.10 1.06 0.31 0.00 -1.14 0.00 0.00 176.83 176.95 2jf4 h ALA 306 N 0.94 1.37 -0.57 3.77 0.00 -0.96 -0.90 119.26 122.91 2jf4 h ALA 306 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2jf4 h ALA 306 Cb 1.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2jf4 h ALA 306 CO 0.12 0.50 0.17 0.00 0.00 0.00 0.00 179.25 180.04 2jf4 h ALA 307 N 1.47 0.75 -0.10 0.00 0.00 -0.85 -2.39 119.26 118.14 2jf4 h ALA 307 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jf4 h ALA 307 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jf4 h ALA 307 CO -0.03 0.42 0.08 0.00 0.00 0.00 0.00 179.25 179.72 2jf4 h ALA 308 N 1.04 2.04 0.00 0.00 0.00 -0.65 -2.59 119.26 119.11 2jf4 h ALA 308 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jf4 h ALA 308 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jf4 h ALA 308 CO -0.00 -0.13 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 2jf4 n SER 309 N -4.43 0.75 0.00 0.00 3.41 -0.37 -3.31 113.62 109.67 2jf4 n SER 309 Ca -0.01 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2jf4 n SER 309 Cb 0.19 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2jf4 n SER 309 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jf4 n GLY 310 N 0.49 2.92 2.69 5.00 0.00 -0.98 -4.55 105.19 110.77 2jf4 n GLY 310 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2jf4 n GLY 310 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jf4 n TRP 311 N -1.30 2.65 -3.23 1.61 7.02 -1.21 -4.91 117.44 118.07 2jf4 n TRP 311 Ca 0.00 -2.60 -0.45 0.00 -1.02 0.00 0.00 57.50 53.44 2jf4 n TRP 311 Cb 0.00 -1.30 -0.05 0.00 -2.42 0.00 0.00 31.31 27.53 2jf4 n TRP 311 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2jf4 s ASP 312 N -1.18 6.19 0.37 -0.99 -4.77 -1.22 -3.56 116.67 111.51 2jf4 s ASP 312 Ca 0.39 -1.43 0.04 0.00 -3.30 0.00 0.00 52.55 48.25 2jf4 s ASP 312 Cb 0.16 -2.25 -0.06 0.00 -1.09 0.00 0.00 42.92 39.68 2jf4 s ASP 312 CO -0.08 -0.92 0.05 -0.36 0.70 0.00 0.00 175.17 174.57 2jf4 s PHE 313 N 2.17 2.05 -0.18 2.11 0.08 -1.26 -4.77 117.98 118.19 2jf4 s PHE 313 Ca 0.08 -0.94 -0.16 0.00 0.12 0.00 0.00 56.93 56.03 2jf4 s PHE 313 Cb -0.25 -1.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 2jf4 s PHE 313 CO 0.06 0.08 0.47 0.45 -0.10 0.00 0.00 175.22 176.19 2jf4 s SER 314 N -3.59 -0.49 0.58 1.36 0.15 -1.23 -1.72 113.70 108.75 2jf4 s SER 314 Ca 0.32 0.96 0.30 0.00 0.70 0.00 0.00 55.95 58.22 2jf4 s SER 314 Cb 0.08 0.97 1.42 0.00 -1.71 0.00 0.00 66.02 66.78 2jf4 s SER 314 CO 0.15 -0.16 1.82 0.77 1.20 0.00 0.00 173.24 177.01 2jf4 h SER 315 N 5.40 0.00 -1.28 5.45 4.64 -1.87 -1.90 113.55 123.99 2jf4 h SER 315 Ca -0.27 0.00 0.37 0.00 -0.47 0.00 0.00 61.79 61.42 2jf4 h SER 315 Cb 1.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 2jf4 h SER 315 CO 0.21 0.00 0.88 -0.09 -0.87 0.00 0.00 176.83 176.96 2jf4 h ARG 316 N 0.00 0.11 -1.07 4.77 2.43 -1.95 -3.44 114.38 115.23 2jf4 h ARG 316 Ca 0.31 -0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.79 2jf4 h ARG 316 Cb 1.56 -0.03 -0.30 0.00 -0.42 0.00 0.00 29.97 30.78 2jf4 h ARG 316 CO -0.00 0.07 0.76 0.91 -1.51 0.00 0.00 179.97 180.20 2jf4 n TRP 317 N -4.35 3.18 -0.04 2.20 5.03 -0.72 -5.05 117.44 117.69 2jf4 n TRP 317 Ca 0.30 -2.92 -0.07 0.00 3.03 0.00 0.00 57.50 57.84 2jf4 n TRP 317 Cb 1.29 -1.35 -0.03 0.00 -1.03 0.00 0.00 31.31 30.19 2jf4 n TRP 317 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 2jf4 n ASP 319 N -0.87 1.82 -4.20 -0.99 8.00 -1.21 -0.78 116.55 118.32 2jf4 n ASP 319 Ca 0.61 0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.79 2jf4 n ASP 319 Cb 0.65 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 2jf4 n ASP 319 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2jf4 s ASN 320 N -5.23 4.89 0.00 -2.24 3.84 -1.26 -4.99 114.94 109.95 2jf4 s ASN 320 Ca -0.10 -1.16 0.06 0.00 0.21 0.00 0.00 52.86 51.88 2jf4 s ASN 320 Cb 0.03 -1.74 0.26 0.00 -0.55 0.00 0.00 41.25 39.26 2jf4 s ASN 320 CO 0.14 -0.25 1.18 -0.81 -2.79 0.00 0.00 177.10 174.58 2jf4 n PRO 321 N 4.68 0.01 -0.07 0.43 -0.04 -1.26 -1.28 135.00 137.46 2jf4 n PRO 321 Ca -0.14 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2jf4 n PRO 321 Cb 0.44 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.53 2jf4 n PRO 321 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jf4 n GLN 322 N -1.48 2.06 -3.74 0.54 1.13 -1.26 -4.65 117.38 109.97 2jf4 n GLN 322 Ca 0.02 -1.90 -0.29 0.00 -1.94 0.00 0.00 57.00 52.88 2jf4 n GLN 322 Cb 0.07 -1.42 -0.15 0.00 0.11 0.00 0.00 30.24 28.85 2jf4 n GLN 322 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2jf4 s GLN 323 N -1.59 0.75 0.53 -1.09 -1.52 -0.41 -4.98 119.66 111.35 2jf4 s GLN 323 Ca 0.28 -0.93 0.25 0.00 -1.95 0.00 0.00 55.36 53.01 2jf4 s GLN 323 Cb 0.18 -2.03 1.38 0.00 -0.22 0.00 0.00 33.01 32.32 2jf4 s GLN 323 CO 0.27 -0.89 2.00 1.25 -0.25 0.00 0.00 175.29 177.66 2jf4 h LEU 324 N 8.12 0.01 0.00 2.90 5.85 -1.88 -1.43 115.31 128.88 2jf4 h LEU 324 Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2jf4 h LEU 324 Cb 1.04 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2jf4 h LEU 324 CO 0.44 0.01 0.00 -0.46 -0.34 0.00 0.00 178.44 178.09 2jf4 n ASN 325 N -4.39 0.00 -0.77 1.25 0.23 -1.26 -1.18 115.26 109.14 2jf4 n ASN 325 Ca 0.09 0.26 0.12 0.00 -0.53 0.00 0.00 54.58 54.52 2jf4 n ASN 325 Cb 0.59 -0.36 0.31 0.00 -2.08 0.00 0.00 39.78 38.24 2jf4 n ASN 325 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2jf4 n THR 326 N -1.36 0.23 -2.19 5.53 -2.24 -0.54 -4.93 114.28 108.78 2jf4 n THR 326 Ca 0.04 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.97 2jf4 n THR 326 Cb 0.11 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.06 2jf4 n THR 326 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2jf4 s LEU 327 N -1.68 4.16 -0.39 3.22 2.34 -0.32 -3.31 118.68 122.70 2jf4 s LEU 327 Ca 0.34 2.46 0.11 0.00 0.06 0.00 0.00 54.13 57.10 2jf4 s LEU 327 Cb 0.20 -4.02 0.35 0.00 -0.56 0.00 0.00 46.19 42.15 2jf4 s LEU 327 CO 0.29 -0.81 0.83 -2.11 -1.06 0.00 0.00 176.35 173.49 2jf4 n ARG 328 N -0.03 0.99 -0.34 1.48 1.85 0.04 -4.90 116.66 115.74 2jf4 n ARG 328 Ca 0.05 -3.05 0.11 0.00 -1.00 0.00 0.00 57.85 53.96 2jf4 n ARG 328 Cb 0.46 -1.53 0.31 0.00 -1.05 0.00 0.00 32.46 30.64 2jf4 n ARG 328 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2jf4 h THR 329 N 1.50 0.79 0.00 8.89 2.02 -1.80 -2.44 112.91 121.87 2jf4 h THR 329 Ca 0.05 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2jf4 h THR 329 Cb 1.01 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2jf4 h THR 329 CO 0.41 0.15 0.00 0.35 0.37 0.00 0.00 175.52 176.80 2jf4 n THR 330 N -4.68 0.45 -0.71 3.16 -2.24 -1.26 -2.27 114.28 106.72 2jf4 n THR 330 Ca 0.21 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 2jf4 n THR 330 Cb 0.50 -0.78 0.25 0.00 -2.10 0.00 0.00 70.33 68.20 2jf4 n THR 330 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jf4 n SER 331 N -1.33 3.84 -4.11 3.42 3.41 -0.92 -4.96 113.62 112.98 2jf4 n SER 331 Ca 0.08 -2.66 -0.29 0.00 -0.26 0.00 0.00 58.87 55.75 2jf4 n SER 331 Cb 0.17 -0.47 -0.17 0.00 -0.26 0.00 0.00 64.21 63.49 2jf4 n SER 331 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jf4 s ILE 332 N -2.19 1.67 -0.46 -1.33 1.01 -0.96 -0.41 121.20 118.53 2jf4 s ILE 332 Ca 0.39 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 60.07 2jf4 s ILE 332 Cb 0.28 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 41.29 2jf4 s ILE 332 CO 0.13 0.47 0.68 -0.69 0.00 0.00 0.00 174.94 175.53 2jf4 s VAL 333 N 0.77 4.78 0.19 2.92 1.01 0.10 -4.70 120.40 125.49 2jf4 s VAL 333 Ca -0.10 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2jf4 s VAL 333 Cb -0.16 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 2jf4 s VAL 333 CO 0.01 -0.69 1.05 -2.84 0.00 0.00 0.00 175.10 172.64 2jf4 s PRO 334 N 2.92 4.65 0.20 2.72 0.02 -1.26 -1.38 135.00 142.86 2jf4 s PRO 334 Ca 0.22 1.65 0.01 0.00 0.02 0.00 0.00 61.00 62.90 2jf4 s PRO 334 Cb -0.15 -3.28 0.12 0.00 0.02 0.00 0.00 34.50 31.21 2jf4 s PRO 334 CO 0.18 0.18 1.48 -0.24 -0.33 0.00 0.00 177.00 178.27 2jf4 h VAL 335 N 3.61 1.38 0.20 3.83 3.04 -1.90 -2.96 116.25 123.45 2jf4 h VAL 335 Ca -0.44 -2.08 -0.01 0.00 -1.01 0.00 0.00 66.70 63.16 2jf4 h VAL 335 Cb 1.21 2.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 2jf4 h VAL 335 CO 0.71 0.62 -0.10 -2.24 -1.01 0.00 0.00 177.57 175.55 2jf4 h ASP 336 N 0.25 -0.23 -0.59 3.17 3.04 -1.94 -2.00 116.42 118.13 2jf4 h ASP 336 Ca -0.02 -0.24 0.12 0.00 -3.24 0.00 0.00 57.03 53.65 2jf4 h ASP 336 Cb 1.23 0.06 -0.11 0.00 -1.04 0.00 0.00 39.33 39.46 2jf4 h ASP 336 CO 0.11 0.13 -0.18 0.25 -2.04 0.00 0.00 179.24 177.51 2jf4 h LEU 337 N -0.63 -0.66 -1.12 0.15 5.85 -1.96 -0.37 115.31 116.57 2jf4 h LEU 337 Ca -0.03 0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 2jf4 h LEU 337 Cb 0.45 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2jf4 h LEU 337 CO 0.05 -0.22 -0.31 0.78 -0.34 0.00 0.00 178.44 178.40 2jf4 h ASN 338 N -0.04 0.00 -0.44 1.25 2.35 -1.55 -2.02 115.58 115.13 2jf4 h ASN 338 Ca 0.28 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 2jf4 h ASN 338 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2jf4 h ASN 338 CO -0.62 0.31 -0.05 0.28 -1.65 0.00 0.00 177.43 175.70 2jf4 h SER 339 N 0.00 0.81 0.00 5.81 0.02 -0.66 -2.10 113.55 117.42 2jf4 h SER 339 Ca -0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2jf4 h SER 339 Cb 0.77 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2jf4 h SER 339 CO 0.04 0.95 0.00 0.18 -1.14 0.00 0.00 176.83 176.86 2jf4 n LEU 340 N -4.34 0.67 0.00 5.07 4.77 -0.21 -1.91 117.00 121.05 2jf4 n LEU 340 Ca -0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2jf4 n LEU 340 Cb 0.33 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2jf4 n LEU 340 CO 0.42 0.12 0.00 0.33 -1.33 0.00 0.00 177.39 176.93 2jf4 n PHE 342 N 0.71 0.00 0.00 -1.77 7.35 -0.79 -4.67 117.46 118.29 2jf4 n PHE 342 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2jf4 n PHE 342 Cb 0.12 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.95 2jf4 n PHE 342 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2jf4 n LYS 343 N 0.00 0.00 0.00 -4.13 3.00 -0.80 -1.30 118.16 114.93 2jf4 n LYS 343 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jf4 n LYS 343 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 33.76 2jf4 n LYS 343 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jf4 n GLU 345 N 0.79 0.00 -0.25 1.64 1.02 -1.26 -0.55 120.64 122.03 2jf4 n GLU 345 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2jf4 n GLU 345 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 2jf4 n GLU 345 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jf4 h LYS 346 N 0.00 1.09 -0.33 3.49 1.79 -1.47 -1.28 116.57 119.86 2jf4 h LYS 346 Ca 0.00 -0.25 -0.13 0.00 -2.18 0.00 0.00 60.65 58.09 2jf4 h LYS 346 Cb 0.00 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2jf4 h LYS 346 CO 0.00 0.96 -0.29 0.82 -1.08 0.00 0.00 179.45 179.86 2jf4 h ILE 347 N 1.02 1.29 -0.87 1.86 2.04 -1.09 -2.28 117.51 119.49 2jf4 h ILE 347 Ca 0.22 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.64 2jf4 h ILE 347 Cb 0.35 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2jf4 h ILE 347 CO 0.00 0.48 0.56 -0.07 0.00 0.00 0.00 178.15 179.12 2jf4 h LEU 348 N 0.56 0.96 -0.53 1.44 3.38 -1.79 0.17 115.31 119.50 2jf4 h LEU 348 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jf4 h LEU 348 Cb 0.87 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2jf4 h LEU 348 CO 0.07 0.67 0.34 0.00 0.09 0.00 0.00 178.44 179.62 2jf4 h ALA 349 N 1.34 0.68 -0.42 1.53 0.00 -1.18 -1.22 119.26 119.99 2jf4 h ALA 349 Ca 0.33 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2jf4 h ALA 349 Cb -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2jf4 h ALA 349 CO -0.10 0.13 0.02 -0.09 0.00 0.00 0.00 179.25 179.21 2jf4 h ARG 350 N 0.72 0.72 -0.22 0.00 2.43 -1.02 -1.78 114.38 115.23 2jf4 h ARG 350 Ca 0.19 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2jf4 h ARG 350 Cb -0.06 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2jf4 h ARG 350 CO -0.04 0.79 0.08 0.00 -1.51 0.00 0.00 179.97 179.29 2jf4 h ALA 351 N 0.90 0.29 -0.37 2.80 0.00 -0.60 -1.02 119.26 121.27 2jf4 h ALA 351 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2jf4 h ALA 351 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2jf4 h ALA 351 CO 0.02 -0.10 0.05 0.77 0.00 0.00 0.00 179.25 179.99 2jf4 h SER 352 N 0.20 -0.04 -0.48 0.00 0.02 -1.22 0.90 113.55 112.93 2jf4 h SER 352 Ca 0.07 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2jf4 h SER 352 Cb 0.20 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2jf4 h SER 352 CO -0.00 0.02 0.22 0.50 -1.14 0.00 0.00 176.83 176.42 2jf4 h LYS 353 N 0.17 0.70 -0.96 3.45 3.64 -1.22 0.12 116.57 122.46 2jf4 h LYS 353 Ca 0.18 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2jf4 h LYS 353 Cb 0.22 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2jf4 h LYS 353 CO -0.25 0.60 0.62 0.00 -2.27 0.00 0.00 179.45 178.15 2jf4 h ALA 354 N 1.06 1.32 0.00 5.00 0.00 -0.84 -2.67 119.26 123.12 2jf4 h ALA 354 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jf4 h ALA 354 Cb 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2jf4 h ALA 354 CO -0.02 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 2jf4 h ALA 355 N 1.43 1.00 0.00 0.00 0.00 -0.21 -3.47 119.26 118.02 2jf4 h ALA 355 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2jf4 h ALA 355 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jf4 h ALA 355 CO -0.16 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.52 2jf4 n GLY 356 N 0.21 1.04 3.30 0.00 0.00 -0.48 -5.06 105.19 104.20 2jf4 n GLY 356 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 2jf4 n GLY 356 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jf4 s ASP 357 N -2.04 6.51 0.11 1.61 -1.08 0.29 -4.91 116.67 117.16 2jf4 s ASP 357 Ca 0.00 -2.53 -0.02 0.00 -0.52 0.00 0.00 52.55 49.47 2jf4 s ASP 357 Cb 0.00 -2.17 -0.17 0.00 -1.46 0.00 0.00 42.92 39.12 2jf4 s ASP 357 CO 0.00 -0.61 1.24 0.78 0.52 0.00 0.00 175.17 177.11 2jf4 h ASN 358 N 7.92 0.39 0.00 -0.34 2.35 -1.90 -1.62 115.58 122.38 2jf4 h ASN 358 Ca 0.02 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2jf4 h ASN 358 Cb 1.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2jf4 h ASN 358 CO 0.80 1.22 0.00 0.00 -1.65 0.00 0.00 177.43 177.80 2jf4 n ALA 359 N -2.51 1.20 0.00 -0.83 0.00 -1.26 -1.37 120.51 115.74 2jf4 n ALA 359 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jf4 n ALA 359 Cb 0.92 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2jf4 n ALA 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jf4 n ALA 361 N 0.49 0.00 -0.25 0.00 0.00 -0.61 -1.97 120.51 118.17 2jf4 n ALA 361 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2jf4 n ALA 361 Cb 0.03 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.57 2jf4 n ALA 361 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jf4 h ASN 362 N 0.00 1.04 -0.01 0.00 -0.26 -1.51 -1.69 115.58 113.15 2jf4 h ASN 362 Ca 0.00 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 2jf4 h ASN 362 Cb 0.00 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 2jf4 h ASN 362 CO 0.00 0.95 0.01 1.56 -1.06 0.00 0.00 177.43 178.89 2jf4 h GLN 363 N 1.08 0.02 -0.83 0.81 4.20 -1.65 -1.64 115.11 117.09 2jf4 h GLN 363 Ca 0.24 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2jf4 h GLN 363 Cb 0.27 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2jf4 h GLN 363 CO -0.01 0.06 0.41 1.88 -0.67 0.00 0.00 178.83 180.50 2jf4 h TYR 364 N -0.03 1.17 -0.67 2.96 0.05 -1.82 -1.31 116.97 117.32 2jf4 h TYR 364 Ca 0.00 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 2jf4 h TYR 364 Cb 0.04 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 2jf4 h TYR 364 CO -0.06 0.84 0.22 1.49 -1.05 0.00 0.00 178.16 179.59 2jf4 h GLU 365 N 1.17 1.05 -0.64 4.88 4.57 -1.23 -0.27 114.58 124.11 2jf4 h GLU 365 Ca 0.29 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2jf4 h GLU 365 Cb 0.09 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2jf4 h GLU 365 CO -0.04 0.90 0.28 1.15 -1.18 0.00 0.00 179.01 180.13 2jf4 h THR 366 N 0.98 1.23 -0.54 0.32 2.02 -1.05 0.49 112.91 116.36 2jf4 h THR 366 Ca 0.22 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2jf4 h THR 366 Cb 0.29 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2jf4 h THR 366 CO -0.01 0.28 0.27 -0.07 0.37 0.00 0.00 175.52 176.36 2jf4 h LEU 367 N 0.90 0.70 -0.50 2.58 3.38 -0.98 -2.11 115.31 119.28 2jf4 h LEU 367 Ca 0.22 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2jf4 h LEU 367 Cb 0.17 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jf4 h LEU 367 CO -0.02 0.62 0.17 0.00 0.09 0.00 0.00 178.44 179.30 2jf4 h ALA 368 N 1.11 0.65 -0.97 1.53 0.00 -0.86 -1.03 119.26 119.70 2jf4 h ALA 368 Ca 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jf4 h ALA 368 Cb 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2jf4 h ALA 368 CO -0.03 0.30 0.64 -0.91 0.00 0.00 0.00 179.25 179.25 2jf4 h ASN 369 N 0.67 1.11 -0.55 0.00 2.35 -0.79 -1.53 115.58 116.84 2jf4 h ASN 369 Ca 0.16 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 2jf4 h ASN 369 Cb 0.25 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2jf4 h ASN 369 CO -0.01 0.80 0.00 0.00 -1.65 0.00 0.00 177.43 176.58 2jf4 h ALA 370 N 1.36 0.74 -0.67 -0.83 0.00 -1.16 -2.71 119.26 115.98 2jf4 h ALA 370 Ca 0.36 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2jf4 h ALA 370 Cb -0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2jf4 h ALA 370 CO -0.08 0.56 0.20 -0.09 0.00 0.00 0.00 179.25 179.84 2jf4 h ARG 371 N 0.84 1.05 -1.01 0.00 2.43 -0.88 -2.20 114.38 114.62 2jf4 h ARG 371 Ca 0.16 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2jf4 h ARG 371 Cb 0.53 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 2jf4 h ARG 371 CO 0.03 0.92 0.66 0.37 -1.51 0.00 0.00 179.97 180.44 2jf4 h GLN 372 N 0.98 1.27 -0.61 0.20 4.15 -1.21 -0.19 115.11 119.71 2jf4 h GLN 372 Ca 0.21 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 2jf4 h GLN 372 Cb 0.32 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2jf4 h GLN 372 CO -0.00 0.84 0.20 0.87 -1.93 0.00 0.00 178.83 178.81 2jf4 h LYS 373 N 1.31 0.91 -0.12 1.69 1.79 -1.26 -1.57 116.57 119.32 2jf4 h LYS 373 Ca 0.39 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2jf4 h LYS 373 Cb -0.06 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.44 2jf4 h LYS 373 CO -0.11 0.78 0.02 0.78 -1.08 0.00 0.00 179.45 179.84 2jf4 h GLY 374 N 1.01 0.21 0.66 3.86 0.00 -0.72 -2.13 103.07 105.96 2jf4 h GLY 374 Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.43 2jf4 h GLY 374 CO -0.01 0.13 0.03 -2.22 0.00 0.00 0.00 176.54 174.47 2jf4 h ILE 375 N -0.03 0.85 -0.17 2.60 2.04 -1.00 0.26 117.51 122.06 2jf4 h ILE 375 Ca 0.04 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2jf4 h ILE 375 Cb 0.29 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2jf4 h ILE 375 CO 0.00 0.02 -0.04 -0.33 0.00 0.00 0.00 178.15 177.80 2jf4 h GLU 376 N 0.13 0.25 0.03 2.37 4.39 -1.26 -0.28 114.58 120.21 2jf4 h GLU 376 Ca 0.12 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.60 2jf4 h GLU 376 Cb 0.14 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2jf4 h GLU 376 CO -0.18 0.32 -0.95 -0.22 -1.16 0.00 0.00 179.01 176.81 2jf4 h LYS 377 N 0.24 0.06 0.00 2.33 3.64 -1.09 -3.38 116.57 118.37 2jf4 h LYS 377 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jf4 h LYS 377 Cb 0.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jf4 h LYS 377 CO 0.01 1.05 -1.27 0.66 -2.27 0.00 0.00 179.45 177.62 2jf4 n TYR 378 N -4.35 0.00 -0.43 1.91 4.01 0.89 -4.47 117.16 114.71 2jf4 n TYR 378 Ca -0.24 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.54 2jf4 n TYR 378 Cb 0.68 -0.16 0.08 0.00 -0.31 0.00 0.00 39.34 39.64 2jf4 n TYR 378 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2jf4 n LEU 379 N -1.72 2.38 -4.33 7.72 4.77 -0.12 -4.38 117.00 121.32 2jf4 n LEU 379 Ca 0.01 -2.42 -0.33 0.00 -0.03 0.00 0.00 56.01 53.24 2jf4 n LEU 379 Cb 0.39 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.13 2jf4 n LEU 379 CO 0.42 0.61 -0.44 0.86 -1.33 0.00 0.00 177.39 177.51 2jf4 s TRP 380 N -1.73 2.85 -0.56 -1.77 -0.11 -1.20 -1.03 118.94 115.39 2jf4 s TRP 380 Ca 0.16 -0.81 -0.19 0.00 1.22 0.00 0.00 56.10 56.48 2jf4 s TRP 380 Cb 0.13 -1.92 0.08 0.00 -1.50 0.00 0.00 33.47 30.26 2jf4 s TRP 380 CO 0.04 -0.36 0.69 1.21 -4.62 0.00 0.00 176.95 173.91 2jf4 s ASN 381 N 0.74 6.20 0.16 5.86 3.84 0.39 -4.92 114.94 127.21 2jf4 s ASN 381 Ca -0.05 -1.14 -0.05 0.00 0.21 0.00 0.00 52.86 51.84 2jf4 s ASN 381 Cb -0.15 -2.31 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2jf4 s ASN 381 CO 0.02 -1.04 1.41 -0.78 -2.79 0.00 0.00 177.10 173.92 2jf4 h ASP 382 N 9.13 0.63 -0.78 -4.21 3.58 -1.98 0.11 116.42 122.91 2jf4 h ASP 382 Ca -0.28 -0.40 0.07 0.00 0.42 0.00 0.00 57.03 56.83 2jf4 h ASP 382 Cb 1.09 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.89 2jf4 h ASP 382 CO 1.04 1.15 0.46 -0.61 -2.88 0.00 0.00 179.24 178.40 2jf4 h GLN 383 N 0.38 0.80 0.00 0.28 4.15 -1.96 -3.23 115.11 115.52 2jf4 h GLN 383 Ca -0.03 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 59.11 2jf4 h GLN 383 Cb 1.29 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 2jf4 h GLN 383 CO 0.13 0.53 -1.69 1.04 -1.93 0.00 0.00 178.83 176.91 2jf4 n GLN 384 N -4.71 0.64 -2.15 1.69 1.13 -1.17 -5.01 117.38 107.80 2jf4 n GLN 384 Ca 0.11 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 2jf4 n GLN 384 Cb 0.20 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.80 2jf4 n GLN 384 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jf4 n GLY 385 N 1.49 0.94 3.34 1.08 0.00 0.36 -5.09 105.19 107.30 2jf4 n GLY 385 Ca -0.15 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2jf4 n GLY 385 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jf4 s TRP 386 N -2.86 -0.28 0.58 1.61 -2.14 -1.08 -4.88 118.94 109.89 2jf4 s TRP 386 Ca 0.00 0.11 -0.19 0.00 2.66 0.00 0.00 56.10 58.68 2jf4 s TRP 386 Cb 0.00 0.28 -0.04 0.00 -3.10 0.00 0.00 33.47 30.61 2jf4 s TRP 386 CO 0.00 -0.67 1.17 0.71 -2.66 0.00 0.00 176.95 175.51 2jf4 s TYR 387 N -3.20 2.51 0.20 1.66 2.02 -1.26 -0.47 117.35 118.81 2jf4 s TYR 387 Ca -0.01 1.53 -0.23 0.00 -0.37 0.00 0.00 57.07 57.99 2jf4 s TYR 387 Cb 0.01 -3.39 0.05 0.00 -0.40 0.00 0.00 41.96 38.22 2jf4 s TYR 387 CO -0.08 -1.94 0.78 0.00 -1.57 0.00 0.00 175.55 172.74 2jf4 s ALA 388 N -1.70 -1.45 0.76 3.71 0.00 -0.20 -4.60 121.76 118.28 2jf4 s ALA 388 Ca 0.75 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 2jf4 s ALA 388 Cb -0.27 0.77 0.05 0.00 0.00 0.00 0.00 23.12 23.66 2jf4 s ALA 388 CO 0.31 -0.97 1.09 -0.51 0.00 0.00 0.00 175.76 175.68 2jf4 s ASP 389 N -2.86 4.85 -0.12 0.00 1.01 -1.26 -4.43 116.67 113.85 2jf4 s ASP 389 Ca 0.09 1.36 -0.03 0.00 0.71 0.00 0.00 52.55 54.69 2jf4 s ASP 389 Cb -0.04 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 2jf4 s ASP 389 CO 0.01 -1.75 -0.01 -0.47 0.21 0.00 0.00 175.17 173.16 2jf4 s TYR 390 N -3.15 3.10 -0.38 4.23 5.04 -0.48 -0.62 117.35 125.09 2jf4 s TYR 390 Ca 0.60 -0.01 -0.15 0.00 -2.44 0.00 0.00 57.07 55.06 2jf4 s TYR 390 Cb -0.14 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.30 2jf4 s TYR 390 CO 0.54 0.24 0.32 0.34 -1.34 0.00 0.00 175.55 175.65 2jf4 s ASP 391 N -0.29 6.13 0.14 4.32 -1.08 0.68 0.03 116.67 126.61 2jf4 s ASP 391 Ca 0.06 -0.57 0.22 0.00 -0.52 0.00 0.00 52.55 51.73 2jf4 s ASP 391 Cb -0.12 -2.17 0.87 0.00 -1.46 0.00 0.00 42.92 40.03 2jf4 s ASP 391 CO 0.02 -0.39 1.67 0.18 0.52 0.00 0.00 175.17 177.17 2jf4 n LEU 392 N 5.28 0.40 -0.07 -1.34 4.77 0.46 -1.23 117.00 125.27 2jf4 n LEU 392 Ca -0.10 0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 56.32 2jf4 n LEU 392 Cb 0.48 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 2jf4 n LEU 392 CO 0.41 -0.34 0.32 0.50 -1.33 0.00 0.00 177.39 176.95 2jf4 h LYS 393 N 0.00 0.00 0.00 3.23 1.63 -1.93 -3.37 116.57 116.13 2jf4 h LYS 393 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jf4 h LYS 393 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2jf4 h LYS 393 CO 0.00 0.96 -0.58 -1.13 -3.45 0.00 0.00 179.45 175.25 2jf4 n SER 394 N -4.61 0.55 -3.50 4.20 3.41 -1.22 -4.96 113.62 107.49 2jf4 n SER 394 Ca -0.11 -0.20 -0.20 0.00 -0.26 0.00 0.00 58.87 58.10 2jf4 n SER 394 Cb 0.47 0.30 0.08 0.00 -0.26 0.00 0.00 64.21 64.81 2jf4 n SER 394 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jf4 n HIS 395 N -1.64 -2.52 -3.99 7.33 8.25 -0.36 -5.03 115.22 117.26 2jf4 n HIS 395 Ca 0.05 0.97 -0.09 0.00 -0.26 0.00 0.00 57.72 58.39 2jf4 n HIS 395 Cb 0.36 -5.06 -0.06 0.00 1.12 0.00 0.00 29.99 26.35 2jf4 n HIS 395 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2jf4 s LYS 396 N -5.81 1.42 0.16 -0.41 -2.85 -1.14 -5.00 119.74 106.11 2jf4 s LYS 396 Ca 0.28 -1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 53.70 2jf4 s LYS 396 Cb -0.12 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.00 2jf4 s LYS 396 CO 0.73 -0.57 1.25 0.08 0.10 0.00 0.00 175.35 176.94 2jf4 s VAL 397 N -4.01 3.54 0.69 1.79 1.01 -1.26 -0.23 120.40 121.93 2jf4 s VAL 397 Ca 0.22 1.22 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 2jf4 s VAL 397 Cb 0.01 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2jf4 s VAL 397 CO 0.07 0.16 1.07 -0.13 0.00 0.00 0.00 175.10 176.27 2jf4 s ARG 398 N 0.21 2.81 0.07 2.72 0.52 0.21 -4.87 118.95 120.62 2jf4 s ARG 398 Ca 0.56 1.10 0.20 0.00 -0.52 0.00 0.00 55.73 57.07 2jf4 s ARG 398 Cb -0.33 -1.97 -0.14 0.00 0.52 0.00 0.00 34.95 33.03 2jf4 s ARG 398 CO 0.35 -1.21 0.77 0.09 0.02 0.00 0.00 175.30 175.33 2jf4 n ASN 399 N -2.95 0.64 -4.72 0.23 3.02 -1.26 -4.67 115.26 105.55 2jf4 n ASN 399 Ca 0.08 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.48 2jf4 n ASN 399 Cb 0.53 0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 2jf4 n ASN 399 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2jf4 s GLN 400 N -3.14 4.25 -0.21 3.52 0.74 -1.26 -5.00 119.66 118.57 2jf4 s GLN 400 Ca -0.04 2.26 -0.27 0.00 0.05 0.00 0.00 55.36 57.37 2jf4 s GLN 400 Cb 0.10 -3.18 -0.00 0.00 1.10 0.00 0.00 33.01 31.02 2jf4 s GLN 400 CO 0.82 -0.54 0.92 -1.17 -0.55 0.00 0.00 175.29 174.77 2jf4 s LEU 401 N 1.06 4.12 0.27 3.68 2.96 -1.26 -4.75 118.68 124.76 2jf4 s LEU 401 Ca 0.68 1.23 0.05 0.00 -0.22 0.00 0.00 54.13 55.87 2jf4 s LEU 401 Cb -0.41 -3.35 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 2jf4 s LEU 401 CO 0.31 -0.54 -0.02 0.42 -1.32 0.00 0.00 176.35 175.20 2jf4 s THR 402 N 2.74 1.38 0.62 3.68 -4.23 -1.26 -4.26 115.64 114.30 2jf4 s THR 402 Ca 0.40 -2.07 0.34 0.00 -1.18 0.00 0.00 61.69 59.17 2jf4 s THR 402 Cb -0.16 -2.47 0.38 0.00 1.34 0.00 0.00 72.50 71.60 2jf4 s THR 402 CO 0.09 -0.27 2.23 0.00 -0.54 0.00 0.00 174.62 176.13 2jf4 h ALA 403 N 2.32 1.44 -0.23 3.99 0.00 -1.31 -2.03 119.26 123.43 2jf4 h ALA 403 Ca -0.40 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2jf4 h ALA 403 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2jf4 h ALA 403 CO 0.67 -0.10 0.34 0.00 0.00 0.00 0.00 179.25 180.16 2jf4 h ALA 404 N 1.89 1.79 0.00 0.00 0.00 -1.96 -2.01 119.26 118.96 2jf4 h ALA 404 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jf4 h ALA 404 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jf4 h ALA 404 CO -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.79 2jf4 n ALA 405 N -2.20 1.51 0.52 0.00 0.00 -0.76 -2.08 120.51 117.50 2jf4 n ALA 405 Ca 0.03 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.72 2jf4 n ALA 405 Cb 0.47 -1.37 0.37 0.00 0.00 0.00 0.00 19.45 18.91 2jf4 n ALA 405 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jf4 h LEU 406 N 0.00 0.00 -0.85 0.00 -0.00 -1.59 -3.39 115.31 109.48 2jf4 h LEU 406 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 2jf4 h LEU 406 Cb 0.28 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.89 2jf4 h LEU 406 CO 0.00 0.00 0.55 -0.26 -0.00 0.00 0.00 178.44 178.73 2jf4 h PHE 407 N 0.00 1.03 -0.48 1.13 -1.00 -1.61 -1.22 116.94 114.79 2jf4 h PHE 407 Ca 0.00 0.03 0.12 0.00 2.81 0.00 0.00 57.97 60.93 2jf4 h PHE 407 Cb 0.76 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 2jf4 h PHE 407 CO 0.00 0.59 0.34 -1.35 -1.61 0.00 0.00 178.31 176.28 2jf4 h PRO 408 N 1.07 0.08 -0.08 1.51 0.11 -1.80 -1.39 132.00 131.49 2jf4 h PRO 408 Ca 0.34 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.24 2jf4 h PRO 408 Cb 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.11 2jf4 h PRO 408 CO -0.11 0.05 -0.75 -0.07 -0.21 0.00 0.00 178.00 176.91 2jf4 h LEU 409 N 0.08 0.80 -1.28 2.35 4.07 -1.52 -0.02 115.31 119.79 2jf4 h LEU 409 Ca 0.23 -0.68 0.04 0.00 0.08 0.00 0.00 57.88 57.55 2jf4 h LEU 409 Cb 0.79 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 2jf4 h LEU 409 CO -0.02 1.36 0.51 0.22 -1.08 0.00 0.00 178.44 179.43 2jf4 h TYR 410 N 0.31 0.90 -0.25 1.13 3.20 -0.60 -2.17 116.97 119.49 2jf4 h TYR 410 Ca -0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2jf4 h TYR 410 Cb 1.40 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2jf4 h TYR 410 CO 0.11 0.51 0.00 1.33 -1.64 0.00 0.00 178.16 178.47 2jf4 n VAL 411 N -4.46 0.30 -2.73 1.81 0.24 -0.66 -4.75 118.33 108.08 2jf4 n VAL 411 Ca 0.10 -0.62 -0.20 0.00 -2.04 0.00 0.00 64.34 61.58 2jf4 n VAL 411 Cb 0.14 1.07 0.02 0.00 -1.47 0.00 0.00 33.84 33.61 2jf4 n VAL 411 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jf4 n ASN 412 N 1.31 -5.78 0.04 -1.34 4.13 -0.82 -4.84 115.26 107.96 2jf4 n ASN 412 Ca 0.17 -0.17 -0.06 0.00 1.68 0.00 0.00 54.58 56.21 2jf4 n ASN 412 Cb 0.57 -4.68 -0.11 0.00 -1.54 0.00 0.00 39.78 34.02 2jf4 n ASN 412 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jf4 h ALA 413 N 0.94 0.53 -2.77 5.41 0.00 -1.29 -3.49 119.26 118.60 2jf4 h ALA 413 Ca -0.49 -1.03 -0.51 0.00 0.00 0.00 0.00 54.91 52.88 2jf4 h ALA 413 Cb 1.35 0.08 0.05 0.00 0.00 0.00 0.00 17.79 19.26 2jf4 h ALA 413 CO 0.54 1.27 0.52 0.00 0.00 0.00 0.00 179.25 181.59 2jf4 s ALA 414 N -2.71 3.24 0.47 0.00 0.00 -0.90 -4.97 121.76 116.89 2jf4 s ALA 414 Ca -0.01 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.73 2jf4 s ALA 414 Cb 0.09 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2jf4 s ALA 414 CO 0.81 -0.51 1.26 0.00 0.00 0.00 0.00 175.76 177.32 2jf4 s ALA 415 N -1.34 2.99 0.28 0.00 0.00 -1.26 -4.87 121.76 117.58 2jf4 s ALA 415 Ca 0.54 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.66 2jf4 s ALA 415 Cb -0.32 -3.47 0.63 0.00 0.00 0.00 0.00 23.12 19.96 2jf4 s ALA 415 CO 0.41 -0.93 1.78 0.87 0.00 0.00 0.00 175.76 177.90 2jf4 h LYS 416 N 2.01 0.75 0.00 0.00 1.79 -1.99 -0.45 116.57 118.68 2jf4 h LYS 416 Ca -0.50 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 57.85 2jf4 h LYS 416 Cb 1.26 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2jf4 h LYS 416 CO 0.60 0.49 -0.37 0.22 -1.08 0.00 0.00 179.45 179.32 2jf4 h ASP 417 N 0.77 0.00 0.60 0.86 3.58 -2.00 -1.89 116.42 118.34 2jf4 h ASP 417 Ca 0.52 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.69 2jf4 h ASP 417 Cb 0.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2jf4 h ASP 417 CO -0.35 0.37 -1.34 0.03 -2.88 0.00 0.00 179.24 175.06 2jf4 h ARG 418 N 0.00 0.22 -0.88 0.28 3.08 -1.63 -2.27 114.38 113.18 2jf4 h ARG 418 Ca -0.00 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 2jf4 h ARG 418 Cb 0.86 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 2jf4 h ARG 418 CO 0.05 1.13 0.46 0.00 -1.07 0.00 0.00 179.97 180.53 2jf4 h ALA 419 N 0.61 1.15 -0.52 0.04 0.00 -0.96 -2.95 119.26 116.63 2jf4 h ALA 419 Ca -0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2jf4 h ALA 419 Cb 1.97 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2jf4 h ALA 419 CO 0.17 0.67 0.01 -0.91 0.00 0.00 0.00 179.25 179.19 2jf4 h ASN 420 N 1.25 0.90 0.00 0.00 2.35 -1.32 -1.83 115.58 116.92 2jf4 h ASN 420 Ca 0.31 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2jf4 h ASN 420 Cb 0.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2jf4 h ASN 420 CO -0.05 0.98 0.00 0.29 -1.65 0.00 0.00 177.43 177.00 2jf4 n LYS 421 N -4.30 0.00 0.00 0.81 5.02 -0.86 -2.05 118.16 116.78 2jf4 n LYS 421 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2jf4 n LYS 421 Cb 0.32 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 2jf4 n LYS 421 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jf4 n ALA 423 N 0.68 0.00 -0.00 7.82 0.00 -0.69 -1.08 120.51 127.24 2jf4 n ALA 423 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2jf4 n ALA 423 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2jf4 n ALA 423 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jf4 h THR 424 N 0.00 1.12 -0.94 0.00 2.02 -1.70 -2.01 112.91 111.40 2jf4 h THR 424 Ca 0.00 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2jf4 h THR 424 Cb 0.00 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2jf4 h THR 424 CO 0.00 0.10 0.61 0.00 0.37 0.00 0.00 175.52 176.61 2jf4 h ALA 425 N 0.90 1.45 0.17 6.16 0.00 -1.39 -0.50 119.26 126.04 2jf4 h ALA 425 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jf4 h ALA 425 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2jf4 h ALA 425 CO -0.00 0.41 -0.08 1.15 0.00 0.00 0.00 179.25 180.73 2jf4 h THR 426 N 1.11 0.91 -0.28 0.00 2.02 -1.80 0.69 112.91 115.56 2jf4 h THR 426 Ca 0.40 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2jf4 h THR 426 Cb 0.15 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2jf4 h THR 426 CO -0.15 0.08 0.18 0.11 0.37 0.00 0.00 175.52 176.12 2jf4 h LYS 427 N -0.39 0.36 -0.43 6.66 1.57 -1.13 0.15 116.57 123.37 2jf4 h LYS 427 Ca -0.02 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2jf4 h LYS 427 Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2jf4 h LYS 427 CO 0.04 0.24 -0.23 1.15 -0.57 0.00 0.00 179.45 180.08 2jf4 h THR 428 N 0.37 1.27 0.00 -0.16 2.02 -1.08 -3.40 112.91 111.94 2jf4 h THR 428 Ca 0.10 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 2jf4 h THR 428 Cb -0.04 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2jf4 h THR 428 CO -0.02 0.47 -1.28 1.41 0.37 0.00 0.00 175.52 176.47 2jf4 n HIS 429 N -4.17 0.00 -0.05 3.16 8.25 0.23 -4.90 115.22 117.74 2jf4 n HIS 429 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 2jf4 n HIS 429 Cb 0.46 -0.20 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 2jf4 n HIS 429 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jf4 n LEU 430 N -2.25 1.11 -4.69 2.41 4.77 -0.49 -4.85 117.00 113.02 2jf4 n LEU 430 Ca -0.07 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 2jf4 n LEU 430 Cb 0.62 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2jf4 n LEU 430 CO 0.08 0.40 1.14 -0.22 -1.33 0.00 0.00 177.39 177.46 2jf4 s LEU 431 N -5.06 4.32 0.29 2.23 2.96 0.42 -0.19 118.68 123.66 2jf4 s LEU 431 Ca -0.09 2.16 0.03 0.00 -0.22 0.00 0.00 54.13 56.01 2jf4 s LEU 431 Cb 0.03 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.10 2jf4 s LEU 431 CO 0.34 -0.73 0.05 -1.10 -1.32 0.00 0.00 176.35 173.59 2jf4 s GLN 432 N 2.38 1.54 0.36 1.98 -1.52 -0.28 -4.94 119.66 119.18 2jf4 s GLN 432 Ca 0.65 -1.83 0.09 0.00 -1.95 0.00 0.00 55.36 52.32 2jf4 s GLN 432 Cb -0.32 -0.70 0.83 0.00 -0.22 0.00 0.00 33.01 32.59 2jf4 s GLN 432 CO 0.27 -0.18 1.88 -1.35 -0.25 0.00 0.00 175.29 175.66 2jf4 h PRO 433 N 2.24 0.65 -0.62 2.91 0.11 -1.77 -2.61 132.00 132.92 2jf4 h PRO 433 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jf4 h PRO 433 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jf4 h PRO 433 CO 0.67 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 2jf4 n GLY 434 N -1.44 2.76 0.00 -0.55 0.00 0.19 -4.70 105.19 101.44 2jf4 n GLY 434 Ca 0.16 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jf4 n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf4 n GLY 435 N 1.13 0.78 3.66 -0.02 0.00 -0.99 -3.79 105.19 105.96 2jf4 n GLY 435 Ca 0.24 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2jf4 n GLY 435 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jf4 s LEU 436 N 0.00 4.10 0.42 0.99 2.96 -1.26 -1.12 118.68 124.76 2jf4 s LEU 436 Ca 0.00 1.35 -0.25 0.00 -0.22 0.00 0.00 54.13 55.01 2jf4 s LEU 436 Cb 0.00 -3.52 -0.08 0.00 0.50 0.00 0.00 46.19 43.09 2jf4 s LEU 436 CO 0.00 -0.66 1.26 0.21 -1.32 0.00 0.00 176.35 175.84 2jf4 s ASN 437 N 1.21 6.25 0.03 3.68 3.84 0.74 -4.40 114.94 126.29 2jf4 s ASN 437 Ca 0.43 2.56 -0.21 0.00 0.21 0.00 0.00 52.86 55.85 2jf4 s ASN 437 Cb -0.15 -2.63 -0.15 0.00 -0.55 0.00 0.00 41.25 37.77 2jf4 s ASN 437 CO 0.06 -0.88 1.32 0.74 -2.79 0.00 0.00 177.10 175.55 2jf4 h THR 438 N 2.28 1.36 -4.21 -5.21 2.02 -1.72 -3.40 112.91 104.03 2jf4 h THR 438 Ca -0.49 -1.31 -0.37 0.00 0.77 0.00 0.00 66.41 65.01 2jf4 h THR 438 Cb 1.25 1.94 -0.10 0.00 -1.74 0.00 0.00 68.15 69.50 2jf4 h THR 438 CO 0.62 0.38 -0.36 0.35 0.37 0.00 0.00 175.52 176.88 2jf4 n THR 439 N -4.59 0.00 -0.03 3.16 -2.24 -1.26 -1.05 114.28 108.27 2jf4 n THR 439 Ca -0.07 -1.88 0.11 0.00 -2.27 0.00 0.00 64.05 59.94 2jf4 n THR 439 Cb 0.35 0.95 0.29 0.00 -2.10 0.00 0.00 70.33 69.82 2jf4 n THR 439 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jf4 n SER 440 N -1.97 3.54 -4.26 3.42 7.64 -1.26 -3.71 113.62 117.02 2jf4 n SER 440 Ca 0.06 -1.99 -0.33 0.00 1.01 0.00 0.00 58.87 57.62 2jf4 n SER 440 Cb 0.47 -0.41 -0.15 0.00 -1.01 0.00 0.00 64.21 63.11 2jf4 n SER 440 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jf4 s VAL 441 N -1.19 2.72 -0.73 0.44 1.01 -1.26 -4.91 120.40 116.48 2jf4 s VAL 441 Ca 0.44 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 2jf4 s VAL 441 Cb 0.23 -2.16 0.12 0.00 0.00 0.00 0.00 36.38 34.58 2jf4 s VAL 441 CO 0.31 0.51 0.89 -0.54 0.00 0.00 0.00 175.10 176.26 2jf4 s LYS 442 N 0.89 3.29 0.04 2.72 1.02 -1.26 -2.21 119.74 124.24 2jf4 s LYS 442 Ca -0.04 -1.51 0.23 0.00 0.02 0.00 0.00 55.97 54.68 2jf4 s LYS 442 Cb -0.15 -4.47 0.09 0.00 -0.52 0.00 0.00 37.83 32.78 2jf4 s LYS 442 CO -0.01 -1.63 1.07 -1.13 -0.92 0.00 0.00 175.35 172.73 2jf4 n SER 443 N 6.36 0.63 0.00 2.83 3.41 -1.26 -4.94 113.62 120.65 2jf4 n SER 443 Ca 0.04 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2jf4 n SER 443 Cb 0.46 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2jf4 n SER 443 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jf4 n GLY 444 N 1.39 1.59 3.94 5.00 0.00 -1.26 -4.76 105.19 111.10 2jf4 n GLY 444 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2jf4 n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jf4 s GLN 445 N -0.37 3.32 0.18 1.61 -1.52 -1.26 -1.19 119.66 120.43 2jf4 s GLN 445 Ca 0.00 -0.30 0.10 0.00 -1.95 0.00 0.00 55.36 53.21 2jf4 s GLN 445 Cb 0.00 -2.57 -0.10 0.00 -0.22 0.00 0.00 33.01 30.12 2jf4 s GLN 445 CO 0.00 -0.08 1.33 -0.56 -0.25 0.00 0.00 175.29 175.73 2jf4 h GLN 446 N 0.51 0.00 -2.75 2.91 3.07 -1.75 -3.34 115.11 113.77 2jf4 h GLN 446 Ca -0.48 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 57.49 2jf4 h GLN 446 Cb 1.23 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.61 2jf4 h GLN 446 CO 0.60 0.80 1.85 0.91 0.09 0.00 0.00 178.83 183.08 2jf4 n TRP 447 N -3.30 2.65 -3.69 0.06 7.02 -0.70 -4.69 117.44 114.79 2jf4 n TRP 447 Ca 0.01 -2.73 -0.07 0.00 -1.02 0.00 0.00 57.50 53.69 2jf4 n TRP 447 Cb 0.86 -1.65 -0.02 0.00 -2.42 0.00 0.00 31.31 28.08 2jf4 n TRP 447 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2jf4 s ASP 448 N -0.16 -0.29 0.38 -0.99 1.01 -1.25 -4.45 116.67 110.92 2jf4 s ASP 448 Ca 0.45 -0.34 -0.24 0.00 0.71 0.00 0.00 52.55 53.13 2jf4 s ASP 448 Cb 0.15 0.56 -0.13 0.00 1.01 0.00 0.00 42.92 44.51 2jf4 s ASP 448 CO -0.06 -0.99 0.72 0.00 0.21 0.00 0.00 175.17 175.05 2jf4 n ALA 449 N -0.42 -1.02 -0.65 5.23 0.00 -0.94 -1.43 120.51 121.28 2jf4 n ALA 449 Ca -0.08 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 2jf4 n ALA 449 Cb 0.61 -1.87 0.16 0.00 0.00 0.00 0.00 19.45 18.35 2jf4 n ALA 449 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jf4 n PRO 450 N 0.53 2.21 -2.94 0.00 -0.04 -1.26 -4.16 135.00 129.33 2jf4 n PRO 450 Ca 0.11 -2.29 -0.40 0.00 -0.04 0.00 0.00 63.50 60.88 2jf4 n PRO 450 Cb 0.37 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 2jf4 n PRO 450 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jf4 s ASN 451 N -0.72 7.35 -0.15 3.54 0.01 -0.51 -0.91 114.94 123.55 2jf4 s ASN 451 Ca 0.43 1.60 -0.00 0.00 -0.71 0.00 0.00 52.86 54.18 2jf4 s ASN 451 Cb 0.36 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 2jf4 s ASN 451 CO 0.09 0.11 -0.14 -0.83 -1.51 0.00 0.00 177.10 174.82 2jf4 s GLY 452 N -0.63 1.50 -0.16 0.66 0.00 0.23 -2.27 107.32 106.65 2jf4 s GLY 452 Ca 0.38 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 2jf4 s GLY 452 CO 0.26 -0.01 -0.08 -0.98 0.00 0.00 0.00 173.10 172.28 2jf4 s TRP 453 N 0.72 2.90 0.26 1.90 0.52 -1.26 -0.99 118.94 123.00 2jf4 s TRP 453 Ca -0.06 -0.62 -0.08 0.00 0.02 0.00 0.00 56.10 55.35 2jf4 s TRP 453 Cb -0.15 -1.94 0.43 0.00 -1.15 0.00 0.00 33.47 30.66 2jf4 s TRP 453 CO 0.01 -0.24 1.59 0.00 0.02 0.00 0.00 176.95 178.33 2jf4 h ALA 454 N 7.03 0.67 -0.78 0.98 0.00 -1.90 -1.78 119.26 123.48 2jf4 h ALA 454 Ca -0.31 0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jf4 h ALA 454 Cb 1.19 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2jf4 h ALA 454 CO 0.59 -0.42 0.51 -1.00 0.00 0.00 0.00 179.25 178.93 2jf4 h PRO 455 N 0.01 0.91 -0.03 0.00 0.13 -1.96 -2.07 132.00 129.00 2jf4 h PRO 455 Ca 0.44 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.39 2jf4 h PRO 455 Cb 0.71 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2jf4 h PRO 455 CO -0.87 0.60 -0.55 -0.07 -0.23 0.00 0.00 178.00 176.88 2jf4 h LEU 456 N 0.94 0.09 -0.73 1.56 3.38 -1.76 -1.57 115.31 117.22 2jf4 h LEU 456 Ca 0.32 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2jf4 h LEU 456 Cb 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jf4 h LEU 456 CO -0.10 0.63 0.04 1.56 0.09 0.00 0.00 178.44 180.66 2jf4 h GLN 457 N 0.06 1.02 -0.07 1.13 1.08 -1.06 -1.79 115.11 115.48 2jf4 h GLN 457 Ca -0.00 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 56.82 2jf4 h GLN 457 Cb 1.00 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2jf4 h GLN 457 CO 0.08 0.97 -0.28 2.35 -0.95 0.00 0.00 178.83 181.00 2jf4 h TRP 458 N 0.94 0.41 -0.45 2.96 2.91 -1.28 -1.73 115.95 119.72 2jf4 h TRP 458 Ca 0.18 -0.18 0.03 0.00 1.13 0.00 0.00 58.89 60.05 2jf4 h TRP 458 Cb 0.49 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 29.04 2jf4 h TRP 458 CO 0.03 0.90 0.24 0.28 -1.03 0.00 0.00 178.44 178.86 2jf4 h VAL 459 N -0.20 1.00 -0.25 2.65 2.07 -1.31 -1.13 116.25 119.08 2jf4 h VAL 459 Ca -0.02 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2jf4 h VAL 459 Cb 0.92 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2jf4 h VAL 459 CO 0.06 0.09 0.07 0.00 0.02 0.00 0.00 177.57 177.81 2jf4 h ALA 460 N 1.22 0.33 -0.29 1.67 0.00 -1.33 0.39 119.26 121.27 2jf4 h ALA 460 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2jf4 h ALA 460 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jf4 h ALA 460 CO -0.12 -0.03 -0.09 1.79 0.00 0.00 0.00 179.25 180.80 2jf4 h THR 461 N 0.24 1.29 -0.49 0.00 1.35 -1.23 -0.64 112.91 113.43 2jf4 h THR 461 Ca 0.08 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 2jf4 h THR 461 Cb 0.25 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2jf4 h THR 461 CO -0.00 0.37 0.27 -0.33 -0.25 0.00 0.00 175.52 175.58 2jf4 h GLU 462 N 0.33 0.67 -0.28 4.72 4.39 -1.21 -1.46 114.58 121.74 2jf4 h GLU 462 Ca 0.07 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2jf4 h GLU 462 Cb 0.59 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2jf4 h GLU 462 CO 0.03 0.52 0.06 0.78 -1.16 0.00 0.00 179.01 179.24 2jf4 h GLY 463 N 0.64 0.32 1.03 -3.84 0.00 -0.87 -1.43 103.07 98.92 2jf4 h GLY 463 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 2jf4 h GLY 463 CO -0.03 -0.00 0.22 1.41 0.00 0.00 0.00 176.54 178.14 2jf4 h LEU 464 N 0.17 0.98 -1.29 3.11 3.38 -0.98 -2.76 115.31 117.92 2jf4 h LEU 464 Ca 0.13 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jf4 h LEU 464 Cb 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2jf4 h LEU 464 CO -0.16 0.93 0.46 1.56 0.09 0.00 0.00 178.44 181.32 2jf4 h GLN 465 N 0.99 0.94 0.00 1.13 1.08 -1.15 -0.00 115.11 118.09 2jf4 h GLN 465 Ca 0.22 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2jf4 h GLN 465 Cb 0.29 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2jf4 h GLN 465 CO -0.01 0.63 0.05 -0.91 -0.95 0.00 0.00 178.83 177.64 2jf4 h ASN 466 N 0.96 0.00 0.00 1.46 2.35 -0.95 -1.48 115.58 117.93 2jf4 h ASN 466 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2jf4 h ASN 466 Cb -0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2jf4 h ASN 466 CO -0.05 0.00 -0.02 -1.22 -1.65 0.00 0.00 177.43 174.49 2jf4 n TYR 467 N -2.92 0.00 -1.07 1.19 4.01 -0.87 -4.98 117.16 112.51 2jf4 n TYR 467 Ca -0.03 -0.83 -0.02 0.00 -0.16 0.00 0.00 57.90 56.86 2jf4 n TYR 467 Cb 0.11 -0.12 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 2jf4 n TYR 467 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jf4 n GLY 468 N -1.15 0.56 2.59 2.72 0.00 -0.56 -4.92 105.19 104.45 2jf4 n GLY 468 Ca 0.11 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2jf4 n GLY 468 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jf4 n GLN 469 N -2.36 3.85 0.03 1.61 1.13 -0.07 -4.74 117.38 116.83 2jf4 n GLN 469 Ca -0.02 -3.07 -0.07 0.00 -1.94 0.00 0.00 57.00 51.89 2jf4 n GLN 469 Cb 0.15 -2.86 0.10 0.00 0.11 0.00 0.00 30.24 27.74 2jf4 n GLN 469 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2jf4 h LYS 470 N 5.23 0.44 0.37 -1.09 1.57 -1.91 -2.72 116.57 118.46 2jf4 h LYS 470 Ca 0.63 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 2jf4 h LYS 470 Cb 0.44 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2jf4 h LYS 470 CO 1.66 0.86 -0.18 0.93 -0.57 0.00 0.00 179.45 182.15 2jf4 h GLU 471 N 0.34 -0.48 -0.68 3.15 4.39 -1.98 -3.04 114.58 116.28 2jf4 h GLU 471 Ca 0.01 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2jf4 h GLU 471 Cb 1.04 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 2jf4 h GLU 471 CO 0.09 -0.26 0.41 0.28 -1.16 0.00 0.00 179.01 178.38 2jf4 h VAL 472 N -0.60 1.19 0.00 3.13 2.07 -1.97 -1.45 116.25 118.63 2jf4 h VAL 472 Ca -0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jf4 h VAL 472 Cb 0.44 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2jf4 h VAL 472 CO 0.08 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.87 2jf4 n ALA 473 N -2.31 0.92 0.00 1.67 0.00 -1.03 -1.47 120.51 118.29 2jf4 n ALA 473 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jf4 n ALA 473 Cb 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2jf4 n ALA 473 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jf4 n ASP 475 N 0.34 0.00 0.01 0.00 8.00 -0.55 -2.35 116.55 122.00 2jf4 n ASP 475 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2jf4 n ASP 475 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2jf4 n ASP 475 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2jf4 h ILE 476 N 0.00 1.04 0.06 0.53 2.04 -1.53 -0.56 117.51 119.09 2jf4 h ILE 476 Ca 0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jf4 h ILE 476 Cb 0.00 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2jf4 h ILE 476 CO 0.00 0.04 -0.03 0.28 0.00 0.00 0.00 178.15 178.44 2jf4 h SER 477 N 0.07 -0.07 -0.49 1.72 0.02 -1.74 -0.48 113.55 112.58 2jf4 h SER 477 Ca 0.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2jf4 h SER 477 Cb 0.02 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2jf4 h SER 477 CO -0.01 -0.04 0.28 -0.50 -1.14 0.00 0.00 176.83 175.43 2jf4 h TRP 478 N -0.10 0.66 -0.08 3.45 4.06 -1.82 0.60 115.95 122.71 2jf4 h TRP 478 Ca -0.01 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2jf4 h TRP 478 Cb 0.08 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.02 2jf4 h TRP 478 CO -0.07 0.47 0.04 0.45 -3.56 0.00 0.00 178.44 175.77 2jf4 h HIS 479 N 0.65 0.11 -0.37 0.49 3.86 -1.02 -1.39 115.15 117.48 2jf4 h HIS 479 Ca 0.17 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2jf4 h HIS 479 Cb 0.02 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2jf4 h HIS 479 CO -0.02 0.18 0.07 0.35 0.86 0.00 0.00 177.93 179.36 2jf4 h PHE 480 N 0.01 0.64 -0.80 2.45 3.57 -0.97 -2.32 116.94 119.53 2jf4 h PHE 480 Ca 0.03 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jf4 h PHE 480 Cb 0.11 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 2jf4 h PHE 480 CO -0.04 0.65 0.48 -0.07 -2.23 0.00 0.00 178.31 177.11 2jf4 h LEU 481 N 0.45 0.96 -0.95 0.59 3.38 -0.87 -0.18 115.31 118.69 2jf4 h LEU 481 Ca 0.11 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2jf4 h LEU 481 Cb 0.35 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2jf4 h LEU 481 CO 0.01 0.75 0.62 0.74 0.09 0.00 0.00 178.44 180.64 2jf4 h THR 482 N 1.10 1.15 0.09 0.22 2.02 -1.21 0.44 112.91 116.72 2jf4 h THR 482 Ca 0.29 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 2jf4 h THR 482 Cb -0.04 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.23 2jf4 h THR 482 CO -0.05 0.22 -0.05 -1.13 0.37 0.00 0.00 175.52 174.88 2jf4 h ASN 483 N 1.19 -0.11 -0.12 4.18 -0.73 -0.89 0.14 115.58 119.24 2jf4 h ASN 483 Ca 0.38 -0.14 0.03 0.00 1.87 0.00 0.00 56.30 58.44 2jf4 h ASN 483 Cb 0.03 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.61 2jf4 h ASN 483 CO -0.13 0.08 -0.07 0.58 -0.37 0.00 0.00 177.43 177.52 2jf4 h VAL 484 N -0.29 0.78 -0.30 2.57 2.07 -0.75 -1.19 116.25 119.14 2jf4 h VAL 484 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2jf4 h VAL 484 Cb 0.24 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2jf4 h VAL 484 CO 0.02 0.00 0.16 -0.61 0.02 0.00 0.00 177.57 177.16 2jf4 h GLN 485 N -0.07 0.31 -0.77 1.57 5.75 -0.08 -1.02 115.11 120.80 2jf4 h GLN 485 Ca 0.07 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2jf4 h GLN 485 Cb 0.18 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 2jf4 h GLN 485 CO -0.17 0.21 0.50 1.25 -2.65 0.00 0.00 178.83 177.97 2jf4 h HIS 486 N 0.32 0.99 -0.46 3.99 2.76 -0.55 0.27 115.15 122.48 2jf4 h HIS 486 Ca 0.12 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 2jf4 h HIS 486 Cb 0.03 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 2jf4 h HIS 486 CO -0.09 0.64 -0.16 1.15 -1.30 0.00 0.00 177.93 178.17 2jf4 h THR 487 N 1.05 1.27 -0.30 6.26 2.02 -1.12 -1.71 112.91 120.38 2jf4 h THR 487 Ca 0.28 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 2jf4 h THR 487 Cb -0.09 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jf4 h THR 487 CO -0.06 0.44 0.06 0.22 0.37 0.00 0.00 175.52 176.56 2jf4 h TYR 488 N 0.79 0.51 -0.99 3.16 3.20 -0.51 0.27 116.97 123.41 2jf4 h TYR 488 Ca 0.12 -0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.05 2jf4 h TYR 488 Cb 0.70 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 38.74 2jf4 h TYR 488 CO 0.04 0.56 0.61 -0.44 -1.64 0.00 0.00 178.16 177.29 2jf4 h ASP 489 N 0.32 0.88 0.15 -2.11 3.32 -0.29 0.21 116.42 118.89 2jf4 h ASP 489 Ca 0.09 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2jf4 h ASP 489 Cb 0.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2jf4 h ASP 489 CO 0.00 0.45 -0.07 0.03 -1.72 0.00 0.00 179.24 177.93 2jf4 h ARG 490 N 0.94 -0.20 0.00 3.56 2.47 -1.04 -3.40 114.38 116.70 2jf4 h ARG 490 Ca 0.50 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 2jf4 h ARG 490 Cb 0.54 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2jf4 h ARG 490 CO -0.28 0.22 -1.04 0.39 0.56 0.00 0.00 179.97 179.82 2jf4 n GLU 491 N -4.91 1.24 -3.24 0.04 -0.58 0.93 -4.99 120.64 109.13 2jf4 n GLU 491 Ca -0.07 -0.04 -0.23 0.00 -0.42 0.00 0.00 57.16 56.40 2jf4 n GLU 491 Cb 0.26 -1.32 0.05 0.00 -0.57 0.00 0.00 31.44 29.85 2jf4 n GLU 491 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jf4 n LYS 492 N -1.57 -5.79 -3.82 3.49 4.01 0.73 -4.99 118.16 110.22 2jf4 n LYS 492 Ca 0.02 0.86 -0.09 0.00 -0.51 0.00 0.00 58.31 58.59 2jf4 n LYS 492 Cb 0.31 -5.78 -0.04 0.00 -0.51 0.00 0.00 35.03 29.01 2jf4 n LYS 492 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2jf4 s LYS 493 N -5.93 1.43 0.00 1.97 -2.85 -1.26 -5.04 119.74 108.06 2jf4 s LYS 493 Ca 0.41 -0.97 0.03 0.00 -1.00 0.00 0.00 55.97 54.43 2jf4 s LYS 493 Cb -0.18 0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2jf4 s LYS 493 CO 0.50 -0.61 -0.04 -0.51 0.10 0.00 0.00 175.35 174.79 2jf4 s LEU 494 N -2.91 3.28 0.43 2.77 1.02 -1.26 -3.82 118.68 118.20 2jf4 s LEU 494 Ca 0.12 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.21 2jf4 s LEU 494 Cb -0.01 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 2jf4 s LEU 494 CO 0.01 0.28 0.04 0.68 0.02 0.00 0.00 176.35 177.38 2jf4 s VAL 495 N -1.02 1.29 0.10 -1.59 -7.23 -1.26 -0.87 120.40 109.81 2jf4 s VAL 495 Ca 0.18 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 2jf4 s VAL 495 Cb -0.11 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 2jf4 s VAL 495 CO 0.08 0.00 1.45 -0.08 -0.31 0.00 0.00 175.10 176.24 2jf4 h GLU 496 N 1.67 0.66 -3.73 4.82 4.81 -1.49 -3.43 114.58 117.90 2jf4 h GLU 496 Ca -0.42 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.42 2jf4 h GLU 496 Cb 1.28 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.53 2jf4 h GLU 496 CO 0.72 0.91 -0.23 -1.59 -0.73 0.00 0.00 179.01 178.09 2jf4 s LYS 497 N -4.51 1.21 0.07 1.92 0.00 -1.26 -4.61 119.74 112.56 2jf4 s LYS 497 Ca -0.13 -1.09 0.08 0.00 0.00 0.00 0.00 55.97 54.83 2jf4 s LYS 497 Cb 0.09 0.41 -0.03 0.00 0.00 0.00 0.00 37.83 38.30 2jf4 s LYS 497 CO 0.81 -0.46 -0.22 0.71 0.00 0.00 0.00 175.35 176.19 2jf4 s TYR 498 N -3.94 1.87 -0.23 1.78 2.02 -0.16 -1.00 117.35 117.70 2jf4 s TYR 498 Ca 0.15 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 2jf4 s TYR 498 Cb 0.02 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 2jf4 s TYR 498 CO -0.01 0.15 1.27 0.34 -1.57 0.00 0.00 175.55 175.72 2jf4 s ASP 499 N -1.47 6.84 0.00 2.29 -1.08 -0.60 0.74 116.67 123.38 2jf4 s ASP 499 Ca 0.08 1.47 0.26 0.00 -0.52 0.00 0.00 52.55 53.83 2jf4 s ASP 499 Cb -0.09 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.50 2jf4 s ASP 499 CO 0.03 -0.89 1.52 1.33 0.52 0.00 0.00 175.17 177.67 2jf4 n VAL 500 N 5.73 0.00 0.24 1.11 0.24 -0.08 -4.02 118.33 121.54 2jf4 n VAL 500 Ca 0.14 -0.10 0.11 0.00 -2.04 0.00 0.00 64.34 62.44 2jf4 n VAL 500 Cb 0.46 0.40 0.58 0.00 -1.47 0.00 0.00 33.84 33.81 2jf4 n VAL 500 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2jf4 h SER 501 N 0.99 0.00 -0.99 -1.34 4.64 -1.92 0.56 113.55 115.49 2jf4 h SER 501 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jf4 h SER 501 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2jf4 h SER 501 CO 0.00 0.19 0.00 0.35 -0.87 0.00 0.00 176.83 176.50 2jf4 n THR 502 N -3.55 0.00 -4.40 2.95 -2.24 -1.26 -4.49 114.28 101.29 2jf4 n THR 502 Ca -0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 2jf4 n THR 502 Cb 0.34 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 2jf4 n THR 502 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jf4 s THR 503 N -1.00 2.18 0.00 4.28 -4.23 -1.26 -3.31 115.64 112.29 2jf4 s THR 503 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2jf4 s THR 503 Cb 0.00 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2jf4 s THR 503 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 2jf4 n GLY 504 N 0.16 0.31 3.24 3.99 0.00 -1.25 -4.93 105.19 106.71 2jf4 n GLY 504 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 2jf4 n GLY 504 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jf4 s THR 505 N -2.01 1.61 0.69 2.61 -4.23 -1.26 -4.36 115.64 108.69 2jf4 s THR 505 Ca 0.00 -1.14 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 2jf4 s THR 505 Cb 0.00 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.45 2jf4 s THR 505 CO 0.00 0.21 1.06 -0.83 -0.54 0.00 0.00 174.62 174.53 2jf4 s GLY 506 N -1.10 1.65 0.47 3.99 0.00 -1.26 -1.56 107.32 109.50 2jf4 s GLY 506 Ca 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 44.72 44.62 2jf4 s GLY 506 CO 0.01 0.21 0.64 0.61 0.00 0.00 0.00 173.10 174.57 2jf4 n GLY 507 N -2.48 -0.49 0.00 0.20 0.00 -0.17 -3.89 105.19 98.35 2jf4 n GLY 507 Ca 0.07 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2jf4 n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf4 n GLY 508 N 0.59 3.36 0.00 -0.02 0.00 -1.26 -4.71 105.19 103.15 2jf4 n GLY 508 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2jf4 n GLY 508 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf4 n GLY 509 N 0.00 0.87 7.00 -0.02 0.00 -1.26 -4.32 105.19 107.46 2jf4 n GLY 509 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2jf4 n GLY 509 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf4 n GLY 510 N 0.98 -1.65 0.53 -0.02 0.00 -0.33 -4.37 105.19 100.34 2jf4 n GLY 510 Ca 0.00 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.81 2jf4 n GLY 510 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jf4 n GLU 511 N -0.00 1.47 -4.04 1.61 0.28 -1.26 -4.91 120.64 113.79 2jf4 n GLU 511 Ca 0.00 -1.07 -0.08 0.00 -0.16 0.00 0.00 57.16 55.86 2jf4 n GLU 511 Cb 0.00 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.29 2jf4 n GLU 511 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jf4 s TYR 512 N -2.26 0.41 0.80 -1.84 -0.85 -1.26 -5.07 117.35 107.27 2jf4 s TYR 512 Ca 0.27 -0.85 -0.11 0.00 -0.52 0.00 0.00 57.07 55.86 2jf4 s TYR 512 Cb 0.20 -0.30 0.08 0.00 0.38 0.00 0.00 41.96 42.31 2jf4 s TYR 512 CO 0.44 -0.33 1.10 -1.25 -1.52 0.00 0.00 175.55 173.99 2jf4 s PRO 513 N -3.11 1.98 0.11 -3.49 0.04 -1.26 -4.79 135.00 124.49 2jf4 s PRO 513 Ca -0.01 1.20 -0.35 0.00 0.04 0.00 0.00 61.00 61.89 2jf4 s PRO 513 Cb 0.02 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 2jf4 s PRO 513 CO -0.07 -1.84 1.57 -0.11 0.04 0.00 0.00 177.00 176.58 2jf4 n LEU 514 N -3.66 2.83 -4.92 -3.56 7.94 -1.26 -4.98 117.00 109.39 2jf4 n LEU 514 Ca 0.09 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.76 2jf4 n LEU 514 Cb 0.53 -1.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 2jf4 n LEU 514 CO 0.53 -0.41 -0.10 -1.10 -1.11 0.00 0.00 177.39 175.20 2jf4 s GLN 515 N 1.21 3.49 0.20 1.96 -1.52 -1.26 -4.99 119.66 118.74 2jf4 s GLN 515 Ca 0.82 -0.36 0.07 0.00 -1.95 0.00 0.00 55.36 53.94 2jf4 s GLN 515 Cb -0.74 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.03 2jf4 s GLN 515 CO 0.42 0.56 0.06 -0.51 -0.25 0.00 0.00 175.29 175.56 2jf4 s ASP 516 N -2.56 5.00 0.00 5.90 1.01 -1.26 -1.15 116.67 123.62 2jf4 s ASP 516 Ca 0.37 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 53.27 2jf4 s ASP 516 Cb -0.13 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.67 2jf4 s ASP 516 CO 0.27 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.32 2jf4 n GLY 517 N -0.42 -0.74 3.00 0.21 0.00 -0.05 -3.38 105.19 103.81 2jf4 n GLY 517 Ca -0.09 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2jf4 n GLY 517 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jf4 s PHE 518 N 0.00 -0.32 0.00 1.61 5.36 -1.25 -4.07 117.98 119.32 2jf4 s PHE 518 Ca 0.00 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2jf4 s PHE 518 Cb 0.00 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 2jf4 s PHE 518 CO 0.00 -0.26 0.39 0.41 -1.46 0.00 0.00 175.22 174.30 2jf4 n GLY 519 N 4.62 -1.36 0.20 13.12 0.00 -0.54 -1.24 105.19 119.99 2jf4 n GLY 519 Ca -0.19 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2jf4 n GLY 519 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2jf4 h TRP 520 N 0.00 0.00 -0.03 1.61 0.09 -1.88 -0.45 115.95 115.29 2jf4 h TRP 520 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2jf4 h TRP 520 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.24 2jf4 h TRP 520 CO -0.34 0.29 0.01 1.15 0.09 0.00 0.00 178.44 179.64 2jf4 h THR 521 N 0.00 1.19 -0.41 0.12 2.02 -1.46 -1.09 112.91 113.28 2jf4 h THR 521 Ca -0.00 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.64 2jf4 h THR 521 Cb 0.90 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 2jf4 h THR 521 CO 0.04 0.15 0.24 0.78 0.37 0.00 0.00 175.52 177.10 2jf4 h ASN 522 N -0.18 0.38 0.02 4.18 4.21 -0.95 0.17 115.58 123.41 2jf4 h ASN 522 Ca 0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.52 2jf4 h ASN 522 Cb 0.24 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2jf4 h ASN 522 CO 0.00 0.28 -0.01 1.23 -1.29 0.00 0.00 177.43 177.64 2jf4 h GLY 523 N 0.48 -0.03 1.14 2.83 0.00 -1.11 -2.20 103.07 104.18 2jf4 h GLY 523 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 2jf4 h GLY 523 CO -0.08 -0.01 0.08 -2.08 0.00 0.00 0.00 176.54 174.45 2jf4 h VAL 524 N -0.22 1.26 -0.07 4.60 2.07 -1.11 -2.64 116.25 120.14 2jf4 h VAL 524 Ca -0.00 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.50 2jf4 h VAL 524 Cb 0.21 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2jf4 h VAL 524 CO 0.00 0.39 -0.06 0.74 0.02 0.00 0.00 177.57 178.66 2jf4 h THR 525 N 0.98 0.82 -0.19 2.57 2.02 -0.60 -3.01 112.91 115.50 2jf4 h THR 525 Ca 0.19 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.40 2jf4 h THR 525 Cb 0.45 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2jf4 h THR 525 CO 0.02 0.00 0.03 -0.07 0.37 0.00 0.00 175.52 175.86 2jf4 h LEU 526 N -0.07 -0.02 -0.14 2.58 3.38 -1.37 0.32 115.31 119.99 2jf4 h LEU 526 Ca 0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jf4 h LEU 526 Cb 0.15 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jf4 h LEU 526 CO -0.12 0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.72 2jf4 n LYS 527 N -5.10 0.00 0.00 1.13 4.76 -1.00 -1.64 118.16 116.31 2jf4 n LYS 527 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2jf4 n LYS 527 Cb 0.09 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 2jf4 n LYS 527 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2jf4 n LEU 529 N -0.23 0.00 0.27 -0.35 7.94 0.11 -2.53 117.00 122.22 2jf4 n LEU 529 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 2jf4 n LEU 529 Cb 0.00 0.00 0.74 0.00 0.53 0.00 0.00 43.42 44.69 2jf4 n LEU 529 CO 0.00 0.00 1.08 0.44 -1.11 0.00 0.00 177.39 177.80 2jf4 h ASP 530 N 0.00 0.00 0.68 1.96 3.32 -1.55 -3.09 116.42 117.73 2jf4 h ASP 530 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2jf4 h ASP 530 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2jf4 h ASP 530 CO 0.00 0.01 -1.45 -0.07 -1.72 0.00 0.00 179.24 176.01 2jf4 h LEU 531 N 0.00 0.00 0.00 1.55 3.38 -1.76 -3.38 115.31 115.10 2jf4 h LEU 531 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jf4 h LEU 531 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jf4 h LEU 531 CO 0.00 0.98 -0.08 0.16 0.09 0.00 0.00 178.44 179.59 2jf4 h ILE 532 N 0.00 0.00 -4.04 1.22 3.07 -1.85 -3.44 117.51 112.47 2jf4 h ILE 532 Ca -0.19 -0.73 -0.69 0.00 1.55 0.00 0.00 64.86 64.80 2jf4 h ILE 532 Cb 1.91 1.68 -0.23 0.00 -0.27 0.00 0.00 36.82 39.91 2jf4 h ILE 532 CO 0.09 0.00 -0.78 0.00 -1.05 0.00 0.00 178.15 176.41 2jf4 n PRO 534 N 2.07 0.22 0.19 0.00 -0.04 -1.26 -4.83 135.00 131.35 2jf4 n PRO 534 Ca -0.17 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 2jf4 n PRO 534 Cb 0.52 -2.40 0.36 0.00 -0.04 0.00 0.00 33.50 31.95 2jf4 n PRO 534 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jf4 h LYS 535 N -0.83 0.00 -0.00 0.54 3.11 -1.97 -2.97 116.57 114.44 2jf4 h LYS 535 Ca -0.46 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.41 2jf4 h LYS 535 Cb 1.30 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.49 2jf4 h LYS 535 CO 0.46 0.38 -0.22 1.49 -2.81 0.00 0.00 179.45 178.74 2jf4 h GLU 536 N 0.00 -0.33 -3.17 1.90 4.81 -2.01 -3.36 114.58 112.42 2jf4 h GLU 536 Ca -0.00 0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.62 2jf4 h GLU 536 Cb 0.69 0.08 -0.41 0.00 0.63 0.00 0.00 28.75 29.74 2jf4 h GLU 536 CO 0.05 -0.22 -0.66 -1.14 -0.73 0.00 0.00 179.01 176.30 2jf4 s GLN 537 N -6.09 1.82 0.56 1.92 -0.44 -1.14 -5.12 119.66 111.18 2jf4 s GLN 537 Ca -0.15 -2.56 -0.19 0.00 -2.50 0.00 0.00 55.36 49.96 2jf4 s GLN 537 Cb 0.09 -2.97 -0.05 0.00 -1.64 0.00 0.00 33.01 28.44 2jf4 s GLN 537 CO 0.66 -1.17 1.13 -1.25 0.50 0.00 0.00 175.29 175.16 2jf4 s PRO 538 N -0.31 3.27 -0.04 1.67 0.04 -1.13 -4.09 135.00 134.41 2jf4 s PRO 538 Ca 0.19 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2jf4 s PRO 538 Cb -0.20 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2jf4 s PRO 538 CO -0.04 -0.91 -0.01 0.00 0.04 0.00 0.00 177.00 176.08 2jf4 n ASP 540 N 1.79 0.54 -4.20 0.00 9.92 -1.26 -4.89 116.55 118.44 2jf4 n ASP 540 Ca -0.17 -0.37 -0.14 0.00 -0.53 0.00 0.00 54.79 53.58 2jf4 n ASP 540 Cb 0.53 1.24 -0.10 0.00 -0.64 0.00 0.00 41.12 42.15 2jf4 n ASP 540 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2jf4 s ASN 541 N -3.86 1.55 -0.05 -2.24 0.01 -1.26 -1.70 114.94 107.38 2jf4 s ASN 541 Ca 0.01 -0.91 -0.30 0.00 -0.71 0.00 0.00 52.86 50.95 2jf4 s ASN 541 Cb 0.15 0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.77 2jf4 s ASN 541 CO 0.86 -0.31 1.40 -0.69 -1.51 0.00 0.00 177.10 176.84 2jf4 s VAL 542 N -2.91 3.85 0.68 1.60 1.01 -1.26 -5.00 120.40 118.37 2jf4 s VAL 542 Ca 0.10 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 2jf4 s VAL 542 Cb 0.00 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2jf4 s VAL 542 CO -0.00 -0.04 1.06 -2.16 0.00 0.00 0.00 175.10 173.96 2jf4 s PRO 543 N 2.86 3.09 0.28 2.72 0.04 -1.26 -4.97 135.00 137.76 2jf4 s PRO 543 Ca 0.63 0.69 0.24 0.00 0.04 0.00 0.00 61.00 62.60 2jf4 s PRO 543 Cb -0.29 -2.03 0.48 0.00 0.04 0.00 0.00 34.50 32.70 2jf4 s PRO 543 CO 0.24 -0.92 1.57 0.00 0.04 0.00 0.00 177.00 177.93 2jf4 h ALA 544 N -0.58 0.89 -4.19 8.56 0.00 -2.04 -3.44 119.26 118.46 2jf4 h ALA 544 Ca -0.45 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 2jf4 h ALA 544 Cb 1.22 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 2jf4 h ALA 544 CO 0.61 0.00 -0.88 0.99 0.00 0.00 0.00 179.25 179.97 2jf4 s THR 545 N -3.18 2.01 0.13 0.00 2.01 -1.26 -5.11 115.64 110.23 2jf4 s THR 545 Ca 0.07 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.71 2jf4 s THR 545 Cb 0.09 -1.69 -0.07 0.00 0.01 0.00 0.00 72.50 70.84 2jf4 s THR 545 CO 0.66 0.56 1.28 -0.13 -0.69 0.00 0.00 174.62 176.31 2jf4 s ARG 546 N -0.29 4.40 0.00 4.92 0.52 -1.26 -5.16 118.95 122.08 2jf4 s ARG 546 Ca 0.01 1.94 0.32 0.00 -0.52 0.00 0.00 55.73 57.48 2jf4 s ARG 546 Cb -0.12 -3.26 1.83 0.00 0.52 0.00 0.00 34.95 33.91 2jf4 s ARG 546 CO 0.02 -0.28 2.19 -0.35 0.02 0.00 0.00 175.30 176.89