#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4k s SER 3 N 0.00 4.23 0.33 4.39 1.04 -1.26 -4.90 113.70 117.54 3a4k s SER 3 Ca 0.00 1.19 0.04 0.00 0.48 0.00 0.00 55.95 57.65 3a4k s SER 3 Cb 0.00 -1.87 0.58 0.00 0.10 0.00 0.00 66.02 64.83 3a4k s SER 3 CO 0.00 -2.12 1.87 0.00 0.98 0.00 0.00 173.24 173.97 3a4k h ALA 4 N -1.19 1.36 0.03 5.32 0.00 -1.92 -2.58 119.26 120.28 3a4k h ALA 4 Ca -0.48 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.26 3a4k h ALA 4 Cb 1.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3a4k h ALA 4 CO 0.60 0.45 -0.19 1.25 0.00 0.00 0.00 179.25 181.36 3a4k h LEU 5 N 0.55 -0.55 -0.92 0.00 5.85 -1.92 -0.94 115.31 117.37 3a4k h LEU 5 Ca 0.12 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3a4k h LEU 5 Cb 0.31 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 3a4k h LEU 5 CO 0.01 -0.26 0.58 -0.33 -0.34 0.00 0.00 178.44 178.10 3a4k h GLU 6 N -0.33 1.01 -0.26 1.25 5.08 -1.85 0.15 114.58 119.63 3a4k h GLU 6 Ca 0.05 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3a4k h GLU 6 Cb 0.38 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3a4k h GLU 6 CO -0.15 0.67 0.16 0.87 -1.00 0.00 0.00 179.01 179.55 3a4k h LYS 7 N 1.04 0.36 -0.33 2.33 1.57 -1.27 -0.98 116.57 119.28 3a4k h LYS 7 Ca 0.40 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 3a4k h LYS 7 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3a4k h LYS 7 CO -0.18 0.29 0.17 1.25 -0.57 0.00 0.00 179.45 180.40 3a4k h LEU 8 N 0.33 0.25 -0.80 2.94 5.85 -0.33 0.64 115.31 124.19 3a4k h LEU 8 Ca 0.09 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3a4k h LEU 8 Cb 0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3a4k h LEU 8 CO -0.02 0.19 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.04 3a4k h LEU 9 N 0.35 0.73 -0.32 2.25 3.38 -0.54 0.22 115.31 121.38 3a4k h LEU 9 Ca 0.14 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 3a4k h LEU 9 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3a4k h LEU 9 CO -0.09 0.90 -0.84 0.77 0.09 0.00 0.00 178.44 179.26 3a4k h SER 10 N 0.66 0.27 -0.04 -0.43 4.64 -0.94 -0.46 113.55 117.26 3a4k h SER 10 Ca 0.10 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3a4k h SER 10 Cb 0.64 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 3a4k h SER 10 CO 0.04 1.00 -0.20 0.25 -0.87 0.00 0.00 176.83 177.05 3a4k h LEU 11 N 0.13 -0.59 -0.61 5.97 5.85 -0.48 -0.49 115.31 125.08 3a4k h LEU 11 Ca -0.04 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3a4k h LEU 11 Cb 1.46 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.67 3a4k h LEU 11 CO 0.13 -0.26 0.24 0.40 -0.34 0.00 0.00 178.44 178.61 3a4k h ILE 12 N -0.30 0.79 -0.50 4.05 2.04 -0.44 -1.99 117.51 121.16 3a4k h ILE 12 Ca 0.07 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3a4k h ILE 12 Cb 0.39 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3a4k h ILE 12 CO -0.21 0.08 0.16 -0.08 0.00 0.00 0.00 178.15 178.10 3a4k h GLU 13 N 0.44 0.31 0.00 2.37 4.57 -0.85 -2.00 114.58 119.42 3a4k h GLU 13 Ca 0.31 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 3a4k h GLU 13 Cb 0.36 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3a4k h GLU 13 CO -0.29 0.21 0.00 0.09 -1.18 0.00 0.00 179.01 177.84 3a4k n ASN 14 N -5.03 0.00 -1.26 1.04 3.02 -0.21 -3.27 115.26 109.54 3a4k n ASN 14 Ca 0.05 0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.74 3a4k n ASN 14 Cb 0.22 -0.28 0.29 0.00 -0.61 0.00 0.00 39.78 39.40 3a4k n ASN 14 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3a4k n LEU 15 N -1.28 3.69 -0.27 3.41 4.77 -0.75 -4.52 117.00 122.06 3a4k n LEU 15 Ca 0.09 -1.77 0.05 0.00 -0.03 0.00 0.00 56.01 54.34 3a4k n LEU 15 Cb 0.14 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.01 3a4k n LEU 15 CO 0.13 0.89 1.06 0.74 -1.33 0.00 0.00 177.39 178.88 3a4k h THR 16 N 4.24 0.74 -0.44 -5.08 2.02 -1.66 -2.32 112.91 110.41 3a4k h THR 16 Ca 0.00 -0.19 -0.22 0.00 0.77 0.00 0.00 66.41 66.78 3a4k h THR 16 Cb 0.96 0.14 -0.13 0.00 -1.74 0.00 0.00 68.15 67.38 3a4k h THR 16 CO 0.00 0.10 0.27 0.59 0.37 0.00 0.00 175.52 176.85 3a4k n ASN 17 N -4.92 3.34 -4.33 4.18 5.03 -1.26 -4.89 115.26 112.41 3a4k n ASN 17 Ca 0.14 -2.72 -0.26 0.00 0.87 0.00 0.00 54.58 52.62 3a4k n ASN 17 Cb 0.38 -0.65 -0.13 0.00 -1.02 0.00 0.00 39.78 38.36 3a4k n ASN 17 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3a4k s GLN 18 N -1.57 1.23 0.52 3.52 -0.21 -0.87 -5.12 119.66 117.16 3a4k s GLN 18 Ca 0.26 -1.24 -0.23 0.00 0.02 0.00 0.00 55.36 54.18 3a4k s GLN 18 Cb 0.22 -1.58 -0.06 0.00 1.00 0.00 0.00 33.01 32.59 3a4k s GLN 18 CO 0.05 0.37 1.36 -1.21 -2.12 0.00 0.00 175.29 173.74 3a4k s GLU 19 N -2.00 3.30 0.24 2.91 0.41 -1.26 -4.80 118.70 117.50 3a4k s GLU 19 Ca 0.10 2.24 -0.05 0.00 -0.41 0.00 0.00 54.97 56.84 3a4k s GLU 19 Cb -0.10 -2.36 0.34 0.00 -1.78 0.00 0.00 34.13 30.23 3a4k s GLU 19 CO 0.05 -1.06 1.84 0.35 -0.49 0.00 0.00 175.26 175.95 3a4k h PHE 20 N 1.69 0.93 -0.64 1.61 3.57 -1.98 0.93 116.94 123.06 3a4k h PHE 20 Ca -0.51 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 3a4k h PHE 20 Cb 1.29 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 3a4k h PHE 20 CO 0.47 0.45 0.39 -0.22 -2.23 0.00 0.00 178.31 177.17 3a4k h LYS 21 N 0.90 0.86 -0.24 1.11 3.64 -1.99 0.55 116.57 121.41 3a4k h LYS 21 Ca 0.37 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3a4k h LYS 21 Cb 0.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3a4k h LYS 21 CO -0.19 0.61 0.09 1.96 -2.27 0.00 0.00 179.45 179.65 3a4k h GLN 22 N 0.86 0.36 -0.89 1.90 7.50 -1.64 -0.94 115.11 122.27 3a4k h GLN 22 Ca 0.23 -0.07 0.11 0.00 0.50 0.00 0.00 58.65 59.42 3a4k h GLN 22 Cb -0.03 -0.06 -0.08 0.00 0.05 0.00 0.00 27.48 27.36 3a4k h GLN 22 CO -0.04 0.42 0.52 0.00 -1.50 0.00 0.00 178.83 178.22 3a4k h ALA 23 N 0.93 1.30 -0.44 3.87 0.00 -0.70 -1.26 119.26 122.95 3a4k h ALA 23 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3a4k h ALA 23 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3a4k h ALA 23 CO -0.01 0.12 0.08 1.15 0.00 0.00 0.00 179.25 180.59 3a4k h THR 24 N 0.84 1.24 -0.15 0.00 2.02 -0.69 -1.45 112.91 114.72 3a4k h THR 24 Ca 0.44 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3a4k h THR 24 Cb 0.44 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3a4k h THR 24 CO -0.27 0.31 -0.11 0.78 0.37 0.00 0.00 175.52 176.60 3a4k h ASN 25 N 0.59 0.22 -0.42 4.18 2.35 -0.23 0.73 115.58 123.01 3a4k h ASN 25 Ca 0.13 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3a4k h ASN 25 Cb 0.37 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3a4k h ASN 25 CO 0.01 0.36 -0.28 0.28 -1.65 0.00 0.00 177.43 176.14 3a4k h SER 26 N 0.22 0.99 -0.70 5.81 0.02 -0.91 -1.45 113.55 117.54 3a4k h SER 26 Ca 0.05 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 3a4k h SER 26 Cb 0.34 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3a4k h SER 26 CO 0.02 1.20 0.24 -0.07 -1.14 0.00 0.00 176.83 177.08 3a4k h LEU 27 N 0.80 1.00 -0.44 5.07 3.38 -0.51 -1.48 115.31 123.14 3a4k h LEU 27 Ca 0.09 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3a4k h LEU 27 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3a4k h LEU 27 CO 0.08 0.93 0.28 0.40 0.09 0.00 0.00 178.44 180.22 3a4k h ILE 28 N 1.02 1.13 -0.15 1.22 2.04 -0.67 -1.65 117.51 120.44 3a4k h ILE 28 Ca 0.23 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3a4k h ILE 28 Cb 0.27 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3a4k h ILE 28 CO -0.01 0.13 -0.13 -1.28 0.00 0.00 0.00 178.15 176.86 3a4k h SER 29 N 0.59 -0.41 -0.36 1.72 0.87 -0.84 -0.61 113.55 114.52 3a4k h SER 29 Ca 0.16 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3a4k h SER 29 Cb -0.04 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3a4k h SER 29 CO -0.03 -0.17 0.19 0.15 -0.53 0.00 0.00 176.83 176.44 3a4k h PHE 30 N -0.14 0.50 -0.03 2.24 3.57 -1.09 -3.07 116.94 118.91 3a4k h PHE 30 Ca 0.10 -0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.33 3a4k h PHE 30 Cb 0.29 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 38.89 3a4k h PHE 30 CO -0.26 0.40 -0.96 0.82 -2.23 0.00 0.00 178.31 176.08 3a4k h ILE 31 N 0.45 1.29 0.00 1.41 2.04 -1.13 -3.21 117.51 118.35 3a4k h ILE 31 Ca 0.13 -2.17 -0.02 0.00 1.00 0.00 0.00 64.86 63.79 3a4k h ILE 31 Cb 0.07 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3a4k h ILE 31 CO -0.02 0.67 -0.09 1.88 0.00 0.00 0.00 178.15 180.60 3a4k h TYR 32 N 0.39 0.00 0.00 1.37 -1.99 -1.14 -2.46 116.97 113.15 3a4k h TYR 32 Ca -0.11 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.59 3a4k h TYR 32 Cb 1.61 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.34 3a4k h TYR 32 CO 0.10 0.09 -0.13 0.87 -0.00 0.00 0.00 178.16 179.09 3a4k h LYS 33 N 0.00 0.00 -7.05 4.88 1.57 -1.54 -3.47 116.57 110.96 3a4k h LYS 33 Ca -0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3a4k h LYS 33 Cb 0.43 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.86 3a4k h LYS 33 CO 0.01 0.13 0.55 -0.51 -0.57 0.00 0.00 179.45 179.06 3a4k s LEU 34 N -6.28 3.82 0.83 2.94 1.43 -0.93 -5.02 118.68 115.46 3a4k s LEU 34 Ca 0.06 2.59 -0.07 0.00 -1.03 0.00 0.00 54.13 55.68 3a4k s LEU 34 Cb 0.06 -4.36 0.16 0.00 0.03 0.00 0.00 46.19 42.07 3a4k s LEU 34 CO 0.69 -1.49 1.14 0.54 0.23 0.00 0.00 176.35 177.45 3a4k s ASN 35 N -1.20 3.80 0.25 2.29 2.20 -1.26 -4.79 114.94 116.23 3a4k s ASN 35 Ca 0.72 -0.09 -0.04 0.00 -0.94 0.00 0.00 52.86 52.50 3a4k s ASN 35 Cb -0.36 -0.13 0.37 0.00 -2.00 0.00 0.00 41.25 39.13 3a4k s ASN 35 CO 0.42 -2.25 1.83 -0.09 -2.94 0.00 0.00 177.10 174.07 3a4k h ARG 36 N -1.02 0.87 -0.61 3.55 2.43 -1.99 0.43 114.38 118.04 3a4k h ARG 36 Ca -0.40 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 3a4k h ARG 36 Cb 1.25 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3a4k h ARG 36 CO 0.39 0.57 0.07 -0.91 -1.51 0.00 0.00 179.97 178.58 3a4k h ASN 37 N 0.89 0.97 -0.51 -3.80 -0.26 -1.98 -0.30 115.58 110.59 3a4k h ASN 37 Ca 0.39 -0.24 -0.10 0.00 -0.56 0.00 0.00 56.30 55.80 3a4k h ASN 37 Cb 0.27 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 3a4k h ASN 37 CO -0.21 0.99 -0.06 -0.33 -1.06 0.00 0.00 177.43 176.76 3a4k h GLU 38 N 0.94 0.94 0.16 0.81 5.08 -1.74 -0.74 114.58 120.03 3a4k h GLU 38 Ca 0.18 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3a4k h GLU 38 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3a4k h GLU 38 CO 0.02 0.99 -0.08 0.28 -1.00 0.00 0.00 179.01 179.21 3a4k h VAL 39 N 0.80 0.83 -0.48 3.13 2.07 -0.67 0.16 116.25 122.09 3a4k h VAL 39 Ca 0.14 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3a4k h VAL 39 Cb 0.60 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 3a4k h VAL 39 CO 0.04 0.00 -0.21 0.40 0.02 0.00 0.00 177.57 177.81 3a4k h ILE 40 N -0.22 0.36 -0.64 4.57 2.04 -1.05 0.38 117.51 122.95 3a4k h ILE 40 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3a4k h ILE 40 Cb 0.17 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3a4k h ILE 40 CO 0.03 0.00 0.39 -0.08 0.00 0.00 0.00 178.15 178.49 3a4k h GLU 41 N -0.11 0.74 -0.18 2.37 4.81 -0.79 -1.71 114.58 119.72 3a4k h GLU 41 Ca 0.23 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 3a4k h GLU 41 Cb 0.46 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3a4k h GLU 41 CO -0.55 0.49 -0.64 1.25 -0.73 0.00 0.00 179.01 178.83 3a4k h LEU 42 N 0.77 0.73 -0.75 1.64 5.85 0.14 -2.28 115.31 121.40 3a4k h LEU 42 Ca 0.26 -0.43 0.13 0.00 0.84 0.00 0.00 57.88 58.68 3a4k h LEU 42 Cb 0.03 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 3a4k h LEU 42 CO -0.11 1.18 0.33 0.58 -0.34 0.00 0.00 178.44 180.08 3a4k h VAL 43 N 0.47 0.72 -0.12 1.05 2.07 0.10 0.10 116.25 120.65 3a4k h VAL 43 Ca -0.01 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3a4k h VAL 43 Cb 1.22 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3a4k h VAL 43 CO 0.12 0.09 -0.18 0.03 0.02 0.00 0.00 177.57 177.66 3a4k h ARG 44 N 0.51 0.19 0.08 1.57 3.08 -1.26 -3.25 114.38 115.30 3a4k h ARG 44 Ca 0.40 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 60.12 3a4k h ARG 44 Cb 0.55 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3a4k h ARG 44 CO -0.36 0.37 -1.37 0.77 -1.07 0.00 0.00 179.97 178.32 3a4k h SER 45 N 0.18 0.27 1.00 7.04 0.02 -0.64 -3.41 113.55 118.01 3a4k h SER 45 Ca 0.03 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3a4k h SER 45 Cb 0.43 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3a4k h SER 45 CO 0.03 1.28 -0.12 -0.29 -1.14 0.00 0.00 176.83 176.59 3a4k h ILE 46 N 0.05 0.30 0.00 3.27 6.09 -0.88 -2.88 117.51 123.46 3a4k h ILE 46 Ca -0.17 -0.84 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 3a4k h ILE 46 Cb 1.95 1.66 0.00 0.00 0.47 0.00 0.00 36.82 40.90 3a4k h ILE 46 CO 0.15 0.12 0.00 0.61 -3.07 0.00 0.00 178.15 175.96 3a4k n GLY 47 N 0.12 -1.29 3.20 8.18 0.00 -1.26 -4.50 105.19 109.65 3a4k n GLY 47 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3a4k n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4k s ILE 48 N -3.01 3.04 0.23 -0.61 1.01 -1.09 -2.04 121.20 118.72 3a4k s ILE 48 Ca 0.11 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 3a4k s ILE 48 Cb 0.14 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 3a4k s ILE 48 CO 0.42 0.05 1.27 -0.76 0.00 0.00 0.00 174.94 175.92 3a4k s LEU 49 N 1.31 4.43 0.39 2.97 1.43 -0.90 -4.93 118.68 123.40 3a4k s LEU 49 Ca -0.02 2.41 -0.26 0.00 -1.03 0.00 0.00 54.13 55.23 3a4k s LEU 49 Cb -0.18 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 3a4k s LEU 49 CO -0.02 -0.47 1.25 -2.84 0.23 0.00 0.00 176.35 174.49 3a4k s PRO 50 N -0.52 4.05 0.56 1.29 0.02 -1.26 -4.21 135.00 134.94 3a4k s PRO 50 Ca 0.54 2.04 0.28 0.00 0.02 0.00 0.00 61.00 63.87 3a4k s PRO 50 Cb -0.36 -2.77 1.68 0.00 0.02 0.00 0.00 34.50 33.07 3a4k s PRO 50 CO 0.41 -0.38 2.20 0.93 -0.33 0.00 0.00 177.00 179.82 3a4k h GLU 51 N 2.76 0.00 0.00 5.54 4.39 -1.95 -2.68 114.58 122.64 3a4k h GLU 51 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3a4k h GLU 51 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3a4k h GLU 51 CO 0.63 0.04 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 3a4k h ALA 52 N 1.96 1.00 -2.66 3.43 0.00 -1.93 -3.42 119.26 117.63 3a4k h ALA 52 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3a4k h ALA 52 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3a4k h ALA 52 CO 0.01 0.00 0.12 0.42 0.00 0.00 0.00 179.25 179.79 3a4k s ILE 53 N -3.24 5.03 0.14 0.00 1.01 -1.01 -5.04 121.20 118.09 3a4k s ILE 53 Ca 0.07 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.91 3a4k s ILE 53 Cb 0.10 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 3a4k s ILE 53 CO 0.54 0.23 1.26 -0.75 0.00 0.00 0.00 174.94 176.22 3a4k s LYS 54 N 0.89 4.42 0.26 2.79 2.36 -1.26 -4.92 119.74 124.28 3a4k s LYS 54 Ca 0.38 1.93 -0.30 0.00 -2.55 0.00 0.00 55.97 55.42 3a4k s LYS 54 Cb -0.18 -3.26 -0.13 0.00 -1.05 0.00 0.00 37.83 33.21 3a4k s LYS 54 CO 0.18 -0.23 1.37 -2.30 1.55 0.00 0.00 175.35 175.92 3a4k n PRO 55 N 3.15 2.02 -0.74 4.03 -0.02 -1.26 -2.59 135.00 139.59 3a4k n PRO 55 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3a4k n PRO 55 Cb 0.44 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3a4k n PRO 55 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3a4k n SER 56 N 1.85 0.00 -4.81 2.55 7.64 -1.26 -5.01 113.62 114.58 3a4k n SER 56 Ca 0.10 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 3a4k n SER 56 Cb 0.32 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.65 3a4k n SER 56 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a4k s SER 57 N -3.26 3.74 0.13 6.43 1.04 -1.07 -4.94 113.70 115.77 3a4k s SER 57 Ca 0.00 0.96 -0.14 0.00 0.48 0.00 0.00 55.95 57.25 3a4k s SER 57 Cb 0.00 -1.53 -0.01 0.00 0.10 0.00 0.00 66.02 64.58 3a4k s SER 57 CO 0.00 -2.41 1.58 0.74 0.98 0.00 0.00 173.24 174.13 3a4k h THR 58 N -1.40 1.26 -0.75 2.02 2.02 -1.95 -2.54 112.91 111.58 3a4k h THR 58 Ca -0.50 -1.03 0.15 0.00 0.77 0.00 0.00 66.41 65.80 3a4k h THR 58 Cb 1.33 1.07 -0.10 0.00 -1.74 0.00 0.00 68.15 68.71 3a4k h THR 58 CO 0.62 0.35 0.24 1.56 0.37 0.00 0.00 175.52 178.67 3a4k h GLN 59 N 0.61 0.34 -0.74 6.66 4.20 -1.93 0.45 115.11 124.69 3a4k h GLN 59 Ca 0.12 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.86 3a4k h GLN 59 Cb 0.49 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 3a4k h GLN 59 CO 0.02 0.23 0.45 1.49 -0.67 0.00 0.00 178.83 180.35 3a4k h GLU 60 N 0.35 0.81 -0.24 1.46 4.81 -1.73 0.08 114.58 120.12 3a4k h GLU 60 Ca 0.42 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.46 3a4k h GLU 60 Cb 0.68 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3a4k h GLU 60 CO -0.46 0.54 -0.43 0.87 -0.73 0.00 0.00 179.01 178.80 3a4k h LYS 61 N 0.84 0.60 -0.60 1.92 1.57 -0.71 -0.57 116.57 119.61 3a4k h LYS 61 Ca 0.32 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3a4k h LYS 61 Cb 0.13 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3a4k h LYS 61 CO -0.16 0.91 0.22 -0.07 -0.57 0.00 0.00 179.45 179.78 3a4k h LEU 62 N 0.49 0.86 -0.76 2.94 3.38 0.11 -0.77 115.31 121.56 3a4k h LEU 62 Ca 0.04 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3a4k h LEU 62 Cb 0.94 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3a4k h LEU 62 CO 0.08 0.82 0.25 0.15 0.09 0.00 0.00 178.44 179.83 3a4k h PHE 63 N 0.85 1.21 0.02 1.13 3.57 -0.81 0.10 116.94 123.01 3a4k h PHE 63 Ca 0.20 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3a4k h PHE 63 Cb 0.25 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3a4k h PHE 63 CO 0.02 0.95 -0.01 1.03 -2.23 0.00 0.00 178.31 178.06 3a4k h SER 64 N 1.12 -0.03 -0.51 0.41 0.87 -1.04 -2.08 113.55 112.29 3a4k h SER 64 Ca 0.25 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3a4k h SER 64 Cb 0.30 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3a4k h SER 64 CO -0.01 -0.01 0.34 0.50 -0.53 0.00 0.00 176.83 177.12 3a4k h LYS 65 N -0.04 0.58 -0.46 2.24 1.63 -0.91 -0.06 116.57 119.56 3a4k h LYS 65 Ca -0.00 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 3a4k h LYS 65 Cb 0.03 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 3a4k h LYS 65 CO 0.00 0.39 0.02 0.00 -3.45 0.00 0.00 179.45 176.41 3a4k h ALA 66 N 1.70 1.17 -0.20 5.00 0.00 -0.56 -0.09 119.26 126.28 3a4k h ALA 66 Ca 0.20 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3a4k h ALA 66 Cb 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3a4k h ALA 66 CO -0.05 0.54 -0.11 0.78 0.00 0.00 0.00 179.25 180.41 3a4k h GLY 67 N 0.95 0.05 0.58 0.00 0.00 -0.35 0.22 103.07 104.51 3a4k h GLY 67 Ca 0.14 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.69 3a4k h GLY 67 CO 0.01 -0.13 0.38 -0.55 0.00 0.00 0.00 176.54 176.25 3a4k h ASP 68 N -0.10 0.53 -0.18 0.19 3.32 -0.71 -1.16 116.42 118.31 3a4k h ASP 68 Ca 0.11 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3a4k h ASP 68 Cb 0.26 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3a4k h ASP 68 CO -0.26 0.32 -0.15 0.40 -1.72 0.00 0.00 179.24 177.83 3a4k h ILE 69 N 0.67 1.33 -0.53 0.35 2.04 -0.68 -0.24 117.51 120.44 3a4k h ILE 69 Ca 0.33 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 3a4k h ILE 69 Cb 0.28 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3a4k h ILE 69 CO -0.22 0.39 0.11 1.62 0.00 0.00 0.00 178.15 180.04 3a4k h VAL 70 N 0.08 1.23 -0.39 1.67 3.04 -0.49 -0.99 116.25 120.39 3a4k h VAL 70 Ca 0.03 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.86 3a4k h VAL 70 Cb 0.68 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 3a4k h VAL 70 CO 0.04 0.31 0.17 0.25 -1.01 0.00 0.00 177.57 177.33 3a4k h LEU 71 N 0.79 0.53 -0.55 3.16 5.85 -1.02 0.29 115.31 124.35 3a4k h LEU 71 Ca 0.17 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3a4k h LEU 71 Cb 0.32 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3a4k h LEU 71 CO 0.00 0.53 0.35 0.00 -0.34 0.00 0.00 178.44 178.98 3a4k h ALA 72 N 1.02 0.70 -0.60 1.25 0.00 -0.51 -0.31 119.26 120.81 3a4k h ALA 72 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a4k h ALA 72 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3a4k h ALA 72 CO -0.01 0.10 0.36 -0.22 0.00 0.00 0.00 179.25 179.48 3a4k h LYS 73 N 0.71 0.82 -0.36 0.00 1.63 -0.91 -0.07 116.57 118.38 3a4k h LYS 73 Ca 0.21 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3a4k h LYS 73 Cb -0.05 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 3a4k h LYS 73 CO -0.06 0.59 0.14 0.00 -3.45 0.00 0.00 179.45 176.67 3a4k h ALA 74 N 1.18 0.43 -0.96 5.00 0.00 -0.21 -1.01 119.26 123.68 3a4k h ALA 74 Ca 0.21 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3a4k h ALA 74 Cb -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3a4k h ALA 74 CO -0.04 -0.25 0.62 0.74 0.00 0.00 0.00 179.25 180.32 3a4k h PHE 75 N 0.30 1.10 -0.74 0.00 0.04 -0.50 -1.98 116.94 115.16 3a4k h PHE 75 Ca 0.16 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 3a4k h PHE 75 Cb 0.12 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 3a4k h PHE 75 CO -0.13 0.53 0.25 1.96 -0.60 0.00 0.00 178.31 180.32 3a4k h GLN 76 N 1.04 1.13 0.00 1.51 4.20 -0.39 -1.37 115.11 121.23 3a4k h GLN 76 Ca 0.43 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3a4k h GLN 76 Cb 0.30 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3a4k h GLN 76 CO -0.19 0.95 0.00 -0.07 -0.67 0.00 0.00 178.83 178.85 3a4k h LEU 77 N 1.08 0.00 -0.85 1.46 3.38 -0.49 -0.37 115.31 119.52 3a4k h LEU 77 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3a4k h LEU 77 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a4k h LEU 77 CO -0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.70 3a4k n LEU 78 N -3.06 1.29 -1.16 1.67 4.77 -0.77 -4.79 117.00 114.96 3a4k n LEU 78 Ca -0.02 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 3a4k n LEU 78 Cb 0.11 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3a4k n LEU 78 CO 0.21 0.25 0.02 -3.20 -1.33 0.00 0.00 177.39 173.34 3a4k n ASN 79 N 0.04 -2.98 -4.68 -1.43 5.15 -0.15 -0.00 115.26 111.21 3a4k n ASN 79 Ca 0.17 -0.11 -0.25 0.00 -0.60 0.00 0.00 54.58 53.80 3a4k n ASN 79 Cb 0.29 -1.77 -0.07 0.00 -0.53 0.00 0.00 39.78 37.70 3a4k n ASN 79 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3a4k s LEU 80 N -2.45 3.35 -0.19 1.20 1.02 -0.59 -4.20 118.68 116.82 3a4k s LEU 80 Ca 0.11 -0.45 -0.24 0.00 0.02 0.00 0.00 54.13 53.58 3a4k s LEU 80 Cb -0.05 -1.95 -0.02 0.00 0.02 0.00 0.00 46.19 44.20 3a4k s LEU 80 CO 0.14 0.05 0.77 0.20 0.02 0.00 0.00 176.35 177.53 3a4k s ASN 81 N -3.28 6.86 -0.09 2.29 0.01 0.60 -3.79 114.94 117.53 3a4k s ASN 81 Ca 0.29 1.05 -0.12 0.00 -0.71 0.00 0.00 52.86 53.37 3a4k s ASN 81 Cb -0.08 -2.42 0.03 0.00 0.41 0.00 0.00 41.25 39.19 3a4k s ASN 81 CO 0.20 -0.38 0.33 -0.55 -1.51 0.00 0.00 177.10 175.18 3a4k s SER 82 N 1.20 -0.30 0.04 -1.22 0.15 -1.26 0.47 113.70 112.78 3a4k s SER 82 Ca 0.35 0.50 -0.14 0.00 0.70 0.00 0.00 55.95 57.36 3a4k s SER 82 Cb -0.16 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 3a4k s SER 82 CO 0.11 -0.21 0.30 -1.59 1.20 0.00 0.00 173.24 173.05 3a4k s LYS 83 N -0.26 0.79 0.41 5.44 -2.85 -0.55 -4.83 119.74 117.89 3a4k s LYS 83 Ca -0.04 -0.48 -0.26 0.00 -1.00 0.00 0.00 55.97 54.19 3a4k s LYS 83 Cb -0.03 0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 3a4k s LYS 83 CO 0.02 -0.25 1.35 -1.25 0.10 0.00 0.00 175.35 175.32 3a4k s PRO 84 N -2.42 3.91 0.48 1.78 0.05 -1.26 -1.71 135.00 135.82 3a4k s PRO 84 Ca -0.06 2.27 -0.11 0.00 0.05 0.00 0.00 61.00 63.14 3a4k s PRO 84 Cb -0.01 -2.75 -0.06 0.00 0.05 0.00 0.00 34.50 31.72 3a4k s PRO 84 CO -0.03 -0.58 0.87 -0.51 0.05 0.00 0.00 177.00 176.81 3a4k s LEU 85 N -2.47 3.64 0.04 -3.56 1.43 0.56 -4.83 118.68 113.50 3a4k s LEU 85 Ca 0.57 1.26 0.19 0.00 -1.03 0.00 0.00 54.13 55.13 3a4k s LEU 85 Cb -0.40 -4.20 -0.16 0.00 0.03 0.00 0.00 46.19 41.46 3a4k s LEU 85 CO 0.52 -0.56 0.71 -0.62 0.23 0.00 0.00 176.35 176.64 3a4k n GLU 86 N -1.76 0.63 0.00 1.70 1.02 -1.26 -4.86 120.64 116.10 3a4k n GLU 86 Ca 0.04 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3a4k n GLU 86 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3a4k n GLU 86 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3a4k n GLN 87 N -2.71 3.46 -0.36 3.49 7.27 -1.26 -5.18 117.38 122.09 3a4k n GLN 87 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 3a4k n GLN 87 Cb 0.76 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.41 3a4k n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3a4k n GLY 89 N 5.00 0.00 3.19 1.69 0.00 -1.26 -4.83 105.19 108.98 3a4k n GLY 89 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3a4k n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a4k n ASN 90 N -0.08 -4.06 -3.74 1.61 5.15 -1.26 -4.99 115.26 107.89 3a4k n ASN 90 Ca 0.00 -0.30 -0.10 0.00 -0.60 0.00 0.00 54.58 53.58 3a4k n ASN 90 Cb 0.00 -3.36 -0.06 0.00 -0.53 0.00 0.00 39.78 35.83 3a4k n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a4k s ALA 91 N -2.92 -0.61 0.99 5.20 0.00 -1.26 -4.89 121.76 118.26 3a4k s ALA 91 Ca 0.33 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 3a4k s ALA 91 Cb -0.17 0.55 0.23 0.00 0.00 0.00 0.00 23.12 23.73 3a4k s ALA 91 CO 0.41 -0.55 1.35 0.20 0.00 0.00 0.00 175.76 177.16 3a4k s GLY 92 N -2.71 1.83 -0.11 0.00 0.00 -1.26 -5.04 107.32 100.02 3a4k s GLY 92 Ca 0.03 -1.36 0.16 0.00 0.00 0.00 0.00 44.72 43.54 3a4k s GLY 92 CO -0.10 -0.53 0.39 1.22 0.00 0.00 0.00 173.10 174.08 3a4k n ASP 93 N -3.84 0.43 -3.83 1.64 8.00 -0.13 -4.73 116.55 114.10 3a4k n ASP 93 Ca 0.17 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 3a4k n ASP 93 Cb 0.59 0.52 -0.12 0.00 -0.02 0.00 0.00 41.12 42.09 3a4k n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a4k s VAL 94 N -2.60 0.01 -0.01 2.53 1.01 -0.69 -0.32 120.40 120.32 3a4k s VAL 94 Ca -0.07 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3a4k s VAL 94 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3a4k s VAL 94 CO 0.83 -0.04 -0.08 0.27 0.00 0.00 0.00 175.10 176.09 3a4k s ILE 95 N -0.06 3.60 -0.04 2.22 -4.36 -0.70 -0.29 121.20 121.56 3a4k s ILE 95 Ca -0.01 -0.72 0.02 0.00 -0.26 0.00 0.00 60.65 59.68 3a4k s ILE 95 Cb -0.02 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.17 3a4k s ILE 95 CO 0.00 0.45 -0.09 0.00 0.24 0.00 0.00 174.94 175.55 3a4k s ALA 96 N -0.94 0.93 -0.07 2.27 0.00 -0.69 -1.49 121.76 121.78 3a4k s ALA 96 Ca 0.16 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 51.89 3a4k s ALA 96 Cb -0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3a4k s ALA 96 CO 0.06 0.09 -0.21 -0.51 0.00 0.00 0.00 175.76 175.18 3a4k s LEU 97 N 0.55 2.28 0.42 0.00 1.43 0.18 -0.47 118.68 123.07 3a4k s LEU 97 Ca -0.09 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 3a4k s LEU 97 Cb -0.13 -1.44 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 3a4k s LEU 97 CO 0.01 0.24 1.43 -0.24 0.23 0.00 0.00 176.35 178.03 3a4k n SER 98 N 2.98 3.39 -0.08 2.29 2.88 0.09 -0.29 113.62 124.88 3a4k n SER 98 Ca -0.18 1.16 -0.17 0.00 -1.33 0.00 0.00 58.87 58.35 3a4k n SER 98 Cb 0.52 -1.60 -0.13 0.00 -0.75 0.00 0.00 64.21 62.25 3a4k n SER 98 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3a4k n LYS 99 N 0.06 0.68 0.05 -1.46 5.02 -1.26 -4.57 118.16 116.69 3a4k n LYS 99 Ca 0.04 0.17 0.02 0.00 -2.02 0.00 0.00 58.31 56.52 3a4k n LYS 99 Cb 0.40 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3a4k n LYS 99 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3a4k h GLU 100 N 0.02 0.00 0.00 1.97 4.39 -1.91 -3.48 114.58 115.57 3a4k h GLU 100 Ca -0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3a4k h GLU 100 Cb 1.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 3a4k h GLU 100 CO -0.02 0.25 0.00 1.19 -1.16 0.00 0.00 179.01 179.27 3a4k n PHE 101 N -2.88 0.00 -3.68 4.33 3.72 -1.26 -4.93 117.46 112.76 3a4k n PHE 101 Ca -0.07 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.05 3a4k n PHE 101 Cb 0.78 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.21 3a4k n PHE 101 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3a4k n ASN 102 N -0.45 1.62 -3.51 4.37 3.02 -1.26 -4.70 115.26 114.34 3a4k n ASN 102 Ca 0.00 -2.88 -0.11 0.00 -0.03 0.00 0.00 54.58 51.56 3a4k n ASN 102 Cb 0.00 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.47 3a4k n ASN 102 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3a4k s TYR 103 N -0.88 -0.41 0.16 3.10 -0.85 -1.26 -5.05 117.35 112.15 3a4k s TYR 103 Ca 0.28 0.16 0.03 0.00 -0.52 0.00 0.00 57.07 57.02 3a4k s TYR 103 Cb -0.00 0.48 -0.05 0.00 0.38 0.00 0.00 41.96 42.77 3a4k s TYR 103 CO -0.18 -0.84 -0.06 0.20 -1.52 0.00 0.00 175.55 173.16 3a4k s GLY 104 N -2.78 1.14 0.04 5.49 0.00 -1.26 -0.73 107.32 109.22 3a4k s GLY 104 Ca 0.03 -1.54 -0.07 0.00 0.00 0.00 0.00 44.72 43.14 3a4k s GLY 104 CO -0.11 -1.57 0.14 0.48 0.00 0.00 0.00 173.10 172.04 3a4k s LEU 105 N -3.17 1.61 -0.10 0.66 0.05 0.38 -2.29 118.68 115.81 3a4k s LEU 105 Ca 0.19 -0.49 -0.02 0.00 0.05 0.00 0.00 54.13 53.86 3a4k s LEU 105 Cb 0.04 0.77 -0.03 0.00 -2.05 0.00 0.00 46.19 44.92 3a4k s LEU 105 CO 0.02 -0.55 0.00 0.54 -0.55 0.00 0.00 176.35 175.81 3a4k s VAL 106 N -2.73 4.32 0.13 1.48 0.11 -0.57 -1.70 120.40 121.43 3a4k s VAL 106 Ca -0.04 -0.24 0.09 0.00 -2.93 0.00 0.00 61.98 58.86 3a4k s VAL 106 Cb -0.00 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 3a4k s VAL 106 CO -0.05 0.59 -0.22 0.00 -3.33 0.00 0.00 175.10 172.08 3a4k s ALA 107 N -0.69 2.03 -0.13 1.54 0.00 0.60 -1.12 121.76 123.98 3a4k s ALA 107 Ca 0.11 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3a4k s ALA 107 Cb -0.12 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3a4k s ALA 107 CO 0.02 0.39 -0.14 0.34 0.00 0.00 0.00 175.76 176.37 3a4k s ASP 108 N -2.11 2.57 0.18 0.00 2.15 0.15 -0.95 116.67 118.66 3a4k s ASP 108 Ca 0.11 -0.45 -0.30 0.00 0.43 0.00 0.00 52.55 52.33 3a4k s ASP 108 Cb -0.09 -1.13 -0.08 0.00 -0.30 0.00 0.00 42.92 41.32 3a4k s ASP 108 CO 0.05 -0.04 1.12 0.00 -0.17 0.00 0.00 175.17 176.13 3a4k s ALA 109 N 1.36 3.38 0.00 3.66 0.00 -1.26 0.20 121.76 129.10 3a4k s ALA 109 Ca 0.02 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.82 3a4k s ALA 109 Cb -0.13 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 3a4k s ALA 109 CO -0.08 -0.24 -0.03 0.15 0.00 0.00 0.00 175.76 175.57 3a4k s LYS 110 N -0.35 0.23 0.12 0.00 -0.14 0.45 -4.92 119.74 115.12 3a4k s LYS 110 Ca 0.50 -0.16 0.03 0.00 -1.36 0.00 0.00 55.97 54.97 3a4k s LYS 110 Cb -0.30 -0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.63 3a4k s LYS 110 CO 0.35 0.05 -0.08 -1.12 -0.76 0.00 0.00 175.35 173.79 3a4k s SER 111 N -0.25 1.36 -0.06 2.83 0.01 -1.26 -3.91 113.70 112.42 3a4k s SER 111 Ca -0.01 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.16 3a4k s SER 111 Cb -0.02 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.29 3a4k s SER 111 CO -0.00 -0.42 0.21 -0.36 0.41 0.00 0.00 173.24 173.07 3a4k s PHE 112 N -3.53 -0.17 0.81 2.43 0.08 -0.87 -4.90 117.98 111.83 3a4k s PHE 112 Ca 0.14 0.40 -0.11 0.00 0.12 0.00 0.00 56.93 57.48 3a4k s PHE 112 Cb 0.04 0.05 0.08 0.00 -0.57 0.00 0.00 43.02 42.63 3a4k s PHE 112 CO -0.03 -0.17 1.12 1.03 -0.10 0.00 0.00 175.22 177.07 3a4k s ARG 113 N -0.32 1.88 0.55 0.44 0.52 -1.26 -2.11 118.95 118.65 3a4k s ARG 113 Ca -0.04 1.38 0.31 0.00 -0.52 0.00 0.00 55.73 56.86 3a4k s ARG 113 Cb -0.03 -1.84 1.59 0.00 0.52 0.00 0.00 34.95 35.19 3a4k s ARG 113 CO 0.01 -1.96 2.10 -0.07 0.02 0.00 0.00 175.30 175.40 3a4k h LEU 114 N -1.19 0.00 -0.34 2.53 3.38 -1.95 -2.36 115.31 115.37 3a4k h LEU 114 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3a4k h LEU 114 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3a4k h LEU 114 CO 0.48 0.08 -0.13 -1.54 0.09 0.00 0.00 178.44 177.42 3a4k n SER 115 N -3.45 0.66 -4.67 -0.43 3.41 -1.26 -4.92 113.62 102.97 3a4k n SER 115 Ca -0.02 -0.73 -0.46 0.00 -0.26 0.00 0.00 58.87 57.40 3a4k n SER 115 Cb 0.23 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 3a4k n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3a4k n ARG 116 N -0.80 2.15 0.00 4.33 3.00 -0.89 -4.98 116.66 119.47 3a4k n ARG 116 Ca 0.15 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 3a4k n ARG 116 Cb 0.29 -2.56 0.00 0.00 0.00 0.00 0.00 32.46 30.20 3a4k n ARG 116 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3a4k n THR 117 N 3.65 0.00 -2.18 5.15 -2.24 -1.26 -4.93 114.28 112.47 3a4k n THR 117 Ca 0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 3a4k n THR 117 Cb 0.29 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 3a4k n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4k s ALA 118 N -4.00 3.59 -0.87 6.98 0.00 -1.26 -4.96 121.76 121.24 3a4k s ALA 118 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 3a4k s ALA 118 Cb 0.00 -3.59 0.20 0.00 0.00 0.00 0.00 23.12 19.73 3a4k s ALA 118 CO 0.00 -0.85 0.88 0.15 0.00 0.00 0.00 175.76 175.94 3a4k s LYS 119 N 2.07 3.62 0.40 0.00 3.01 -1.26 -5.05 119.74 122.53 3a4k s LYS 119 Ca 0.65 -2.29 -0.23 0.00 -1.01 0.00 0.00 55.97 53.09 3a4k s LYS 119 Cb -0.34 -4.57 -0.10 0.00 -1.01 0.00 0.00 37.83 31.82 3a4k s LYS 119 CO 0.28 -1.43 1.00 -0.80 0.51 0.00 0.00 175.35 174.92 3a4k s ASN 120 N 2.55 6.87 0.37 2.83 0.01 -1.26 -4.91 114.94 121.41 3a4k s ASN 120 Ca 0.22 1.90 0.16 0.00 -0.71 0.00 0.00 52.86 54.43 3a4k s ASN 120 Cb -0.09 -2.57 1.03 0.00 0.41 0.00 0.00 41.25 40.04 3a4k s ASN 120 CO -0.09 -0.41 1.76 0.06 -1.51 0.00 0.00 177.10 176.92 3a4k h GLN 121 N 2.38 0.45 0.00 -0.60 -0.00 -2.02 -0.93 115.11 114.40 3a4k h GLN 121 Ca -0.48 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.06 3a4k h GLN 121 Cb 1.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 28.57 3a4k h GLN 121 CO 0.62 0.30 -0.36 1.57 -0.00 0.00 0.00 178.83 180.95 3a4k h LYS 122 N 0.46 0.00 0.00 0.06 2.10 -2.02 -2.75 116.57 114.42 3a4k h LYS 122 Ca 0.60 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.23 3a4k h LYS 122 Cb 1.40 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.73 3a4k h LYS 122 CO -0.34 0.36 -0.10 -0.44 -2.00 0.00 0.00 179.45 176.93 3a4k h ASP 123 N 0.00 0.00 1.77 7.07 3.32 -1.53 -2.56 116.42 124.49 3a4k h ASP 123 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3a4k h ASP 123 Cb 0.89 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3a4k h ASP 123 CO 0.05 0.10 -0.20 -0.26 -1.72 0.00 0.00 179.24 177.21 3a4k h PHE 124 N 0.00 0.00 -6.80 4.55 0.04 -1.55 -3.48 116.94 109.70 3a4k h PHE 124 Ca -0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 3a4k h PHE 124 Cb 0.33 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.33 3a4k h PHE 124 CO 0.00 0.20 -0.92 1.63 -0.60 0.00 0.00 178.31 178.62 3a4k n LYS 125 N -3.15 -2.17 -0.19 1.51 5.02 -0.97 -4.85 118.16 113.35 3a4k n LYS 125 Ca 0.03 0.26 -0.08 0.00 -2.02 0.00 0.00 58.31 56.50 3a4k n LYS 125 Cb 0.61 -4.17 0.02 0.00 -0.02 0.00 0.00 35.03 31.47 3a4k n LYS 125 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a4k h VAL 126 N -1.75 1.22 -0.28 -0.18 2.07 -1.88 -1.52 116.25 113.93 3a4k h VAL 126 Ca -0.64 -0.70 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 3a4k h VAL 126 Cb 1.39 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3a4k h VAL 126 CO 0.68 0.27 -0.53 0.11 0.02 0.00 0.00 177.57 178.12 3a4k h LYS 127 N 0.75 0.86 0.09 1.57 1.57 -1.89 -2.27 116.57 117.23 3a4k h LYS 127 Ca 0.18 -0.54 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3a4k h LYS 127 Cb 0.21 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3a4k h LYS 127 CO -0.01 1.18 -0.15 0.00 -0.57 0.00 0.00 179.45 179.90 3a4k h ALA 128 N 0.67 -0.24 -0.99 3.86 0.00 -1.94 -2.74 119.26 117.88 3a4k h ALA 128 Ca 0.01 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.10 3a4k h ALA 128 Cb 1.14 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 3a4k h ALA 128 CO 0.12 -0.66 0.62 1.25 0.00 0.00 0.00 179.25 180.57 3a4k h LEU 129 N -0.29 0.71 -0.30 0.00 5.85 -1.24 -0.74 115.31 119.31 3a4k h LEU 129 Ca 0.02 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3a4k h LEU 129 Cb 0.30 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3a4k h LEU 129 CO -0.08 0.24 -0.03 -1.28 -0.34 0.00 0.00 178.44 176.95 3a4k h SER 130 N 0.68 -0.19 -0.66 1.25 0.87 -1.12 -2.49 113.55 111.90 3a4k h SER 130 Ca 0.57 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 61.15 3a4k h SER 130 Cb 0.99 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 3a4k h SER 130 CO -0.35 -0.06 0.21 -0.33 -0.53 0.00 0.00 176.83 175.78 3a4k h GLU 131 N 0.05 1.05 0.00 2.24 4.39 -1.18 -2.98 114.58 118.14 3a4k h GLU 131 Ca 0.14 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3a4k h GLU 131 Cb 0.20 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3a4k h GLU 131 CO -0.27 0.89 0.00 -1.49 -1.16 0.00 0.00 179.01 176.99 3a4k h TRP 132 N 1.01 0.00 0.00 4.33 6.55 -0.71 -2.07 115.95 125.06 3a4k h TRP 132 Ca 0.22 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 60.03 3a4k h TRP 132 Cb 0.28 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.58 3a4k h TRP 132 CO 0.02 0.00 -0.16 0.07 -1.05 0.00 0.00 178.44 177.33 3a4k h ARG 133 N 0.00 0.00 0.00 0.49 0.11 -1.33 -3.41 114.38 110.24 3a4k h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a4k h ARG 133 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3a4k h ARG 133 CO 0.00 0.16 0.00 0.39 0.10 0.00 0.00 179.97 180.62 3a4k n GLU 134 N -3.82 0.00 0.00 0.08 1.02 -0.78 -1.01 120.64 116.13 3a4k n GLU 134 Ca -0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.26 3a4k n GLU 134 Cb 0.26 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.14 3a4k n GLU 134 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3a4k n ASP 135 N 8.29 1.29 -4.81 1.62 5.75 -1.26 -4.86 116.55 122.58 3a4k n ASP 135 Ca 0.00 -1.23 -0.32 0.00 -0.01 0.00 0.00 54.79 53.23 3a4k n ASP 135 Cb 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 41.12 40.17 3a4k n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3a4k s LYS 136 N -2.22 3.20 -0.05 0.11 3.01 -0.18 -4.99 119.74 118.62 3a4k s LYS 136 Ca 0.32 1.11 -0.24 0.00 -1.01 0.00 0.00 55.97 56.15 3a4k s LYS 136 Cb 0.20 -2.02 -0.25 0.00 -1.01 0.00 0.00 37.83 34.75 3a4k s LYS 136 CO 0.41 -0.90 0.99 -0.44 0.51 0.00 0.00 175.35 175.92 3a4k h ASP 137 N 0.04 0.27 -2.00 2.83 3.32 -1.78 -3.47 116.42 115.62 3a4k h ASP 137 Ca -0.46 -0.82 -0.58 0.00 0.02 0.00 0.00 57.03 55.19 3a4k h ASP 137 Cb 1.22 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.57 3a4k h ASP 137 CO 0.57 1.06 -0.64 -0.31 -1.72 0.00 0.00 179.24 178.21 3a4k s TYR 138 N -2.95 2.54 -0.07 4.55 2.02 -0.97 -5.03 117.35 117.44 3a4k s TYR 138 Ca -0.16 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.12 3a4k s TYR 138 Cb 0.01 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3a4k s TYR 138 CO 0.76 0.53 0.15 0.00 -1.57 0.00 0.00 175.55 175.42 3a4k s ALA 139 N -2.49 -0.19 -0.18 3.71 0.00 -1.26 -1.51 121.76 119.84 3a4k s ALA 139 Ca 0.34 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 3a4k s ALA 139 Cb -0.02 -0.65 0.05 0.00 0.00 0.00 0.00 23.12 22.51 3a4k s ALA 139 CO 0.19 -0.38 0.01 0.08 0.00 0.00 0.00 175.76 175.66 3a4k s VAL 140 N 1.80 0.66 -0.29 0.00 1.01 -0.28 -1.08 120.40 122.22 3a4k s VAL 140 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3a4k s VAL 140 Cb -0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3a4k s VAL 140 CO -0.06 -0.11 0.62 -0.22 0.00 0.00 0.00 175.10 175.33 3a4k s LEU 141 N 1.81 4.12 -0.44 3.92 0.20 -0.13 -0.67 118.68 127.48 3a4k s LEU 141 Ca -0.01 0.50 -0.08 0.00 0.69 0.00 0.00 54.13 55.23 3a4k s LEU 141 Cb -0.16 -2.80 0.11 0.00 -0.43 0.00 0.00 46.19 42.90 3a4k s LEU 141 CO -0.07 -0.43 0.29 -0.89 -0.29 0.00 0.00 176.35 174.95 3a4k s THR 142 N 2.55 4.04 0.32 3.68 2.01 0.13 0.13 115.64 128.50 3a4k s THR 142 Ca 0.25 -1.72 0.04 0.00 0.31 0.00 0.00 61.69 60.57 3a4k s THR 142 Cb -0.15 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 3a4k s THR 142 CO 0.11 -0.68 0.05 0.00 -0.69 0.00 0.00 174.62 173.41 3a4k s ALA 143 N 1.34 2.36 0.03 7.40 0.00 -1.07 -0.41 121.76 131.42 3a4k s ALA 143 Ca 0.05 -2.05 -0.30 0.00 0.00 0.00 0.00 51.96 49.66 3a4k s ALA 143 Cb -0.25 0.62 -0.06 0.00 0.00 0.00 0.00 23.12 23.43 3a4k s ALA 143 CO -0.01 -0.29 1.36 -2.14 0.00 0.00 0.00 175.76 174.69 3a4k s PRO 144 N -3.88 4.31 0.20 0.00 0.02 -1.25 -2.60 135.00 131.80 3a4k s PRO 144 Ca 0.36 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 3a4k s PRO 144 Cb 0.08 -3.47 0.22 0.00 0.02 0.00 0.00 34.50 31.35 3a4k s PRO 144 CO 0.15 -0.50 1.76 0.35 -0.33 0.00 0.00 177.00 178.44 3a4k h PHE 145 N 7.46 0.44 0.00 6.54 3.57 -1.94 -1.25 116.94 131.76 3a4k h PHE 145 Ca -0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3a4k h PHE 145 Cb 1.19 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3a4k h PHE 145 CO 0.72 0.16 0.00 1.19 -2.23 0.00 0.00 178.31 178.15 3a4k n PHE 146 N -4.94 0.00 1.16 0.41 3.72 -1.26 -2.32 117.46 114.22 3a4k n PHE 146 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.59 3a4k n PHE 146 Cb 0.22 -0.02 0.22 0.00 -0.94 0.00 0.00 39.48 38.96 3a4k n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a4k n GLN 147 N -1.02 1.22 -2.25 -1.08 1.13 -0.47 -4.95 117.38 109.96 3a4k n GLN 147 Ca 0.23 -0.88 -0.34 0.00 -1.94 0.00 0.00 57.00 54.07 3a4k n GLN 147 Cb 0.12 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 28.98 3a4k n GLN 147 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3a4k s TYR 148 N -2.39 2.80 0.54 1.08 2.02 -0.98 -4.93 117.35 115.49 3a4k s TYR 148 Ca 0.24 1.55 -0.22 0.00 -0.37 0.00 0.00 57.07 58.27 3a4k s TYR 148 Cb 0.19 -3.18 -0.05 0.00 -0.40 0.00 0.00 41.96 38.52 3a4k s TYR 148 CO 0.50 -1.32 1.36 -1.25 -1.57 0.00 0.00 175.55 173.27 3a4k s PRO 149 N -3.47 3.19 0.09 -1.71 0.04 -1.26 -4.93 135.00 126.96 3a4k s PRO 149 Ca 0.69 2.24 0.20 0.00 0.04 0.00 0.00 61.00 64.17 3a4k s PRO 149 Cb -0.20 -2.29 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 3a4k s PRO 149 CO 0.28 -1.15 0.83 0.25 0.04 0.00 0.00 177.00 177.24 3a4k n THR 150 N -0.96 0.83 0.05 1.26 -2.24 -1.26 -4.73 114.28 107.22 3a4k n THR 150 Ca 0.10 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3a4k n THR 150 Cb 0.45 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3a4k n THR 150 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3a4k n THR 151 N -2.72 0.72 -3.68 4.28 -1.04 -1.26 -4.78 114.28 105.79 3a4k n THR 151 Ca -0.06 0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 62.05 3a4k n THR 151 Cb 0.71 -1.35 -0.09 0.00 -1.82 0.00 0.00 70.33 67.78 3a4k n THR 151 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3a4k s LYS 152 N -2.00 0.63 -0.18 -2.82 2.20 -1.26 -1.21 119.74 115.09 3a4k s LYS 152 Ca 0.00 0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 56.12 3a4k s LYS 152 Cb 0.00 0.28 0.10 0.00 -1.51 0.00 0.00 37.83 36.70 3a4k s LYS 152 CO 0.00 -0.09 0.86 0.45 -0.36 0.00 0.00 175.35 176.21 3a4k s SER 153 N 0.43 -0.55 0.52 1.43 0.15 0.48 -4.93 113.70 111.23 3a4k s SER 153 Ca -0.01 0.82 0.30 0.00 0.70 0.00 0.00 55.95 57.76 3a4k s SER 153 Cb -0.04 0.75 1.43 0.00 -1.71 0.00 0.00 66.02 66.45 3a4k s SER 153 CO -0.01 -0.35 1.86 1.56 1.20 0.00 0.00 173.24 177.50 3a4k h GLN 154 N 3.59 0.07 0.00 5.44 4.20 -1.97 -2.43 115.11 124.01 3a4k h GLN 154 Ca -0.25 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 3a4k h GLN 154 Cb 1.16 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 3a4k h GLN 154 CO 0.23 0.05 -0.33 -0.84 -0.67 0.00 0.00 178.83 177.27 3a4k h ILE 155 N 0.07 0.89 -0.49 2.54 3.07 -1.91 -0.67 117.51 121.01 3a4k h ILE 155 Ca 0.47 -1.31 -0.11 0.00 1.55 0.00 0.00 64.86 65.46 3a4k h ILE 155 Cb 1.76 1.79 -0.02 0.00 -0.27 0.00 0.00 36.82 40.08 3a4k h ILE 155 CO -0.05 0.32 -0.15 -0.26 -1.05 0.00 0.00 178.15 176.97 3a4k h PHE 156 N 0.00 1.05 -0.08 0.16 0.04 -1.70 -0.81 116.94 115.60 3a4k h PHE 156 Ca -0.00 -0.22 -0.21 0.00 2.80 0.00 0.00 57.97 60.34 3a4k h PHE 156 Cb 0.76 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3a4k h PHE 156 CO 0.00 1.00 -0.80 -0.22 -0.60 0.00 0.00 178.31 177.69 3a4k h LYS 157 N 0.83 0.54 -0.72 1.51 3.64 -1.28 -2.33 116.57 118.75 3a4k h LYS 157 Ca 0.12 -0.47 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 3a4k h LYS 157 Cb 0.69 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3a4k h LYS 157 CO 0.05 1.10 0.35 1.96 -2.27 0.00 0.00 179.45 180.64 3a4k h GLN 158 N 0.35 1.03 -0.13 1.90 4.20 -1.06 0.10 115.11 121.50 3a4k h GLN 158 Ca -0.05 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3a4k h GLN 158 Cb 1.41 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3a4k h GLN 158 CO 0.15 0.81 0.08 1.03 -0.67 0.00 0.00 178.83 180.23 3a4k h SER 159 N 1.01 0.14 -0.44 1.46 0.87 -1.06 -0.64 113.55 114.89 3a4k h SER 159 Ca 0.25 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3a4k h SER 159 Cb 0.11 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3a4k h SER 159 CO -0.03 0.10 0.15 -0.07 -0.53 0.00 0.00 176.83 176.45 3a4k h LEU 160 N 0.17 0.62 -0.90 2.23 3.38 -1.19 -0.73 115.31 118.89 3a4k h LEU 160 Ca 0.05 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3a4k h LEU 160 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3a4k h LEU 160 CO -0.02 0.65 -0.38 0.44 0.09 0.00 0.00 178.44 179.22 3a4k h ASP 161 N 0.56 0.35 -0.02 -0.43 3.32 -0.70 -3.22 116.42 116.28 3a4k h ASP 161 Ca 0.14 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a4k h ASP 161 Cb 0.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3a4k h ASP 161 CO -0.01 0.71 -0.28 -0.62 -1.72 0.00 0.00 179.24 177.32 3a4k n GLU 162 N -4.04 1.60 -3.69 3.56 -0.58 -0.26 -4.99 120.64 112.24 3a4k n GLU 162 Ca -0.01 -1.24 -0.26 0.00 -0.42 0.00 0.00 57.16 55.22 3a4k n GLU 162 Cb 0.47 -1.41 0.03 0.00 -0.57 0.00 0.00 31.44 29.96 3a4k n GLU 162 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3a4k n ASN 163 N 0.40 -3.43 -4.29 1.62 5.15 -0.33 -4.94 115.26 109.44 3a4k n ASN 163 Ca 0.10 -0.93 -0.35 0.00 -0.60 0.00 0.00 54.58 52.79 3a4k n ASN 163 Cb 0.47 -3.69 -0.14 0.00 -0.53 0.00 0.00 39.78 35.90 3a4k n ASN 163 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a4k s VAL 164 N -3.60 3.41 -0.05 3.44 1.01 -0.89 -4.30 120.40 119.41 3a4k s VAL 164 Ca 0.26 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 3a4k s VAL 164 Cb -0.08 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3a4k s VAL 164 CO 0.84 0.26 1.30 -0.22 0.00 0.00 0.00 175.10 177.28 3a4k s LEU 165 N 1.44 4.28 -0.96 3.92 2.96 -0.24 -4.64 118.68 125.44 3a4k s LEU 165 Ca 0.03 1.93 -0.22 0.00 -0.22 0.00 0.00 54.13 55.65 3a4k s LEU 165 Cb -0.16 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.06 3a4k s LEU 165 CO -0.02 -0.67 1.30 -0.76 -1.32 0.00 0.00 176.35 174.88 3a4k s LEU 166 N 2.50 4.12 0.00 -0.68 1.43 -1.26 -0.95 118.68 123.83 3a4k s LEU 166 Ca 0.59 -1.62 0.09 0.00 -1.03 0.00 0.00 54.13 52.17 3a4k s LEU 166 Cb -0.27 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.54 3a4k s LEU 166 CO 0.23 -1.35 0.76 0.33 0.23 0.00 0.00 176.35 176.55 3a4k n PHE 167 N 7.96 -2.31 -3.63 0.29 7.35 0.12 -5.01 117.46 122.23 3a4k n PHE 167 Ca 0.27 -2.02 -0.15 0.00 -0.76 0.00 0.00 57.45 54.79 3a4k n PHE 167 Cb 0.50 -0.52 -0.07 0.00 0.35 0.00 0.00 39.48 39.74 3a4k n PHE 167 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3a4k s SER 168 N -4.42 -0.41 0.41 -2.13 1.04 -1.26 -2.58 113.70 104.36 3a4k s SER 168 Ca 0.58 0.30 0.14 0.00 0.48 0.00 0.00 55.95 57.44 3a4k s SER 168 Cb -0.05 0.44 0.99 0.00 0.10 0.00 0.00 66.02 67.51 3a4k s SER 168 CO 0.37 -0.59 1.91 -0.50 0.98 0.00 0.00 173.24 175.41 3a4k h TRP 169 N 3.24 0.56 0.02 5.02 4.06 -1.80 -2.22 115.95 124.83 3a4k h TRP 169 Ca -0.29 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.67 3a4k h TRP 169 Cb 1.18 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 3a4k h TRP 169 CO 0.43 0.22 -0.01 0.93 -3.56 0.00 0.00 178.44 176.44 3a4k h GLU 170 N 0.48 -0.03 -0.92 0.49 3.07 -1.89 0.23 114.58 116.02 3a4k h GLU 170 Ca 0.38 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.26 3a4k h GLU 170 Cb 0.79 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.66 3a4k h GLU 170 CO -0.13 0.39 0.61 0.45 -1.40 0.00 0.00 179.01 178.93 3a4k h HIS 171 N -0.46 1.15 -0.03 4.33 3.86 -1.94 -1.26 115.15 120.80 3a4k h HIS 171 Ca -0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3a4k h HIS 171 Cb 0.44 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 3a4k h HIS 171 CO 0.07 0.71 0.01 1.25 0.86 0.00 0.00 177.93 180.84 3a4k h LEU 172 N 1.23 0.05 -1.32 2.43 5.85 -1.28 -1.70 115.31 120.56 3a4k h LEU 172 Ca 0.34 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3a4k h LEU 172 Cb -0.12 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3a4k h LEU 172 CO -0.08 0.20 0.53 0.00 -0.34 0.00 0.00 178.44 178.75 3a4k h ALA 173 N 0.84 1.75 -0.46 1.25 0.00 -0.24 -1.40 119.26 121.00 3a4k h ALA 173 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3a4k h ALA 173 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a4k h ALA 173 CO -0.00 0.09 -0.12 0.82 0.00 0.00 0.00 179.25 180.03 3a4k h ILE 174 N 0.75 1.27 -0.42 0.00 2.04 -1.02 -0.74 117.51 119.39 3a4k h ILE 174 Ca 0.38 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3a4k h ILE 174 Cb 0.45 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3a4k h ILE 174 CO -0.15 0.43 0.19 -0.07 0.00 0.00 0.00 178.15 178.55 3a4k h LEU 175 N 0.73 0.56 -0.29 1.44 3.38 -0.59 -0.93 115.31 119.62 3a4k h LEU 175 Ca 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3a4k h LEU 175 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3a4k h LEU 175 CO 0.05 0.55 0.03 -0.07 0.09 0.00 0.00 178.44 179.08 3a4k h LEU 176 N 0.54 0.48 -0.91 1.67 3.38 -1.11 -1.07 115.31 118.29 3a4k h LEU 176 Ca 0.14 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3a4k h LEU 176 Cb 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3a4k h LEU 176 CO -0.02 0.64 0.59 -0.61 0.09 0.00 0.00 178.44 179.13 3a4k h GLN 177 N 0.30 1.13 -0.01 1.13 4.15 -1.06 0.17 115.11 120.93 3a4k h GLN 177 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3a4k h GLN 177 Cb 0.37 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3a4k h GLN 177 CO 0.01 0.75 0.00 1.28 -1.93 0.00 0.00 178.83 178.94 3a4k n LEU 178 N -4.50 0.09 -3.36 -2.39 4.77 -0.36 -4.91 117.00 106.35 3a4k n LEU 178 Ca 0.11 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 3a4k n LEU 178 Cb 0.07 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3a4k n LEU 178 CO 0.35 0.02 -0.01 0.47 -1.33 0.00 0.00 177.39 176.89 3a4k n ASP 179 N -0.75 -4.38 -4.69 -1.43 8.00 0.05 -4.94 116.55 108.42 3a4k n ASP 179 Ca 0.15 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 3a4k n ASP 179 Cb 0.08 -3.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.58 3a4k n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a4k s LEU 180 N -6.63 4.25 0.07 0.64 1.43 -0.46 -5.03 118.68 112.95 3a4k s LEU 180 Ca 0.41 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 55.14 3a4k s LEU 180 Cb -0.21 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3a4k s LEU 180 CO 0.51 -0.49 -0.06 -1.61 0.23 0.00 0.00 176.35 174.92 3a4k s GLU 181 N 2.09 0.70 -0.01 1.70 2.02 -1.26 -4.70 118.70 119.24 3a4k s GLU 181 Ca 0.51 -1.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 3a4k s GLU 181 Cb -0.20 -0.16 -0.03 0.00 0.10 0.00 0.00 34.13 33.83 3a4k s GLU 181 CO 0.19 -0.01 0.92 -2.00 0.02 0.00 0.00 175.26 174.38 3a4k s GLU 182 N -3.11 4.54 0.24 1.61 2.12 1.00 -4.95 118.70 120.15 3a4k s GLU 182 Ca 0.04 1.31 0.01 0.00 0.36 0.00 0.00 54.97 56.68 3a4k s GLU 182 Cb 0.01 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3a4k s GLU 182 CO -0.04 -0.01 0.14 0.95 -0.54 0.00 0.00 175.26 175.76 3a4k s THR 183 N 0.92 0.17 0.56 -1.70 -4.23 -0.71 -4.74 115.64 105.91 3a4k s THR 183 Ca 0.49 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.26 3a4k s THR 183 Cb -0.20 -2.53 0.38 0.00 1.34 0.00 0.00 72.50 71.48 3a4k s THR 183 CO 0.26 0.00 2.02 -0.55 -0.54 0.00 0.00 174.62 175.81 3a4k h ASN 184 N 2.47 0.00 -0.45 3.99 -1.07 -1.96 0.13 115.58 118.69 3a4k h ASN 184 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.02 3a4k h ASN 184 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3a4k h ASN 184 CO 0.53 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.33 3a4k n ILE 185 N -4.10 0.60 -3.30 6.14 -5.35 -1.26 -4.90 119.36 107.20 3a4k n ILE 185 Ca 0.06 -0.80 -0.06 0.00 -0.27 0.00 0.00 62.75 61.68 3a4k n ILE 185 Cb 0.51 0.89 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 3a4k n ILE 185 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3a4k s PHE 186 N -1.36 -1.04 -0.01 4.28 5.36 0.44 -5.15 117.98 120.50 3a4k s PHE 186 Ca 0.40 1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 57.21 3a4k s PHE 186 Cb 0.23 0.15 -0.06 0.00 -0.34 0.00 0.00 43.02 43.00 3a4k s PHE 186 CO 0.31 -0.78 0.52 0.45 -1.46 0.00 0.00 175.22 174.26 3a4k s SER 187 N 2.63 6.90 0.00 6.13 0.15 -1.26 -1.73 113.70 126.51 3a4k s SER 187 Ca 0.15 1.07 0.22 0.00 0.70 0.00 0.00 55.95 58.08 3a4k s SER 187 Cb -0.15 -2.32 0.71 0.00 -1.71 0.00 0.00 66.02 62.55 3a4k s SER 187 CO -0.18 0.18 1.53 0.49 1.20 0.00 0.00 173.24 176.46 3a4k n PHE 188 N 2.44 0.23 -0.28 3.44 3.01 -1.26 -4.64 117.46 120.40 3a4k n PHE 188 Ca -0.09 -0.11 0.12 0.00 1.01 0.00 0.00 57.45 58.37 3a4k n PHE 188 Cb 0.51 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 40.35 3a4k n PHE 188 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3a4k h GLU 189 N 2.54 0.69 0.00 -1.08 4.81 -2.02 -0.79 114.58 118.74 3a4k h GLU 189 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3a4k h GLU 189 Cb 0.56 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3a4k h GLU 189 CO 0.00 0.46 -0.09 1.04 -0.73 0.00 0.00 179.01 179.69 3a4k n GLN 190 N -4.57 0.19 0.39 1.92 1.13 -1.26 -2.53 117.38 112.65 3a4k n GLN 190 Ca 0.18 0.14 -0.18 0.00 -1.94 0.00 0.00 57.00 55.20 3a4k n GLN 190 Cb 0.47 -1.71 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 3a4k n GLN 190 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3a4k h LEU 191 N 0.00 -0.83 -1.91 1.08 5.85 -1.48 -2.33 115.31 115.69 3a4k h LEU 191 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3a4k h LEU 191 Cb 0.67 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3a4k h LEU 191 CO 0.00 -0.54 -0.11 -0.50 -0.34 0.00 0.00 178.44 176.95 3a4k h TRP 192 N -1.08 0.00 -0.37 1.25 -0.00 -1.56 -0.97 115.95 113.22 3a4k h TRP 192 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.79 3a4k h TRP 192 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.93 3a4k h TRP 192 CO -0.01 0.11 0.00 -1.71 -0.00 0.00 0.00 178.44 176.83 3a4k n ASN 193 N -4.09 2.18 -0.25 -3.49 5.15 -1.05 -4.43 115.26 109.28 3a4k n ASN 193 Ca -0.02 -1.95 0.06 0.00 -0.60 0.00 0.00 54.58 52.07 3a4k n ASN 193 Cb 0.19 -0.25 0.19 0.00 -0.53 0.00 0.00 39.78 39.39 3a4k n ASN 193 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3a4k h PHE 194 N 2.48 0.40 0.00 1.20 3.57 -0.59 -2.65 116.94 121.36 3a4k h PHE 194 Ca 0.00 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3a4k h PHE 194 Cb 0.56 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3a4k h PHE 194 CO 0.25 -0.02 -0.28 -1.35 -2.23 0.00 0.00 178.31 174.68 3a4k h PRO 195 N 0.35 0.00 -0.24 6.41 0.11 -1.84 0.35 132.00 137.15 3a4k h PRO 195 Ca 0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.50 3a4k h PRO 195 Cb 0.70 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3a4k h PRO 195 CO -0.46 0.28 0.02 -0.22 -0.21 0.00 0.00 178.00 177.41 3a4k h LYS 196 N 0.00 0.40 -0.22 1.05 1.63 -1.75 0.30 116.57 117.98 3a4k h LYS 196 Ca -0.00 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3a4k h LYS 196 Cb 0.52 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3a4k h LYS 196 CO 0.04 0.56 0.12 0.87 -3.45 0.00 0.00 179.45 177.59 3a4k h LYS 197 N 0.19 0.30 -0.74 1.90 1.79 -1.28 -2.93 116.57 115.80 3a4k h LYS 197 Ca 0.07 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3a4k h LYS 197 Cb 0.36 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 3a4k h LYS 197 CO 0.01 0.27 0.49 0.37 -1.08 0.00 0.00 179.45 179.50 3a4k h GLN 198 N 0.25 0.88 0.00 3.15 5.75 -0.17 -2.64 115.11 122.33 3a4k h GLN 198 Ca 0.08 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3a4k h GLN 198 Cb 0.05 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 3a4k h GLN 198 CO -0.01 0.59 -0.16 0.66 -2.65 0.00 0.00 178.83 177.25 3a4k h SER 199 N 0.91 0.00 0.33 -0.69 4.64 -0.75 -2.43 113.55 115.56 3a4k h SER 199 Ca 0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3a4k h SER 199 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3a4k h SER 199 CO -0.08 0.16 -0.06 0.11 -0.87 0.00 0.00 176.83 176.09 3a4k h LYS 200 N 0.00 0.00 -0.30 4.77 1.79 -1.42 -2.36 116.57 119.05 3a4k h LYS 200 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 3a4k h LYS 200 Cb 0.30 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.91 3a4k h LYS 200 CO 0.02 0.06 -0.01 0.36 -1.08 0.00 0.00 179.45 178.80 3a4k n LYS 201 N -3.46 2.43 -4.22 3.15 2.85 -0.92 -4.96 118.16 113.03 3a4k n LYS 201 Ca -0.02 -2.96 -0.28 0.00 -1.05 0.00 0.00 58.31 54.00 3a4k n LYS 201 Cb 0.19 -1.83 -0.17 0.00 -0.65 0.00 0.00 35.03 32.57 3a4k n LYS 201 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3a4k s THR 202 N -3.00 1.39 0.74 0.58 2.01 -0.89 -5.11 115.64 111.36 3a4k s THR 202 Ca 0.43 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 3a4k s THR 202 Cb 0.37 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.61 3a4k s THR 202 CO 0.05 0.42 1.10 -0.94 -0.69 0.00 0.00 174.62 174.57 3a4k s SER 203 N 1.26 4.67 0.42 3.53 1.04 -1.26 -4.91 113.70 118.45 3a4k s SER 203 Ca -0.01 1.89 0.11 0.00 0.48 0.00 0.00 55.95 58.42 3a4k s SER 203 Cb -0.14 -2.53 0.95 0.00 0.10 0.00 0.00 66.02 64.40 3a4k s SER 203 CO -0.05 -1.92 2.00 0.58 0.98 0.00 0.00 173.24 174.82 3a4k h VAL 204 N -0.76 0.96 0.00 5.02 2.07 -2.00 -2.22 116.25 119.32 3a4k h VAL 204 Ca -0.45 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.78 3a4k h VAL 204 Cb 1.24 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3a4k h VAL 204 CO 0.52 0.09 -0.59 -1.28 0.02 0.00 0.00 177.57 176.33 3a4k h SER 205 N 0.49 0.00 -0.04 0.57 0.87 -2.05 -3.17 113.55 110.21 3a4k h SER 205 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3a4k h SER 205 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3a4k h SER 205 CO -0.07 0.59 0.00 0.47 -0.53 0.00 0.00 176.83 177.29 3a4k n ASP 206 N -3.74 1.92 0.08 6.23 8.00 -0.87 -4.63 116.55 123.53 3a4k n ASP 206 Ca -0.01 -1.65 0.08 0.00 0.71 0.00 0.00 54.79 53.93 3a4k n ASP 206 Cb 0.61 -0.01 0.54 0.00 -0.02 0.00 0.00 41.12 42.23 3a4k n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a4k h ALA 207 N 4.42 1.93 -0.00 2.24 0.00 -1.43 -0.88 119.26 125.53 3a4k h ALA 207 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a4k h ALA 207 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3a4k h ALA 207 CO 0.00 0.03 -0.07 0.39 0.00 0.00 0.00 179.25 179.61 3a4k n GLU 208 N -4.49 0.89 -2.27 0.00 1.02 -1.26 -2.94 120.64 111.58 3a4k n GLU 208 Ca 0.02 -0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 56.47 3a4k n GLU 208 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3a4k n GLU 208 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3a4k s ASN 209 N -2.31 6.98 0.02 1.62 -0.87 -0.34 -0.39 114.94 119.66 3a4k s ASN 209 Ca 0.34 2.43 -0.35 0.00 -1.57 0.00 0.00 52.86 53.71 3a4k s ASN 209 Cb 0.21 -2.63 -0.14 0.00 -0.02 0.00 0.00 41.25 38.67 3a4k s ASN 209 CO 0.43 -0.41 1.62 -3.20 -2.57 0.00 0.00 177.10 172.97 3a4k n ASN 210 N 1.71 2.76 -0.86 -1.22 2.85 -0.35 -4.88 115.26 115.27 3a4k n ASN 210 Ca 0.02 1.06 0.08 0.00 -0.11 0.00 0.00 54.58 55.64 3a4k n ASN 210 Cb 0.43 -1.32 0.25 0.00 1.24 0.00 0.00 39.78 40.38 3a4k n ASN 210 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 3a4k n PHE 211 N 4.28 0.88 0.17 1.20 1.16 -1.26 -4.75 117.46 119.15 3a4k n PHE 211 Ca 0.20 -0.82 0.02 0.00 -1.87 0.00 0.00 57.45 54.97 3a4k n PHE 211 Cb 0.25 -0.28 0.31 0.00 -1.61 0.00 0.00 39.48 38.15 3a4k n PHE 211 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3a4k h MET 212 N 1.85 0.00 -0.14 3.97 2.86 -1.97 0.22 114.93 121.72 3a4k h MET 212 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3a4k h MET 212 Cb 1.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 3a4k h MET 212 CO 0.19 0.44 0.04 -0.09 1.06 0.00 0.00 176.91 178.55 3a4k h ARG 213 N 0.00 0.23 -0.89 1.72 2.43 -1.99 0.35 114.38 116.23 3a4k h ARG 213 Ca -0.00 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3a4k h ARG 213 Cb 0.79 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 3a4k h ARG 213 CO 0.06 0.39 0.55 -0.44 -1.51 0.00 0.00 179.97 179.01 3a4k h ASP 214 N 0.04 0.86 -0.35 -3.80 3.32 -1.85 -1.88 116.42 112.75 3a4k h ASP 214 Ca 0.05 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3a4k h ASP 214 Cb 0.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3a4k h ASP 214 CO 0.00 0.54 -0.08 0.15 -1.72 0.00 0.00 179.24 178.13 3a4k h PHE 215 N 0.99 0.76 -0.54 4.55 3.57 -0.17 -1.06 116.94 125.02 3a4k h PHE 215 Ca 0.39 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3a4k h PHE 215 Cb 0.21 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3a4k h PHE 215 CO -0.03 0.83 0.25 -0.91 -2.23 0.00 0.00 178.31 176.22 3a4k h ASN 216 N 0.46 0.69 -0.32 0.41 2.35 -0.20 0.49 115.58 119.47 3a4k h ASN 216 Ca 0.09 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3a4k h ASN 216 Cb 0.58 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3a4k h ASN 216 CO 0.03 0.60 0.08 0.11 -1.65 0.00 0.00 177.43 176.61 3a4k h LYS 217 N 0.76 0.50 -0.76 0.81 1.57 -1.18 -0.82 116.57 117.45 3a4k h LYS 217 Ca 0.19 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3a4k h LYS 217 Cb 0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3a4k h LYS 217 CO -0.02 0.56 0.40 -0.92 -0.57 0.00 0.00 179.45 178.90 3a4k h TYR 218 N 0.35 1.07 0.39 -1.35 3.20 -0.83 -0.99 116.97 118.81 3a4k h TYR 218 Ca 0.10 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3a4k h TYR 218 Cb 0.28 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3a4k h TYR 218 CO 0.01 0.76 -0.23 0.35 -1.64 0.00 0.00 178.16 177.41 3a4k h PHE 219 N 1.06 -0.60 -0.71 -3.82 3.57 -0.86 -0.26 116.94 115.32 3a4k h PHE 219 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 3a4k h PHE 219 Cb 0.06 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 3a4k h PHE 219 CO 0.00 -0.36 0.38 0.52 -2.23 0.00 0.00 178.31 176.62 3a4k h MET 220 N -0.59 0.65 -0.04 1.11 2.86 -1.02 -1.35 114.93 116.55 3a4k h MET 220 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3a4k h MET 220 Cb 0.48 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3a4k h MET 220 CO 0.05 0.43 -0.00 -0.44 1.06 0.00 0.00 176.91 178.01 3a4k h ASP 221 N 0.66 0.06 -0.69 1.22 3.32 -1.11 0.39 116.42 120.28 3a4k h ASP 221 Ca 0.34 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3a4k h ASP 221 Cb 0.29 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3a4k h ASP 221 CO -0.23 0.36 0.13 0.25 -1.72 0.00 0.00 179.24 178.04 3a4k h LEU 222 N -0.24 1.08 -1.59 1.55 5.85 -0.91 -3.20 115.31 117.85 3a4k h LEU 222 Ca 0.01 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3a4k h LEU 222 Cb 0.33 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3a4k h LEU 222 CO 0.00 1.06 -0.12 0.49 -0.34 0.00 0.00 178.44 179.53 3a4k n PHE 223 N -4.22 0.00 -3.48 1.25 3.72 -0.52 -4.98 117.46 109.23 3a4k n PHE 223 Ca 0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 3a4k n PHE 223 Cb 0.28 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.88 3a4k n PHE 223 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3a4k n LYS 224 N 0.87 -3.92 -4.00 -1.08 5.02 0.12 -5.02 118.16 110.15 3a4k n LYS 224 Ca 0.13 0.73 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 3a4k n LYS 224 Cb 0.54 -5.41 -0.12 0.00 -0.02 0.00 0.00 35.03 30.03 3a4k n LYS 224 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a4k s ILE 225 N -3.47 4.24 0.72 -0.18 1.01 -0.40 -5.04 121.20 118.09 3a4k s ILE 225 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 3a4k s ILE 225 Cb -0.04 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.52 3a4k s ILE 225 CO 0.78 0.41 1.10 1.51 0.00 0.00 0.00 174.94 178.74 3a4k s ASP 226 N 0.98 5.28 0.54 3.58 1.47 -1.26 -4.64 116.67 122.62 3a4k s ASP 226 Ca 0.03 1.13 0.22 0.00 1.18 0.00 0.00 52.55 55.11 3a4k s ASP 226 Cb -0.14 -1.91 1.47 0.00 -0.34 0.00 0.00 42.92 42.00 3a4k s ASP 226 CO 0.02 -1.45 2.17 0.50 0.68 0.00 0.00 175.17 177.10 3a4k h LYS 227 N -0.73 0.00 0.20 2.11 3.64 -1.99 -1.83 116.57 117.98 3a4k h LYS 227 Ca -0.45 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.61 3a4k h LYS 227 Cb 1.26 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.11 3a4k h LYS 227 CO 0.63 0.02 -1.39 -0.44 -2.27 0.00 0.00 179.45 176.01 3a4k h ASP 228 N 0.00 0.83 -0.05 4.20 3.32 -1.98 -0.73 116.42 122.02 3a4k h ASP 228 Ca -0.00 -0.85 -0.00 0.00 0.02 0.00 0.00 57.03 56.20 3a4k h ASP 228 Cb 0.05 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3a4k h ASP 228 CO 0.00 1.65 0.02 0.74 -1.72 0.00 0.00 179.24 179.94 3a4k h THR 229 N 0.19 1.14 -0.46 0.35 2.02 -1.83 -0.34 112.91 113.98 3a4k h THR 229 Ca -0.23 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.45 3a4k h THR 229 Cb 2.07 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 3a4k h THR 229 CO 0.26 0.12 0.01 0.25 0.37 0.00 0.00 175.52 176.52 3a4k h LEU 230 N -0.09 0.80 -0.41 2.58 5.85 -1.36 0.57 115.31 123.25 3a4k h LEU 230 Ca 0.02 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3a4k h LEU 230 Cb 0.17 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3a4k h LEU 230 CO -0.00 0.91 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.88 3a4k h ASN 231 N 0.67 -0.17 -0.49 1.25 -1.24 -1.13 0.19 115.58 114.66 3a4k h ASN 231 Ca 0.13 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 3a4k h ASN 231 Cb 0.50 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 3a4k h ASN 231 CO 0.02 -0.05 0.22 1.56 -1.29 0.00 0.00 177.43 177.90 3a4k h GLN 232 N 0.11 0.71 -0.42 6.67 4.20 -0.58 -0.98 115.11 124.81 3a4k h GLN 232 Ca 0.20 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 3a4k h GLN 232 Cb 0.29 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3a4k h GLN 232 CO -0.34 0.60 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.20 3a4k h LEU 233 N 0.64 0.87 -0.41 1.46 3.38 -0.63 -1.39 115.31 119.22 3a4k h LEU 233 Ca 0.17 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3a4k h LEU 233 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3a4k h LEU 233 CO -0.02 1.06 0.19 -0.07 0.09 0.00 0.00 178.44 179.69 3a4k h LEU 234 N 0.67 0.55 -1.07 1.67 3.38 -0.52 -1.72 115.31 118.26 3a4k h LEU 234 Ca 0.10 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3a4k h LEU 234 Cb 0.71 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3a4k h LEU 234 CO 0.05 0.53 0.63 1.56 0.09 0.00 0.00 178.44 181.30 3a4k h GLN 235 N 0.52 1.18 -0.28 1.13 4.20 -1.12 -0.99 115.11 119.75 3a4k h GLN 235 Ca 0.14 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 3a4k h GLN 235 Cb 0.14 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3a4k h GLN 235 CO -0.02 0.78 -0.07 0.87 -0.67 0.00 0.00 178.83 179.72 3a4k h LYS 236 N 1.21 0.44 -0.38 1.46 1.57 -0.72 -0.92 116.57 119.24 3a4k h LYS 236 Ca 0.38 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3a4k h LYS 236 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3a4k h LYS 236 CO -0.11 0.53 0.08 0.93 -0.57 0.00 0.00 179.45 180.31 3a4k h GLU 237 N 0.42 0.61 -0.71 3.15 4.39 -0.52 -0.91 114.58 121.01 3a4k h GLU 237 Ca 0.09 -0.15 0.08 0.00 0.34 0.00 0.00 59.36 59.71 3a4k h GLU 237 Cb 0.39 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 3a4k h GLU 237 CO 0.02 0.65 0.38 0.82 -1.16 0.00 0.00 179.01 179.72 3a4k h ILE 238 N 0.46 0.90 -0.36 3.13 2.04 -0.52 -1.56 117.51 121.61 3a4k h ILE 238 Ca 0.12 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3a4k h ILE 238 Cb 0.33 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3a4k h ILE 238 CO 0.00 0.12 -0.11 0.78 0.00 0.00 0.00 178.15 178.95 3a4k h ASN 239 N 0.66 0.72 -0.81 1.72 -0.26 -0.88 -1.14 115.58 115.59 3a4k h ASN 239 Ca 0.34 -0.37 0.11 0.00 -0.56 0.00 0.00 56.30 55.81 3a4k h ASN 239 Cb 0.30 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.28 3a4k h ASN 239 CO -0.23 0.93 0.44 -0.26 -1.06 0.00 0.00 177.43 177.24 3a4k h PHE 240 N 0.50 0.79 -0.26 1.19 0.04 -0.84 -1.63 116.94 116.73 3a4k h PHE 240 Ca 0.09 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3a4k h PHE 240 Cb 0.62 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3a4k h PHE 240 CO 0.05 0.28 0.15 0.82 -0.60 0.00 0.00 178.31 179.01 3a4k h ILE 241 N 0.71 1.11 -0.57 -0.55 2.04 -0.90 -1.71 117.51 117.64 3a4k h ILE 241 Ca 0.40 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3a4k h ILE 241 Cb 0.44 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3a4k h ILE 241 CO -0.28 0.11 0.34 -0.08 0.00 0.00 0.00 178.15 178.24 3a4k h GLU 242 N 0.31 0.65 -0.86 2.37 4.81 -0.99 -0.63 114.58 120.24 3a4k h GLU 242 Ca 0.09 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 3a4k h GLU 242 Cb 0.05 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.21 3a4k h GLU 242 CO -0.02 0.43 0.51 0.93 -0.73 0.00 0.00 179.01 180.13 3a4k h GLU 243 N 0.67 0.84 -0.38 1.92 5.08 -1.20 -2.50 114.58 119.00 3a4k h GLU 243 Ca 0.24 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3a4k h GLU 243 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3a4k h GLU 243 CO -0.11 0.56 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.24 3a4k h ARG 244 N 0.87 0.69 -0.43 2.33 9.65 -0.30 -2.88 114.38 124.30 3a4k h ARG 244 Ca 0.41 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3a4k h ARG 244 Cb 0.34 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 3a4k h ARG 244 CO -0.23 0.79 0.22 0.66 2.80 0.00 0.00 179.97 184.20 3a4k h SER 245 N 0.62 0.52 -0.25 -3.80 4.64 -0.70 -1.88 113.55 112.70 3a4k h SER 245 Ca 0.11 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3a4k h SER 245 Cb 0.58 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 3a4k h SER 245 CO 0.04 0.43 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.29 3a4k h LEU 246 N 0.59 -0.26 -1.23 5.97 3.38 -1.41 0.62 115.31 122.97 3a4k h LEU 246 Ca 0.15 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3a4k h LEU 246 Cb 0.04 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3a4k h LEU 246 CO -0.02 -0.09 0.15 0.40 0.09 0.00 0.00 178.44 178.97 3a4k h ILE 247 N -0.01 1.19 -0.06 1.22 2.04 -1.46 -2.23 117.51 118.20 3a4k h ILE 247 Ca 0.12 -0.63 -0.23 0.00 1.00 0.00 0.00 64.86 65.12 3a4k h ILE 247 Cb 0.20 0.67 0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3a4k h ILE 247 CO -0.26 0.24 -0.85 -0.33 0.00 0.00 0.00 178.15 176.94 3a4k h GLU 248 N 0.67 0.68 -0.58 2.37 4.39 -0.87 -2.86 114.58 118.39 3a4k h GLU 248 Ca 0.16 -0.65 -0.06 0.00 0.34 0.00 0.00 59.36 59.14 3a4k h GLU 248 Cb 0.19 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3a4k h GLU 248 CO -0.01 1.25 0.12 0.87 -1.16 0.00 0.00 179.01 180.08 3a4k h LYS 249 N 0.35 0.95 -0.22 2.33 1.57 -0.87 -3.03 116.57 117.65 3a4k h LYS 249 Ca -0.09 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3a4k h LYS 249 Cb 1.50 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 3a4k h LYS 249 CO 0.17 0.89 0.15 1.49 -0.57 0.00 0.00 179.45 181.57 3a4k h GLU 250 N 0.85 0.28 -0.62 3.15 4.57 -1.47 -1.64 114.58 119.70 3a4k h GLU 250 Ca 0.18 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3a4k h GLU 250 Cb 0.38 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3a4k h GLU 250 CO 0.01 0.19 0.33 -0.92 -1.18 0.00 0.00 179.01 177.44 3a4k h TYR 251 N 0.29 0.86 -0.21 0.92 3.20 -1.37 -2.45 116.97 118.21 3a4k h TYR 251 Ca 0.08 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 3a4k h TYR 251 Cb -0.02 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.97 3a4k h TYR 251 CO -0.00 0.62 -0.51 -1.49 -1.64 0.00 0.00 178.16 175.15 3a4k h TRP 252 N 0.84 0.73 -0.14 -3.82 4.06 -1.38 -1.26 115.95 114.99 3a4k h TRP 252 Ca 0.22 -0.24 0.04 0.00 2.06 0.00 0.00 58.89 60.97 3a4k h TRP 252 Cb 0.05 -0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 28.01 3a4k h TRP 252 CO -0.01 0.97 -0.41 -0.22 -3.56 0.00 0.00 178.44 175.22 3a4k h LYS 253 N 0.46 -0.46 -0.79 0.49 3.64 -1.29 -1.99 116.57 116.63 3a4k h LYS 253 Ca 0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3a4k h LYS 253 Cb 1.04 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 3a4k h LYS 253 CO 0.10 -0.31 0.49 0.87 -2.27 0.00 0.00 179.45 178.32 3a4k h LYS 254 N -0.48 1.07 -0.22 1.90 1.57 -1.40 -3.25 116.57 115.76 3a4k h LYS 254 Ca 0.08 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3a4k h LYS 254 Cb 0.62 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3a4k h LYS 254 CO -0.40 0.75 -0.20 0.37 -0.57 0.00 0.00 179.45 179.40 3a4k h GLN 255 N 1.09 0.38 -0.74 3.15 5.75 -0.83 -1.83 115.11 122.07 3a4k h GLN 255 Ca 0.29 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3a4k h GLN 255 Cb -0.05 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 3a4k h GLN 255 CO -0.05 0.57 0.43 0.97 -2.65 0.00 0.00 178.83 178.10 3a4k h ILE 256 N 0.35 1.21 -0.06 2.39 2.10 -1.40 -1.40 117.51 120.70 3a4k h ILE 256 Ca 0.06 -0.49 -0.18 0.00 1.08 0.00 0.00 64.86 65.33 3a4k h ILE 256 Cb 0.55 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.45 3a4k h ILE 256 CO 0.04 0.23 -0.75 0.78 -1.08 0.00 0.00 178.15 177.36 3a4k h ASN 257 N 1.03 0.41 -0.63 2.19 2.35 -1.47 -1.32 115.58 118.13 3a4k h ASN 257 Ca 0.27 -0.28 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3a4k h ASN 257 Cb -0.02 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3a4k h ASN 257 CO -0.05 1.02 0.39 0.40 -1.65 0.00 0.00 177.43 177.54 3a4k h ILE 258 N 0.22 1.08 -0.14 2.81 2.04 -1.08 -2.91 117.51 119.54 3a4k h ILE 258 Ca -0.03 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3a4k h ILE 258 Cb 1.33 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3a4k h ILE 258 CO 0.12 0.14 -0.16 0.40 0.00 0.00 0.00 178.15 178.66 3a4k h ILE 259 N 0.77 1.35 0.00 -0.67 2.04 -1.05 -2.62 117.51 117.33 3a4k h ILE 259 Ca 0.25 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3a4k h ILE 259 Cb 0.02 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3a4k h ILE 259 CO -0.10 0.39 0.00 0.29 0.00 0.00 0.00 178.15 178.73 3a4k n LYS 260 N -4.55 0.00 0.00 2.37 5.02 -0.52 -1.31 118.16 119.18 3a4k n LYS 260 Ca -0.06 0.43 0.08 0.00 -2.02 0.00 0.00 58.31 56.74 3a4k n LYS 260 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3a4k n LYS 260 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a4k n ASN 261 N -1.46 1.65 -4.73 4.39 5.15 -1.00 -5.00 115.26 114.26 3a4k n ASN 261 Ca 0.01 -1.32 -0.37 0.00 -0.60 0.00 0.00 54.58 52.29 3a4k n ASN 261 Cb 0.02 0.42 0.07 0.00 -0.53 0.00 0.00 39.78 39.77 3a4k n ASN 261 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3a4k s PHE 262 N -1.79 2.05 0.78 1.20 0.08 -0.43 -5.04 117.98 114.84 3a4k s PHE 262 Ca 0.13 1.49 -0.11 0.00 0.12 0.00 0.00 56.93 58.56 3a4k s PHE 262 Cb 0.12 -3.70 0.07 0.00 -0.57 0.00 0.00 43.02 38.95 3a4k s PHE 262 CO 0.37 -2.96 1.14 0.95 -0.10 0.00 0.00 175.22 174.62 3a4k s THR 263 N -1.41 2.16 0.27 0.64 -4.23 -1.26 -4.81 115.64 107.00 3a4k s THR 263 Ca 0.83 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 3a4k s THR 263 Cb -0.38 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.69 3a4k s THR 263 CO 0.40 -0.04 1.73 -0.09 -0.54 0.00 0.00 174.62 176.08 3a4k h ARG 264 N -0.93 0.47 -0.02 3.99 2.43 -1.99 -0.42 114.38 117.91 3a4k h ARG 264 Ca -0.46 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3a4k h ARG 264 Cb 1.32 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3a4k h ARG 264 CO 0.65 0.31 -0.01 0.93 -1.51 0.00 0.00 179.97 180.33 3a4k h GLU 265 N 0.48 0.04 -0.49 0.20 3.07 -1.99 -2.01 114.58 113.88 3a4k h GLU 265 Ca 0.49 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.36 3a4k h GLU 265 Cb 0.81 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 3a4k h GLU 265 CO -0.44 0.48 0.28 0.93 -1.40 0.00 0.00 179.01 178.86 3a4k h GLU 266 N -0.41 0.55 -0.38 2.33 5.08 -1.88 -1.37 114.58 118.51 3a4k h GLU 266 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3a4k h GLU 266 Cb 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3a4k h GLU 266 CO 0.00 0.36 0.19 0.00 -1.00 0.00 0.00 179.01 178.56 3a4k h ALA 267 N 1.22 0.48 0.48 3.43 0.00 -1.03 0.78 119.26 124.64 3a4k h ALA 267 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3a4k h ALA 267 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a4k h ALA 267 CO -0.10 0.04 -0.23 0.82 0.00 0.00 0.00 179.25 179.78 3a4k h ILE 268 N 0.47 0.50 -0.54 0.00 2.04 -1.24 -1.13 117.51 117.61 3a4k h ILE 268 Ca 0.13 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.87 3a4k h ILE 268 Cb 0.11 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.69 3a4k h ILE 268 CO -0.02 0.04 -0.08 -0.08 0.00 0.00 0.00 178.15 178.01 3a4k h GLU 269 N -0.79 0.04 -0.72 2.37 4.81 -1.25 -0.03 114.58 119.01 3a4k h GLU 269 Ca -0.07 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3a4k h GLU 269 Cb 0.56 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 3a4k h GLU 269 CO 0.11 0.03 0.38 0.00 -0.73 0.00 0.00 179.01 178.80 3a4k h ALA 270 N 1.52 0.98 -0.37 2.92 0.00 -0.78 -2.60 119.26 120.94 3a4k h ALA 270 Ca 0.27 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3a4k h ALA 270 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3a4k h ALA 270 CO -0.52 0.02 -0.12 1.25 0.00 0.00 0.00 179.25 179.88 3a4k h LEU 271 N 0.68 0.75 0.00 0.00 5.85 0.17 -2.41 115.31 120.35 3a4k h LEU 271 Ca 0.34 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3a4k h LEU 271 Cb 0.29 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3a4k h LEU 271 CO -0.23 0.96 0.00 0.18 -0.34 0.00 0.00 178.44 179.01 3a4k n LEU 272 N -4.34 0.00 -0.07 2.25 4.77 -0.18 -1.52 117.00 117.91 3a4k n LEU 272 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 3a4k n LEU 272 Cb 0.37 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 3a4k n LEU 272 CO 0.43 0.00 -0.89 0.29 -1.33 0.00 0.00 177.39 175.89 3a4k n LYS 273 N -0.81 0.66 -0.22 3.23 5.02 -0.93 -4.12 118.16 120.99 3a4k n LYS 273 Ca 0.12 0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 56.67 3a4k n LYS 273 Cb 0.05 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3a4k n LYS 273 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3a4k h ASP 274 N -0.43 1.07 -4.08 4.39 5.19 -1.19 -3.33 116.42 118.03 3a4k h ASP 274 Ca -0.46 -0.30 -0.65 0.00 -0.62 0.00 0.00 57.03 55.00 3a4k h ASP 274 Cb 1.72 -0.29 -0.41 0.00 0.18 0.00 0.00 39.33 40.54 3a4k h ASP 274 CO -0.11 1.11 -0.67 -0.63 -3.12 0.00 0.00 179.24 175.82 3a4k s ILE 275 N -5.06 2.45 -1.27 0.35 1.01 -0.57 -5.02 121.20 113.09 3a4k s ILE 275 Ca -0.12 -2.90 -0.12 0.00 0.00 0.00 0.00 60.65 57.51 3a4k s ILE 275 Cb 0.14 -2.75 0.16 0.00 0.01 0.00 0.00 42.46 40.01 3a4k s ILE 275 CO 0.86 -0.71 1.74 -3.20 0.00 0.00 0.00 174.94 173.62 3a4k n ASN 276 N 3.60 5.06 -0.36 3.58 2.85 -1.25 -4.37 115.26 124.37 3a4k n ASN 276 Ca 0.05 -3.04 0.01 0.00 -0.11 0.00 0.00 54.58 51.49 3a4k n ASN 276 Cb 0.36 -1.53 0.17 0.00 1.24 0.00 0.00 39.78 40.01 3a4k n ASN 276 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3a4k h MET 277 N 6.33 1.18 -0.03 1.20 2.86 -1.94 -2.48 114.93 122.06 3a4k h MET 277 Ca 0.38 -0.07 -0.23 0.00 -2.06 0.00 0.00 59.70 57.72 3a4k h MET 277 Cb 0.73 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 32.13 3a4k h MET 277 CO 1.50 0.78 -0.92 0.66 1.06 0.00 0.00 176.91 179.99 3a4k h SER 278 N 1.22 0.70 -0.79 1.22 4.64 -1.91 -2.51 113.55 116.12 3a4k h SER 278 Ca 0.40 -0.53 0.16 0.00 -0.47 0.00 0.00 61.79 61.35 3a4k h SER 278 Cb 0.04 -0.21 -0.10 0.00 -0.31 0.00 0.00 62.40 61.82 3a4k h SER 278 CO -0.13 1.32 0.31 -1.28 -0.87 0.00 0.00 176.83 176.18 3a4k h SER 279 N 0.33 0.27 -0.76 4.97 0.87 -1.92 -1.31 113.55 116.00 3a4k h SER 279 Ca -0.08 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3a4k h SER 279 Cb 1.55 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.58 3a4k h SER 279 CO 0.17 0.08 0.42 0.11 -0.53 0.00 0.00 176.83 177.08 3a4k h LYS 280 N 0.43 1.06 -0.30 2.24 1.57 -1.04 0.19 116.57 120.71 3a4k h LYS 280 Ca 0.44 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3a4k h LYS 280 Cb 0.72 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3a4k h LYS 280 CO -0.44 0.78 0.06 0.82 -0.57 0.00 0.00 179.45 180.10 3a4k h ILE 281 N 1.05 1.23 -0.40 1.86 2.04 -1.21 -1.90 117.51 120.19 3a4k h ILE 281 Ca 0.27 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3a4k h ILE 281 Cb 0.03 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3a4k h ILE 281 CO -0.04 0.25 0.07 -0.33 0.00 0.00 0.00 178.15 178.10 3a4k h GLU 282 N 0.32 0.60 -0.02 2.37 5.08 -0.82 -1.12 114.58 120.99 3a4k h GLU 282 Ca 0.09 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3a4k h GLU 282 Cb 0.32 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3a4k h GLU 282 CO 0.00 0.57 0.01 1.15 -1.00 0.00 0.00 179.01 179.74 3a4k h THR 283 N 0.58 1.12 -0.25 1.13 2.02 -0.33 -1.71 112.91 115.47 3a4k h THR 283 Ca 0.13 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3a4k h THR 283 Cb 0.26 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3a4k h THR 283 CO 0.00 0.09 -0.01 0.40 0.37 0.00 0.00 175.52 176.38 3a4k h ILE 284 N -0.11 0.81 -0.04 3.11 2.04 -1.12 -0.10 117.51 122.09 3a4k h ILE 284 Ca 0.01 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3a4k h ILE 284 Cb 0.15 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3a4k h ILE 284 CO -0.00 0.01 -0.14 0.44 0.00 0.00 0.00 178.15 178.47 3a4k h ASP 285 N 0.07 -0.40 -1.00 1.72 3.32 -1.11 -0.26 116.42 118.75 3a4k h ASP 285 Ca 0.12 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.32 3a4k h ASP 285 Cb 0.16 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 3a4k h ASP 285 CO -0.21 -0.19 0.64 0.28 -1.72 0.00 0.00 179.24 178.05 3a4k h SER 286 N -0.21 1.00 0.21 6.45 0.02 -1.11 0.20 113.55 120.11 3a4k h SER 286 Ca 0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3a4k h SER 286 Cb 0.29 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3a4k h SER 286 CO -0.16 0.60 -0.10 0.15 -1.14 0.00 0.00 176.83 176.18 3a4k h PHE 287 N 1.12 -0.26 -0.37 3.45 3.57 -0.54 0.22 116.94 124.12 3a4k h PHE 287 Ca 0.46 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.99 3a4k h PHE 287 Cb 0.28 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3a4k h PHE 287 CO -0.00 0.00 0.15 0.82 -2.23 0.00 0.00 178.31 177.05 3a4k h ILE 288 N -0.51 0.92 -0.45 1.41 1.08 -0.87 -1.41 117.51 117.69 3a4k h ILE 288 Ca -0.03 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3a4k h ILE 288 Cb 0.38 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3a4k h ILE 288 CO 0.05 0.06 0.29 0.50 -0.69 0.00 0.00 178.15 178.35 3a4k h LYS 289 N 0.32 0.56 -0.41 2.37 3.64 -0.46 -2.70 116.57 119.89 3a4k h LYS 289 Ca 0.17 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3a4k h LYS 289 Cb 0.12 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3a4k h LYS 289 CO -0.15 0.37 0.21 0.78 -2.27 0.00 0.00 179.45 178.39 3a4k h GLY 290 N 0.58 0.56 2.00 5.01 0.00 -0.18 -2.81 103.07 108.23 3a4k h GLY 290 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3a4k h GLY 290 CO -0.05 0.11 -0.03 0.16 0.00 0.00 0.00 176.54 176.73 3a4k h ILE 291 N 0.42 0.08 0.00 2.60 3.07 -1.01 -2.86 117.51 119.82 3a4k h ILE 291 Ca 0.17 -0.56 -0.07 0.00 1.55 0.00 0.00 64.86 65.96 3a4k h ILE 291 Cb 0.08 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 3a4k h ILE 291 CO -0.12 0.03 -0.34 0.11 -1.05 0.00 0.00 178.15 176.78 3a4k h LYS 292 N 0.00 0.00 -6.18 0.16 1.57 -1.21 -3.43 116.57 107.47 3a4k h LYS 292 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3a4k h LYS 292 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 3a4k h LYS 292 CO 0.00 0.34 1.32 0.43 -0.57 0.00 0.00 179.45 180.97 3a4k n SER 293 N -3.45 3.56 0.11 0.86 7.64 -1.08 -4.88 113.62 116.38 3a4k n SER 293 Ca 0.00 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.63 3a4k n SER 293 Cb 0.51 -1.49 0.46 0.00 -1.01 0.00 0.00 64.21 62.69 3a4k n SER 293 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3a4k n ASN 294 N 9.01 0.57 -0.19 6.43 6.94 -1.26 0.21 115.26 136.96 3a4k n ASN 294 Ca 0.26 0.64 0.21 0.00 -0.02 0.00 0.00 54.58 55.67 3a4k n ASN 294 Cb 0.39 -0.76 0.58 0.00 -2.36 0.00 0.00 39.78 37.63 3a4k n ASN 294 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 3a4k h ASP 295 N 0.00 0.26 0.00 0.53 3.58 -1.95 -2.55 116.42 116.29 3a4k h ASP 295 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3a4k h ASP 295 Cb 0.36 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.38 3a4k h ASP 295 CO 0.00 0.11 0.00 0.54 -2.88 0.00 0.00 179.24 177.01 3a4k n ARG 296 N -4.43 0.52 0.05 0.28 5.12 0.13 -3.02 116.66 115.31 3a4k n ARG 296 Ca 0.17 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.07 3a4k n ARG 296 Cb 0.74 -1.42 -0.08 0.00 -1.16 0.00 0.00 32.46 30.53 3a4k n ARG 296 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3a4k h LEU 297 N 0.00 0.00 -2.07 0.55 3.38 -1.64 -3.49 115.31 112.05 3a4k h LEU 297 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3a4k h LEU 297 Cb 0.00 0.00 0.17 0.00 0.09 0.00 0.00 40.66 40.92 3a4k h LEU 297 CO 0.00 0.72 -0.82 -1.22 0.09 0.00 0.00 178.44 177.21 3a4k n TYR 298 N -3.07 -2.27 -1.38 1.13 4.01 -1.17 -5.21 117.16 109.21 3a4k n TYR 298 Ca -0.07 0.88 0.00 0.00 -0.16 0.00 0.00 57.90 58.54 3a4k n TYR 298 Cb 0.88 -4.55 0.00 0.00 -0.31 0.00 0.00 39.34 35.35 3a4k n TYR 298 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29