#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 1.60 0.31 4.39 1.04 -1.26 -4.77 113.70 115.00 3a4k s SER 3 Ca 0.00 1.73 0.04 0.00 0.48 0.00 0.00 55.95 58.20 3a4k s SER 3 Cb 0.00 -2.39 0.50 0.00 0.10 0.00 0.00 66.02 64.23 3a4k s SER 3 CO 0.00 -3.85 1.78 0.00 0.98 0.00 0.00 173.24 172.15 3a4k h ALA 4 N -2.38 1.21 -0.54 5.32 0.00 -1.94 -1.55 119.26 119.39 3a4k h ALA 4 Ca -0.56 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.13 3a4k h ALA 4 Cb 1.31 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3a4k h ALA 4 CO 0.48 0.51 0.19 1.25 0.00 0.00 0.00 179.25 181.67 3a4k h LEU 5 N 0.41 0.18 0.06 0.00 5.85 -1.92 0.20 115.31 120.09 3a4k h LEU 5 Ca 0.07 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3a4k h LEU 5 Cb 0.56 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3a4k h LEU 5 CO 0.04 0.12 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.90 3a4k h GLU 6 N 0.36 -0.07 -0.84 1.25 5.08 -1.69 0.06 114.58 118.72 3a4k h GLU 6 Ca 0.26 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.77 3a4k h GLU 6 Cb 0.30 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 3a4k h GLU 6 CO -0.27 0.09 0.42 0.87 -1.00 0.00 0.00 179.01 179.12 3a4k h LYS 7 N -0.22 0.59 -0.32 2.33 1.57 -1.18 -1.20 116.57 118.14 3a4k h LYS 7 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3a4k h LYS 7 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3a4k h LYS 7 CO 0.01 0.39 0.08 1.25 -0.57 0.00 0.00 179.45 180.61 3a4k h LEU 8 N 0.61 0.49 -0.96 2.94 5.85 -0.02 -0.73 115.31 123.47 3a4k h LEU 8 Ca 0.46 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 3a4k h LEU 8 Cb 0.65 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3a4k h LEU 8 CO -0.37 0.59 0.01 -0.07 -0.34 0.00 0.00 178.44 178.26 3a4k h LEU 9 N 0.36 0.73 0.10 2.25 3.38 -0.77 -0.66 115.31 120.70 3a4k h LEU 9 Ca 0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a4k h LEU 9 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3a4k h LEU 9 CO 0.00 0.79 -0.05 0.28 0.09 0.00 0.00 178.44 179.55 3a4k h SER 10 N 0.72 -0.11 -0.88 -0.43 0.02 -1.08 -1.91 113.55 109.87 3a4k h SER 10 Ca 0.14 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3a4k h SER 10 Cb 0.42 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 3a4k h SER 10 CO 0.02 -0.05 0.57 0.25 -1.14 0.00 0.00 176.83 176.48 3a4k h LEU 11 N -0.17 0.94 -0.18 5.07 5.85 -0.93 -1.46 115.31 124.44 3a4k h LEU 11 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3a4k h LEU 11 Cb 0.13 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3a4k h LEU 11 CO 0.02 0.64 0.10 0.40 -0.34 0.00 0.00 178.44 179.26 3a4k h ILE 12 N 1.10 1.10 -0.50 4.05 2.04 -0.90 -2.08 117.51 122.32 3a4k h ILE 12 Ca 0.36 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3a4k h ILE 12 Cb 0.03 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 3a4k h ILE 12 CO -0.12 0.10 -0.33 -0.33 0.00 0.00 0.00 178.15 177.47 3a4k h GLU 13 N 0.18 -0.19 0.00 2.37 4.39 -1.20 -1.74 114.58 118.39 3a4k h GLU 13 Ca 0.06 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3a4k h GLU 13 Cb 0.07 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3a4k h GLU 13 CO -0.01 -0.13 0.00 0.09 -1.16 0.00 0.00 179.01 177.80 3a4k n ASN 14 N -5.42 0.00 -1.76 1.42 3.02 -0.56 -1.98 115.26 109.97 3a4k n ASN 14 Ca 0.03 0.37 0.06 0.00 -0.03 0.00 0.00 54.58 55.02 3a4k n ASN 14 Cb 0.34 -0.42 0.37 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.42 5.30 -0.23 3.41 4.77 -0.65 -4.47 117.00 123.71 3a4k n LEU 15 Ca 0.03 -2.69 0.03 0.00 -0.03 0.00 0.00 56.01 53.34 3a4k n LEU 15 Cb 0.08 -0.67 0.27 0.00 -2.33 0.00 0.00 43.42 40.78 3a4k n LEU 15 CO 0.07 0.60 1.24 0.74 -1.33 0.00 0.00 177.39 178.71 3a4k h THR 16 N 3.67 1.13 0.00 -5.08 2.02 -1.50 -2.83 112.91 110.32 3a4k h THR 16 Ca 0.00 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 3a4k h THR 16 Cb 1.83 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3a4k h THR 16 CO 0.44 0.17 -0.32 0.78 0.37 0.00 0.00 175.52 176.96 3a4k h ASN 17 N 0.96 0.00 -4.03 4.18 2.35 -1.86 -3.48 115.58 113.70 3a4k h ASN 17 Ca 0.31 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.61 3a4k h ASN 17 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3a4k h ASN 17 CO -0.09 0.19 0.35 -1.10 -1.65 0.00 0.00 177.43 175.13 3a4k s GLN 18 N -3.13 4.25 0.38 0.81 -0.21 -1.07 -5.03 119.66 115.66 3a4k s GLN 18 Ca 0.05 1.18 -0.26 0.00 0.02 0.00 0.00 55.36 56.34 3a4k s GLN 18 Cb 0.06 -2.27 -0.11 0.00 1.00 0.00 0.00 33.01 31.69 3a4k s GLN 18 CO 0.71 -0.02 1.18 -1.91 -2.12 0.00 0.00 175.29 173.13 3a4k n GLU 19 N -0.48 1.77 -0.33 2.91 4.07 -1.26 -4.75 120.64 122.57 3a4k n GLU 19 Ca 0.06 0.63 0.09 0.00 -0.06 0.00 0.00 57.16 57.88 3a4k n GLU 19 Cb 0.53 -2.20 0.25 0.00 -0.06 0.00 0.00 31.44 29.96 3a4k n GLU 19 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3a4k h PHE 20 N 2.08 0.94 -0.34 4.31 3.57 -1.95 0.44 116.94 125.98 3a4k h PHE 20 Ca -0.45 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 60.93 3a4k h PHE 20 Cb 1.31 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3a4k h PHE 20 CO 0.48 0.26 -0.36 -0.22 -2.23 0.00 0.00 178.31 176.24 3a4k h LYS 21 N 0.75 0.85 -0.31 1.11 3.64 -1.99 0.48 116.57 121.10 3a4k h LYS 21 Ca 0.50 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3a4k h LYS 21 Cb 0.68 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3a4k h LYS 21 CO -0.34 1.10 0.13 0.37 -2.27 0.00 0.00 179.45 178.44 3a4k h GLN 22 N 0.65 0.46 -0.71 1.90 4.15 -1.63 -2.09 115.11 117.83 3a4k h GLN 22 Ca 0.05 -0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.47 3a4k h GLN 22 Cb 0.95 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 3a4k h GLN 22 CO 0.09 0.46 0.38 0.00 -1.93 0.00 0.00 178.83 177.83 3a4k h ALA 23 N 0.98 0.98 -0.73 3.38 0.00 -0.01 -2.35 119.26 121.51 3a4k h ALA 23 Ca 0.10 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3a4k h ALA 23 Cb 0.17 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3a4k h ALA 23 CO -0.01 0.02 0.42 1.15 0.00 0.00 0.00 179.25 180.83 3a4k h THR 24 N 0.67 0.97 -0.79 0.00 2.02 -0.73 -1.21 112.91 113.85 3a4k h THR 24 Ca 0.34 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3a4k h THR 24 Cb 0.29 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 3a4k h THR 24 CO -0.23 0.14 0.40 0.78 0.37 0.00 0.00 175.52 176.98 3a4k h ASN 25 N 0.75 1.00 -0.39 4.18 2.35 -0.97 -0.64 115.58 121.87 3a4k h ASN 25 Ca 0.33 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3a4k h ASN 25 Cb 0.22 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3a4k h ASN 25 CO -0.19 0.83 -0.02 0.28 -1.65 0.00 0.00 177.43 176.68 3a4k h SER 26 N 1.11 0.76 -0.46 5.81 0.02 -1.03 -0.09 113.55 119.67 3a4k h SER 26 Ca 0.27 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3a4k h SER 26 Cb 0.08 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3a4k h SER 26 CO -0.04 0.84 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.40 3a4k h LEU 27 N 0.73 0.81 -0.36 5.07 3.38 -0.95 -2.23 115.31 121.76 3a4k h LEU 27 Ca 0.14 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3a4k h LEU 27 Cb 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3a4k h LEU 27 CO 0.02 0.94 0.12 0.40 0.09 0.00 0.00 178.44 180.01 3a4k h ILE 28 N 0.67 1.21 -0.29 1.22 2.04 -0.76 -0.84 117.51 120.75 3a4k h ILE 28 Ca 0.13 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3a4k h ILE 28 Cb 0.54 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3a4k h ILE 28 CO 0.03 0.23 -0.08 -1.28 0.00 0.00 0.00 178.15 177.05 3a4k h SER 29 N 0.43 -0.28 -0.34 1.72 0.87 -1.00 -0.24 113.55 114.71 3a4k h SER 29 Ca 0.12 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3a4k h SER 29 Cb 0.24 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3a4k h SER 29 CO -0.00 -0.10 0.11 0.15 -0.53 0.00 0.00 176.83 176.45 3a4k h PHE 30 N -0.01 0.54 -0.27 2.24 3.57 -1.23 -3.01 116.94 118.77 3a4k h PHE 30 Ca 0.14 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 3a4k h PHE 30 Cb 0.22 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3a4k h PHE 30 CO -0.28 0.53 -0.26 0.82 -2.23 0.00 0.00 178.31 176.89 3a4k h ILE 31 N 0.39 1.31 0.00 1.41 2.04 -1.02 -3.26 117.51 118.38 3a4k h ILE 31 Ca 0.11 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 3a4k h ILE 31 Cb 0.24 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3a4k h ILE 31 CO -0.00 0.45 -0.11 1.88 0.00 0.00 0.00 178.15 180.37 3a4k h TYR 32 N 0.38 0.00 0.00 1.37 -1.99 -1.05 -2.56 116.97 113.12 3a4k h TYR 32 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3a4k h TYR 32 Cb 0.82 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.55 3a4k h TYR 32 CO 0.07 0.11 -0.25 0.87 -0.00 0.00 0.00 178.16 178.96 3a4k h LYS 33 N 0.00 0.00 -7.08 4.88 1.57 -1.61 -3.47 116.57 110.86 3a4k h LYS 33 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3a4k h LYS 33 Cb 0.63 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.09 3a4k h LYS 33 CO 0.01 0.00 0.56 1.28 -0.57 0.00 0.00 179.45 180.73 3a4k n LEU 34 N -2.45 5.84 -4.67 2.94 4.77 -0.97 -5.01 117.00 117.45 3a4k n LEU 34 Ca 0.04 0.90 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 3a4k n LEU 34 Cb 0.47 -1.57 0.16 0.00 -2.33 0.00 0.00 43.42 40.15 3a4k n LEU 34 CO 0.34 -0.79 0.64 0.20 -1.33 0.00 0.00 177.39 176.45 3a4k s ASN 35 N -1.16 2.94 0.21 -1.43 0.01 -1.26 -4.79 114.94 109.46 3a4k s ASN 35 Ca 0.78 1.71 -0.08 0.00 -0.71 0.00 0.00 52.86 54.56 3a4k s ASN 35 Cb -0.40 -2.34 0.14 0.00 0.41 0.00 0.00 41.25 39.06 3a4k s ASN 35 CO 0.44 -3.01 1.76 -0.09 -1.51 0.00 0.00 177.10 174.70 3a4k h ARG 36 N -1.80 1.15 -0.48 -0.60 2.43 -1.99 0.18 114.38 113.28 3a4k h ARG 36 Ca -0.50 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.38 3a4k h ARG 36 Cb 1.28 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3a4k h ARG 36 CO 0.50 0.95 -0.01 -2.95 -1.51 0.00 0.00 179.97 176.95 3a4k h ASN 37 N 1.11 0.77 0.18 -3.80 7.08 -1.99 -0.41 115.58 118.52 3a4k h ASN 37 Ca 0.25 -0.19 -0.16 0.00 -3.08 0.00 0.00 56.30 53.12 3a4k h ASN 37 Cb 0.25 -0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 36.27 3a4k h ASN 37 CO -0.02 0.85 -0.61 -0.33 -2.08 0.00 0.00 177.43 175.25 3a4k h GLU 38 N 0.75 0.43 -0.22 4.14 5.08 -1.85 -1.34 114.58 121.56 3a4k h GLU 38 Ca 0.14 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3a4k h GLU 38 Cb 0.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3a4k h GLU 38 CO 0.02 0.90 0.14 0.28 -1.00 0.00 0.00 179.01 179.35 3a4k h VAL 39 N 0.32 1.04 -0.36 3.13 2.07 -0.68 -1.25 116.25 120.52 3a4k h VAL 39 Ca -0.01 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3a4k h VAL 39 Cb 1.14 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3a4k h VAL 39 CO 0.11 0.05 0.19 0.40 0.02 0.00 0.00 177.57 178.34 3a4k h ILE 40 N 0.28 1.01 -0.06 4.57 2.04 -0.92 0.37 117.51 124.80 3a4k h ILE 40 Ca 0.08 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3a4k h ILE 40 Cb -0.02 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3a4k h ILE 40 CO -0.03 0.07 -0.20 1.05 0.00 0.00 0.00 178.15 179.05 3a4k h GLU 41 N 0.39 0.09 -0.19 2.37 4.11 -1.11 -1.61 114.58 118.63 3a4k h GLU 41 Ca 0.15 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.42 3a4k h GLU 41 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3a4k h GLU 41 CO -0.08 0.29 -0.40 -0.07 0.07 0.00 0.00 179.01 178.82 3a4k h LEU 42 N 0.09 0.68 -0.76 3.06 3.38 -0.28 -2.65 115.31 118.84 3a4k h LEU 42 Ca 0.02 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.59 3a4k h LEU 42 Cb 0.40 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3a4k h LEU 42 CO 0.03 1.11 0.25 0.58 0.09 0.00 0.00 178.44 180.49 3a4k h VAL 43 N 0.29 0.57 0.00 1.22 2.07 -0.44 0.36 116.25 120.31 3a4k h VAL 43 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3a4k h VAL 43 Cb 1.00 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3a4k h VAL 43 CO 0.09 0.06 -0.07 0.03 0.02 0.00 0.00 177.57 177.71 3a4k h ARG 44 N 0.35 0.00 0.01 1.57 3.08 -1.22 -3.28 114.38 114.89 3a4k h ARG 44 Ca 0.43 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.10 3a4k h ARG 44 Cb 0.71 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.70 3a4k h ARG 44 CO -0.47 0.07 -2.36 0.43 -1.07 0.00 0.00 179.97 176.56 3a4k n SER 45 N -3.31 1.27 0.26 7.04 7.64 0.31 -4.55 113.62 122.28 3a4k n SER 45 Ca -0.01 -0.03 0.18 0.00 1.01 0.00 0.00 58.87 60.02 3a4k n SER 45 Cb 0.25 0.04 0.82 0.00 -1.01 0.00 0.00 64.21 64.30 3a4k n SER 45 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3a4k h ILE 46 N 0.01 0.00 0.00 0.44 6.09 -0.48 -2.50 117.51 121.06 3a4k h ILE 46 Ca -0.54 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.68 3a4k h ILE 46 Cb 2.04 1.18 0.00 0.00 0.47 0.00 0.00 36.82 40.50 3a4k h ILE 46 CO -0.02 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.67 3a4k n GLY 47 N -0.44 -1.54 3.31 8.18 0.00 -1.26 -4.62 105.19 108.83 3a4k n GLY 47 Ca -0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.08 3.46 0.15 -0.61 1.01 -0.94 -2.45 121.20 118.74 3a4k s ILE 48 Ca 0.11 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 3a4k s ILE 48 Cb 0.14 -2.62 -0.07 0.00 0.01 0.00 0.00 42.46 39.93 3a4k s ILE 48 CO 0.53 0.36 0.99 -0.76 0.00 0.00 0.00 174.94 176.05 3a4k s LEU 49 N 1.48 4.53 0.41 2.97 1.43 -0.96 -4.94 118.68 123.58 3a4k s LEU 49 Ca 0.05 1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 54.78 3a4k s LEU 49 Cb -0.15 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.38 3a4k s LEU 49 CO -0.02 -0.05 1.39 -2.84 0.23 0.00 0.00 176.35 175.06 3a4k s PRO 50 N -0.34 3.94 0.45 1.29 0.02 -1.26 -4.35 135.00 134.76 3a4k s PRO 50 Ca 0.46 2.36 0.11 0.00 0.02 0.00 0.00 61.00 63.94 3a4k s PRO 50 Cb -0.25 -2.80 1.02 0.00 0.02 0.00 0.00 34.50 32.48 3a4k s PRO 50 CO 0.31 -0.59 2.09 0.93 -0.33 0.00 0.00 177.00 179.42 3a4k h GLU 51 N 2.70 0.32 0.00 5.54 4.39 -1.95 -2.70 114.58 122.89 3a4k h GLU 51 Ca -0.50 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 3a4k h GLU 51 Cb 1.25 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3a4k h GLU 51 CO 0.63 0.22 -0.04 0.00 -1.16 0.00 0.00 179.01 178.66 3a4k h ALA 52 N 1.84 1.24 -2.90 3.43 0.00 -1.91 -3.43 119.26 117.54 3a4k h ALA 52 Ca 0.09 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.39 3a4k h ALA 52 Cb -0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3a4k h ALA 52 CO -0.02 0.04 -0.13 0.42 0.00 0.00 0.00 179.25 179.57 3a4k s ILE 53 N -4.27 5.18 0.03 0.00 1.01 -1.02 -5.03 121.20 117.10 3a4k s ILE 53 Ca -0.04 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 3a4k s ILE 53 Cb 0.13 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 3a4k s ILE 53 CO 0.52 0.31 1.24 -0.75 0.00 0.00 0.00 174.94 176.25 3a4k s LYS 54 N 0.71 4.39 0.37 2.79 2.20 -1.26 -4.88 119.74 124.06 3a4k s LYS 54 Ca 0.26 1.79 -0.25 0.00 -0.36 0.00 0.00 55.97 57.41 3a4k s LYS 54 Cb -0.15 -3.42 -0.12 0.00 -1.51 0.00 0.00 37.83 32.63 3a4k s LYS 54 CO 0.10 -0.35 0.98 -2.30 -0.36 0.00 0.00 175.35 173.42 3a4k n PRO 55 N 4.39 1.31 -0.30 4.03 -0.02 -1.26 -1.95 135.00 141.20 3a4k n PRO 55 Ca 0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3a4k n PRO 55 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.83 0.00 -4.59 2.55 7.64 -1.26 -4.99 113.62 113.80 3a4k n SER 56 Ca 0.09 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 3a4k n SER 56 Cb 0.37 -1.19 0.21 0.00 -1.01 0.00 0.00 64.21 62.58 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 -2.60 1.91 0.20 6.43 1.04 -0.82 -4.91 113.70 114.94 3a4k s SER 57 Ca 0.00 1.45 -0.09 0.00 0.48 0.00 0.00 55.95 57.79 3a4k s SER 57 Cb 0.00 -2.16 0.12 0.00 0.10 0.00 0.00 66.02 64.08 3a4k s SER 57 CO 0.00 -3.61 1.74 0.74 0.98 0.00 0.00 173.24 173.09 3a4k h THR 58 N -2.22 1.26 -0.95 2.02 2.02 -1.94 -2.83 112.91 110.26 3a4k h THR 58 Ca -0.57 -0.85 0.09 0.00 0.77 0.00 0.00 66.41 65.86 3a4k h THR 58 Cb 1.32 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 3a4k h THR 58 CO 0.53 0.34 0.61 1.56 0.37 0.00 0.00 175.52 178.92 3a4k h GLN 59 N 1.04 0.96 -0.74 6.66 4.20 -1.93 0.18 115.11 125.48 3a4k h GLN 59 Ca 0.23 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3a4k h GLN 59 Cb 0.27 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3a4k h GLN 59 CO -0.01 0.64 0.26 1.49 -0.67 0.00 0.00 178.83 180.53 3a4k h GLU 60 N 0.99 1.14 -0.12 1.46 4.81 -1.73 -1.11 114.58 120.02 3a4k h GLU 60 Ca 0.44 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3a4k h GLU 60 Cb 0.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3a4k h GLU 60 CO -0.20 0.96 -0.44 0.87 -0.73 0.00 0.00 179.01 179.47 3a4k h LYS 61 N 1.09 0.28 -0.16 1.92 1.57 -1.11 -1.28 116.57 118.89 3a4k h LYS 61 Ca 0.24 -0.14 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 3a4k h LYS 61 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3a4k h LYS 61 CO -0.01 0.67 -0.70 -0.07 -0.57 0.00 0.00 179.45 178.76 3a4k h LEU 62 N 0.23 0.79 -0.80 2.94 3.38 -0.53 -0.65 115.31 120.66 3a4k h LEU 62 Ca 0.02 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3a4k h LEU 62 Cb 0.87 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3a4k h LEU 62 CO 0.07 1.26 0.40 0.15 0.09 0.00 0.00 178.44 180.41 3a4k h PHE 63 N 0.48 1.13 -0.21 1.13 3.57 -0.95 0.09 116.94 122.18 3a4k h PHE 63 Ca -0.03 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 3a4k h PHE 63 Cb 1.30 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3a4k h PHE 63 CO 0.07 0.81 0.09 1.03 -2.23 0.00 0.00 178.31 178.08 3a4k h SER 64 N 1.12 0.28 -0.73 0.41 0.87 -1.17 -2.28 113.55 112.04 3a4k h SER 64 Ca 0.28 -0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 3a4k h SER 64 Cb 0.09 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 3a4k h SER 64 CO -0.04 0.34 0.42 0.50 -0.53 0.00 0.00 176.83 177.52 3a4k h LYS 65 N 0.19 0.73 -1.01 2.24 1.63 -0.85 -0.69 116.57 118.81 3a4k h LYS 65 Ca 0.07 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.91 3a4k h LYS 65 Cb 0.14 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 3a4k h LYS 65 CO -0.01 0.48 0.65 0.00 -3.45 0.00 0.00 179.45 177.12 3a4k h ALA 66 N 1.38 1.44 -0.31 5.00 0.00 -0.80 -0.13 119.26 125.84 3a4k h ALA 66 Ca 0.33 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3a4k h ALA 66 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3a4k h ALA 66 CO -0.20 0.37 0.15 0.78 0.00 0.00 0.00 179.25 180.35 3a4k h GLY 67 N 1.12 0.42 0.62 0.00 0.00 -0.62 0.28 103.07 104.88 3a4k h GLY 67 Ca 0.46 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.76 3a4k h GLY 67 CO -0.21 0.08 0.51 -0.55 0.00 0.00 0.00 176.54 176.37 3a4k h ASP 68 N 0.31 0.76 -0.04 0.19 3.32 -0.34 -1.24 116.42 119.38 3a4k h ASP 68 Ca 0.13 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 3a4k h ASP 68 Cb 0.06 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.49 3a4k h ASP 68 CO -0.10 0.46 -0.46 0.40 -1.72 0.00 0.00 179.24 177.82 3a4k h ILE 69 N 0.88 1.43 -0.65 0.35 2.04 -0.58 -2.10 117.51 118.89 3a4k h ILE 69 Ca 0.39 -1.91 0.11 0.00 1.00 0.00 0.00 64.86 64.44 3a4k h ILE 69 Cb 0.27 2.46 -0.08 0.00 -0.74 0.00 0.00 36.82 38.73 3a4k h ILE 69 CO -0.21 0.55 0.23 0.58 0.00 0.00 0.00 178.15 179.31 3a4k h VAL 70 N -0.12 0.73 -0.11 1.67 2.07 -0.38 0.82 116.25 120.93 3a4k h VAL 70 Ca -0.05 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3a4k h VAL 70 Cb 1.15 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3a4k h VAL 70 CO 0.09 0.07 0.06 0.25 0.02 0.00 0.00 177.57 178.07 3a4k h LEU 71 N 0.40 0.13 -0.50 2.57 5.85 -1.12 0.59 115.31 123.24 3a4k h LEU 71 Ca 0.34 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3a4k h LEU 71 Cb 0.45 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3a4k h LEU 71 CO -0.34 0.15 0.26 0.00 -0.34 0.00 0.00 178.44 178.17 3a4k h ALA 72 N 0.99 0.63 -0.78 1.25 0.00 -1.07 0.16 119.26 120.44 3a4k h ALA 72 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a4k h ALA 72 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3a4k h ALA 72 CO -0.01 -0.07 0.44 -0.22 0.00 0.00 0.00 179.25 179.39 3a4k h LYS 73 N 0.52 1.09 -0.68 0.00 1.63 -0.46 -1.32 116.57 117.34 3a4k h LYS 73 Ca 0.21 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 3a4k h LYS 73 Cb 0.10 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 3a4k h LYS 73 CO -0.14 0.80 0.44 0.00 -3.45 0.00 0.00 179.45 177.10 3a4k h ALA 74 N 1.23 0.87 -0.58 5.00 0.00 0.67 -2.36 119.26 124.09 3a4k h ALA 74 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3a4k h ALA 74 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3a4k h ALA 74 CO -0.05 0.31 0.33 0.74 0.00 0.00 0.00 179.25 180.59 3a4k h PHE 75 N 0.93 0.62 -0.77 0.00 0.04 -0.55 -1.74 116.94 115.48 3a4k h PHE 75 Ca 0.25 0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.13 3a4k h PHE 75 Cb -0.08 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 37.81 3a4k h PHE 75 CO -0.02 0.33 0.41 1.96 -0.60 0.00 0.00 178.31 180.40 3a4k h GLN 76 N 0.65 0.68 0.00 1.51 4.20 -0.95 -0.66 115.11 120.54 3a4k h GLN 76 Ca 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3a4k h GLN 76 Cb 0.08 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3a4k h GLN 76 CO -0.13 0.45 0.00 -0.07 -0.67 0.00 0.00 178.83 178.41 3a4k h LEU 77 N 0.70 0.00 -0.81 1.46 3.38 -0.92 0.05 115.31 119.16 3a4k h LEU 77 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3a4k h LEU 77 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3a4k h LEU 77 CO -0.26 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.45 3a4k n LEU 78 N -2.33 1.23 -1.61 1.67 4.77 -0.31 -4.78 117.00 115.64 3a4k n LEU 78 Ca 0.02 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.45 3a4k n LEU 78 Cb 0.22 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3a4k n LEU 78 CO 0.20 0.24 0.08 -3.20 -1.33 0.00 0.00 177.39 173.37 3a4k n ASN 79 N -0.00 -3.30 -4.50 -1.43 5.15 0.00 -0.03 115.26 111.15 3a4k n ASN 79 Ca 0.18 -0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.68 3a4k n ASN 79 Cb 0.28 -2.07 -0.11 0.00 -0.53 0.00 0.00 39.78 37.35 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 -3.23 2.75 -0.15 1.20 1.02 -0.84 -4.27 118.68 115.17 3a4k s LEU 80 Ca 0.17 -0.55 -0.26 0.00 0.02 0.00 0.00 54.13 53.51 3a4k s LEU 80 Cb -0.08 -1.57 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 3a4k s LEU 80 CO 0.25 0.17 0.87 0.20 0.02 0.00 0.00 176.35 177.86 3a4k s ASN 81 N -2.23 7.03 -0.09 2.29 0.01 -0.45 -3.29 114.94 118.22 3a4k s ASN 81 Ca 0.19 1.27 -0.11 0.00 -0.71 0.00 0.00 52.86 53.50 3a4k s ASN 81 Cb -0.10 -2.48 0.03 0.00 0.41 0.00 0.00 41.25 39.11 3a4k s ASN 81 CO 0.11 -0.39 0.30 -0.55 -1.51 0.00 0.00 177.10 175.05 3a4k s SER 82 N 1.12 -0.28 0.01 -1.22 0.15 -1.26 -0.39 113.70 111.83 3a4k s SER 82 Ca 0.41 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.54 3a4k s SER 82 Cb -0.17 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 3a4k s SER 82 CO 0.14 -0.18 -0.02 -0.54 1.20 0.00 0.00 173.24 173.84 3a4k s LYS 83 N -0.17 0.21 0.42 5.44 1.02 -0.84 -4.81 119.74 121.01 3a4k s LYS 83 Ca -0.03 -0.30 -0.22 0.00 0.02 0.00 0.00 55.97 55.44 3a4k s LYS 83 Cb -0.03 -0.05 -0.10 0.00 -0.52 0.00 0.00 37.83 37.13 3a4k s LYS 83 CO 0.01 0.00 0.97 -1.25 -0.92 0.00 0.00 175.35 174.17 3a4k s PRO 84 N -0.66 4.21 0.08 -1.68 0.04 -1.26 -1.85 135.00 133.87 3a4k s PRO 84 Ca -0.06 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.07 3a4k s PRO 84 Cb -0.05 -2.29 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 3a4k s PRO 84 CO -0.00 -0.06 0.48 -0.51 0.04 0.00 0.00 177.00 176.95 3a4k s LEU 85 N -3.01 4.40 0.06 -3.56 1.43 0.14 -4.90 118.68 113.24 3a4k s LEU 85 Ca 0.61 1.00 -0.15 0.00 -1.03 0.00 0.00 54.13 54.56 3a4k s LEU 85 Cb -0.13 -2.98 -0.24 0.00 0.03 0.00 0.00 46.19 42.88 3a4k s LEU 85 CO 0.17 0.20 1.16 -0.08 0.23 0.00 0.00 176.35 178.03 3a4k h GLU 86 N 4.01 0.64 -6.11 1.70 4.81 -1.94 -3.47 114.58 114.23 3a4k h GLU 86 Ca -0.50 -0.69 -0.57 0.00 -0.13 0.00 0.00 59.36 57.47 3a4k h GLU 86 Cb 1.20 0.20 0.21 0.00 0.63 0.00 0.00 28.75 31.00 3a4k h GLU 86 CO 0.64 1.28 -1.42 1.04 -0.73 0.00 0.00 179.01 179.83 3a4k n GLN 87 N -3.93 0.01 0.00 1.92 1.13 -1.26 -5.16 117.38 110.09 3a4k n GLN 87 Ca -0.11 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 3a4k n GLN 87 Cb 0.84 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 30.06 3a4k n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a4k n GLY 89 N 2.88 0.00 3.94 1.08 0.00 -1.26 -4.85 105.19 106.98 3a4k n GLY 89 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -3.01 -3.81 1.61 5.15 -1.26 -4.96 115.26 108.98 3a4k n ASN 90 Ca 0.00 -0.87 -0.09 0.00 -0.60 0.00 0.00 54.58 53.01 3a4k n ASN 90 Cb 0.00 -3.55 -0.04 0.00 -0.53 0.00 0.00 39.78 35.66 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 -3.49 -0.69 0.78 5.20 0.00 -1.26 -4.94 121.76 117.37 3a4k s ALA 91 Ca 0.44 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3a4k s ALA 91 Cb -0.22 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3a4k s ALA 91 CO 0.86 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 176.24 3a4k n GLY 92 N -0.32 -0.46 0.06 0.00 0.00 -1.26 -5.05 105.19 98.16 3a4k n GLY 92 Ca -0.09 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 3a4k n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a4k n ASP 93 N -2.89 1.73 -3.81 1.61 8.00 -0.37 -4.81 116.55 116.01 3a4k n ASP 93 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3a4k n ASP 93 Cb 0.00 0.85 -0.11 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.34 0.03 -0.02 2.53 1.01 -0.84 -0.68 120.40 120.08 3a4k s VAL 94 Ca -0.07 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.72 3a4k s VAL 94 Cb 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 3a4k s VAL 94 CO 0.54 -0.14 -0.21 -0.63 0.00 0.00 0.00 175.10 174.66 3a4k s ILE 95 N -0.50 2.50 -0.01 2.22 -1.09 -0.77 -0.55 121.20 123.00 3a4k s ILE 95 Ca -0.06 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 3a4k s ILE 95 Cb -0.04 -1.93 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 3a4k s ILE 95 CO 0.01 0.56 -0.01 0.00 -1.23 0.00 0.00 174.94 174.27 3a4k s ALA 96 N -0.69 0.17 -0.06 9.38 0.00 -0.81 -1.99 121.76 127.76 3a4k s ALA 96 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.16 3a4k s ALA 96 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 3a4k s ALA 96 CO 0.00 -0.01 -0.24 -0.51 0.00 0.00 0.00 175.76 175.01 3a4k s LEU 97 N 0.34 2.04 0.29 0.00 1.43 0.48 -0.73 118.68 122.53 3a4k s LEU 97 Ca -0.03 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 3a4k s LEU 97 Cb -0.05 -1.31 -0.13 0.00 0.03 0.00 0.00 46.19 44.73 3a4k s LEU 97 CO -0.01 0.22 1.40 -0.24 0.23 0.00 0.00 176.35 177.95 3a4k n SER 98 N 3.04 2.95 -0.04 2.29 2.88 0.08 -1.34 113.62 123.48 3a4k n SER 98 Ca -0.18 1.17 -0.21 0.00 -1.33 0.00 0.00 58.87 58.32 3a4k n SER 98 Cb 0.52 -1.48 -0.13 0.00 -0.75 0.00 0.00 64.21 62.37 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 1.49 0.72 0.04 -1.46 5.02 -1.26 -4.60 118.16 118.11 3a4k n LYS 99 Ca 0.08 0.26 0.02 0.00 -2.02 0.00 0.00 58.31 56.65 3a4k n LYS 99 Cb 0.34 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 3a4k n LYS 99 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a4k n GLU 100 N -3.51 0.62 0.00 1.97 -0.58 -1.26 -4.96 120.64 112.92 3a4k n GLU 100 Ca -0.36 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3a4k n GLU 100 Cb 1.01 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 3a4k n GLU 100 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3a4k n PHE 101 N -2.83 0.00 -3.59 -0.32 3.72 -1.26 -4.92 117.46 108.26 3a4k n PHE 101 Ca -0.08 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.04 3a4k n PHE 101 Cb 0.79 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.22 3a4k n PHE 101 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a4k s ASN 102 N 1.00 2.78 -0.04 4.37 3.04 -1.26 -4.70 114.94 120.12 3a4k s ASN 102 Ca 0.00 -3.31 -0.29 0.00 0.04 0.00 0.00 52.86 49.29 3a4k s ASN 102 Cb 0.00 -0.89 0.11 0.00 -1.54 0.00 0.00 41.25 38.93 3a4k s ASN 102 CO 0.00 -0.15 0.93 -0.72 -3.04 0.00 0.00 177.10 174.12 3a4k s TYR 103 N -0.45 -0.33 0.17 0.43 -0.85 -1.26 -5.04 117.35 110.02 3a4k s TYR 103 Ca 0.29 0.26 0.01 0.00 -0.52 0.00 0.00 57.07 57.10 3a4k s TYR 103 Cb -0.01 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 3a4k s TYR 103 CO -0.17 -0.49 0.04 0.20 -1.52 0.00 0.00 175.55 173.60 3a4k s GLY 104 N -2.29 1.22 0.04 5.49 0.00 -1.26 -0.74 107.32 109.78 3a4k s GLY 104 Ca 0.04 -1.59 -0.09 0.00 0.00 0.00 0.00 44.72 43.09 3a4k s GLY 104 CO -0.07 -1.47 0.18 0.48 0.00 0.00 0.00 173.10 172.21 3a4k s LEU 105 N -3.15 1.45 0.02 0.66 0.05 0.09 -1.54 118.68 116.26 3a4k s LEU 105 Ca 0.26 -0.40 0.02 0.00 0.05 0.00 0.00 54.13 54.06 3a4k s LEU 105 Cb 0.07 0.89 -0.04 0.00 -2.05 0.00 0.00 46.19 45.06 3a4k s LEU 105 CO 0.05 -0.55 0.02 0.54 -0.55 0.00 0.00 176.35 175.85 3a4k s VAL 106 N -2.59 4.23 0.12 1.48 0.11 -0.56 -1.93 120.40 121.27 3a4k s VAL 106 Ca -0.05 -0.65 0.05 0.00 -2.93 0.00 0.00 61.98 58.40 3a4k s VAL 106 Cb -0.01 -2.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.87 3a4k s VAL 106 CO -0.04 0.31 -0.12 0.00 -3.33 0.00 0.00 175.10 171.92 3a4k s ALA 107 N -1.16 1.38 -0.09 1.54 0.00 0.29 -0.71 121.76 123.00 3a4k s ALA 107 Ca 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3a4k s ALA 107 Cb -0.12 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3a4k s ALA 107 CO 0.13 0.04 -0.07 0.34 0.00 0.00 0.00 175.76 176.19 3a4k s ASP 108 N -2.54 1.91 0.21 0.00 2.15 -0.01 -1.23 116.67 117.15 3a4k s ASP 108 Ca 0.09 -0.26 -0.26 0.00 0.43 0.00 0.00 52.55 52.55 3a4k s ASP 108 Cb -0.03 -0.75 -0.09 0.00 -0.30 0.00 0.00 42.92 41.75 3a4k s ASP 108 CO 0.02 -0.09 0.83 0.00 -0.17 0.00 0.00 175.17 175.76 3a4k s ALA 109 N 1.47 3.39 -0.03 3.66 0.00 -1.26 0.02 121.76 129.01 3a4k s ALA 109 Ca -0.00 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 3a4k s ALA 109 Cb -0.13 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3a4k s ALA 109 CO -0.05 0.26 0.14 0.15 0.00 0.00 0.00 175.76 176.26 3a4k s LYS 110 N -1.38 0.31 0.05 0.00 1.02 -0.25 -4.91 119.74 114.58 3a4k s LYS 110 Ca 0.40 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.31 3a4k s LYS 110 Cb -0.22 0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 3a4k s LYS 110 CO 0.27 -0.06 -0.04 -1.12 -0.92 0.00 0.00 175.35 173.48 3a4k s SER 111 N -0.59 0.53 0.02 2.83 0.01 -1.26 -3.91 113.70 111.34 3a4k s SER 111 Ca -0.07 -0.86 0.01 0.00 1.31 0.00 0.00 55.95 56.34 3a4k s SER 111 Cb -0.04 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 3a4k s SER 111 CO 0.01 -0.50 -0.05 -0.36 0.41 0.00 0.00 173.24 172.76 3a4k s PHE 112 N -3.19 0.40 0.64 2.43 0.08 -1.03 -4.92 117.98 112.39 3a4k s PHE 112 Ca 0.01 -0.42 -0.17 0.00 0.12 0.00 0.00 56.93 56.47 3a4k s PHE 112 Cb 0.03 -0.26 -0.01 0.00 -0.57 0.00 0.00 43.02 42.21 3a4k s PHE 112 CO -0.07 -0.11 1.19 1.03 -0.10 0.00 0.00 175.22 177.16 3a4k s ARG 113 N -1.21 2.74 0.54 0.44 0.52 -1.26 -2.28 118.95 118.44 3a4k s ARG 113 Ca -0.10 1.75 0.22 0.00 -0.52 0.00 0.00 55.73 57.07 3a4k s ARG 113 Cb -0.08 -1.91 1.40 0.00 0.52 0.00 0.00 34.95 34.88 3a4k s ARG 113 CO -0.00 -1.36 2.10 -0.07 0.02 0.00 0.00 175.30 175.99 3a4k h LEU 114 N 0.48 0.00 0.00 2.53 3.38 -1.95 -0.25 115.31 119.49 3a4k h LEU 114 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3a4k h LEU 114 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3a4k h LEU 114 CO 0.54 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 3a4k n SER 115 N -4.34 0.00 -4.74 -0.43 3.41 -1.26 -4.90 113.62 101.36 3a4k n SER 115 Ca 0.02 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 3a4k n SER 115 Cb 0.28 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.17 2.71 0.00 4.33 3.00 -0.11 -4.98 116.66 120.44 3a4k n ARG 116 Ca 0.17 0.97 0.00 0.00 -0.00 0.00 0.00 57.85 58.98 3a4k n ARG 116 Cb 0.17 -2.76 0.00 0.00 0.00 0.00 0.00 32.46 29.87 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 2.42 0.00 -2.07 5.15 -2.24 -1.26 -4.95 114.28 111.33 3a4k n THR 117 Ca 0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 3a4k n THR 117 Cb 0.36 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 3.63 -0.71 6.98 0.00 -1.26 -4.96 121.76 121.45 3a4k s ALA 118 Ca 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 3a4k s ALA 118 Cb 0.00 -3.65 0.18 0.00 0.00 0.00 0.00 23.12 19.65 3a4k s ALA 118 CO 0.00 -1.03 0.64 0.15 0.00 0.00 0.00 175.76 175.52 3a4k s LYS 119 N 2.57 3.27 0.41 0.00 3.01 -1.26 -5.04 119.74 122.70 3a4k s LYS 119 Ca 0.69 -2.23 -0.22 0.00 -1.01 0.00 0.00 55.97 53.20 3a4k s LYS 119 Cb -0.36 -4.30 -0.11 0.00 -1.01 0.00 0.00 37.83 32.06 3a4k s LYS 119 CO 0.29 -1.28 0.95 -0.80 0.51 0.00 0.00 175.35 175.02 3a4k s ASN 120 N 2.43 7.01 0.31 2.83 0.01 -1.26 -4.93 114.94 121.33 3a4k s ASN 120 Ca 0.13 1.73 0.03 0.00 -0.71 0.00 0.00 52.86 54.04 3a4k s ASN 120 Cb -0.17 -2.55 0.63 0.00 0.41 0.00 0.00 41.25 39.56 3a4k s ASN 120 CO -0.05 -0.31 1.86 0.06 -1.51 0.00 0.00 177.10 177.16 3a4k h GLN 121 N 2.17 0.89 0.00 -0.60 -0.00 -2.02 0.89 115.11 116.44 3a4k h GLN 121 Ca -0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 3a4k h GLN 121 Cb 1.18 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 3a4k h GLN 121 CO 0.62 0.59 0.00 1.57 -0.00 0.00 0.00 178.83 181.61 3a4k h LYS 122 N 0.92 0.00 0.00 0.06 2.10 -2.02 -2.79 116.57 114.83 3a4k h LYS 122 Ca 0.46 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.03 3a4k h LYS 122 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 3a4k h LYS 122 CO -0.22 0.00 -0.41 -0.44 -2.00 0.00 0.00 179.45 176.38 3a4k h ASP 123 N 0.00 0.00 1.22 7.07 3.32 -1.18 -2.67 116.42 124.18 3a4k h ASP 123 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3a4k h ASP 123 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3a4k h ASP 123 CO 0.00 0.41 -0.28 -0.26 -1.72 0.00 0.00 179.24 177.38 3a4k h PHE 124 N 0.00 0.00 -6.61 4.55 0.04 -1.55 -3.48 116.94 109.90 3a4k h PHE 124 Ca -0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 3a4k h PHE 124 Cb 0.92 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.92 3a4k h PHE 124 CO 0.00 0.28 -0.82 1.63 -0.60 0.00 0.00 178.31 178.80 3a4k n LYS 125 N -3.30 -3.76 -0.00 1.51 5.02 -1.01 -4.86 118.16 111.76 3a4k n LYS 125 Ca 0.01 0.43 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 3a4k n LYS 125 Cb 0.53 -5.12 -0.03 0.00 -0.02 0.00 0.00 35.03 30.39 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 -1.69 0.63 -0.24 -0.18 2.07 -1.89 -0.59 116.25 114.37 3a4k h VAL 126 Ca -0.59 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 3a4k h VAL 126 Cb 1.38 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3a4k h VAL 126 CO 0.73 0.00 -0.49 0.11 0.02 0.00 0.00 177.57 177.95 3a4k h LYS 127 N -0.16 0.64 -0.21 1.57 1.57 -1.90 -0.67 116.57 117.41 3a4k h LYS 127 Ca 0.09 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.51 3a4k h LYS 127 Cb 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3a4k h LYS 127 CO -0.22 0.98 0.08 0.00 -0.57 0.00 0.00 179.45 179.72 3a4k h ALA 128 N 0.95 0.24 -0.92 3.86 0.00 -1.89 -2.67 119.26 118.82 3a4k h ALA 128 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3a4k h ALA 128 Cb 1.03 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3a4k h ALA 128 CO 0.10 -0.34 0.60 1.25 0.00 0.00 0.00 179.25 180.86 3a4k h LEU 129 N 0.19 0.94 -0.56 0.00 5.85 -0.75 -0.84 115.31 120.13 3a4k h LEU 129 Ca 0.09 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3a4k h LEU 129 Cb 0.04 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3a4k h LEU 129 CO -0.08 0.61 0.23 -1.28 -0.34 0.00 0.00 178.44 177.58 3a4k h SER 130 N 1.07 0.27 -0.50 1.25 0.87 -0.80 -1.82 113.55 113.90 3a4k h SER 130 Ca 0.39 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.92 3a4k h SER 130 Cb 0.16 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3a4k h SER 130 CO -0.14 0.18 0.00 -0.33 -0.53 0.00 0.00 176.83 176.01 3a4k h GLU 131 N 0.44 0.93 0.00 2.24 4.39 -1.12 -2.96 114.58 118.50 3a4k h GLU 131 Ca 0.27 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3a4k h GLU 131 Cb 0.28 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3a4k h GLU 131 CO -0.25 0.92 0.00 -1.49 -1.16 0.00 0.00 179.01 177.03 3a4k h TRP 132 N 0.86 0.00 -0.10 4.33 6.55 -0.32 -1.65 115.95 125.61 3a4k h TRP 132 Ca 0.16 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.97 3a4k h TRP 132 Cb 0.50 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.80 3a4k h TRP 132 CO 0.03 0.00 -0.06 0.07 -1.05 0.00 0.00 178.44 177.43 3a4k h ARG 133 N 0.00 0.14 0.00 0.49 0.11 -1.31 -3.42 114.38 110.39 3a4k h ARG 133 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3a4k h ARG 133 Cb 0.04 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.09 3a4k h ARG 133 CO 0.00 0.21 0.00 0.39 0.10 0.00 0.00 179.97 180.67 3a4k n GLU 134 N -4.39 0.00 0.00 0.08 1.02 -0.62 -1.32 120.64 115.41 3a4k n GLU 134 Ca -0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 3a4k n GLU 134 Cb 0.19 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 31.97 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 8.89 1.34 -4.87 1.62 5.75 -1.26 -4.90 116.55 123.12 3a4k n ASP 135 Ca 0.00 -1.17 -0.31 0.00 -0.01 0.00 0.00 54.79 53.30 3a4k n ASP 135 Cb 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 -2.34 3.67 -0.03 0.11 3.01 -0.43 -4.98 119.74 118.75 3a4k s LYS 136 Ca 0.28 0.77 -0.20 0.00 -1.01 0.00 0.00 55.97 55.81 3a4k s LYS 136 Cb 0.20 -2.10 -0.33 0.00 -1.01 0.00 0.00 37.83 34.59 3a4k s LYS 136 CO 0.46 -0.49 0.92 -0.44 0.51 0.00 0.00 175.35 176.31 3a4k h ASP 137 N -0.04 0.58 -2.31 2.83 3.32 -1.59 -3.47 116.42 115.74 3a4k h ASP 137 Ca -0.45 -0.95 -0.58 0.00 0.02 0.00 0.00 57.03 55.08 3a4k h ASP 137 Cb 1.19 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.44 3a4k h ASP 137 CO 0.62 1.49 -0.69 -0.31 -1.72 0.00 0.00 179.24 178.63 3a4k s TYR 138 N -2.48 2.58 -0.04 4.55 2.02 -0.80 -5.02 117.35 118.16 3a4k s TYR 138 Ca -0.12 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3a4k s TYR 138 Cb 0.02 -1.15 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 3a4k s TYR 138 CO 0.86 0.63 -0.04 0.00 -1.57 0.00 0.00 175.55 175.43 3a4k s ALA 139 N -2.29 0.65 -0.23 3.71 0.00 -1.26 -1.49 121.76 120.85 3a4k s ALA 139 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 3a4k s ALA 139 Cb -0.06 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.73 3a4k s ALA 139 CO 0.18 0.00 0.02 0.08 0.00 0.00 0.00 175.76 176.05 3a4k s VAL 140 N 0.86 0.86 -0.26 0.00 1.01 0.11 -0.90 120.40 122.09 3a4k s VAL 140 Ca -0.11 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 3a4k s VAL 140 Cb -0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3a4k s VAL 140 CO 0.00 -0.28 0.67 -0.22 0.00 0.00 0.00 175.10 175.28 3a4k s LEU 141 N 1.68 4.07 -0.42 3.92 0.20 0.10 -0.83 118.68 127.41 3a4k s LEU 141 Ca -0.00 0.73 -0.06 0.00 0.69 0.00 0.00 54.13 55.49 3a4k s LEU 141 Cb -0.18 -2.92 0.10 0.00 -0.43 0.00 0.00 46.19 42.77 3a4k s LEU 141 CO -0.11 -0.42 0.23 -0.89 -0.29 0.00 0.00 176.35 174.87 3a4k s THR 142 N 2.60 3.72 0.36 3.68 2.01 0.10 0.53 115.64 128.64 3a4k s THR 142 Ca 0.28 -1.76 0.04 0.00 0.31 0.00 0.00 61.69 60.55 3a4k s THR 142 Cb -0.15 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 3a4k s THR 142 CO 0.09 -0.61 0.07 0.00 -0.69 0.00 0.00 174.62 173.48 3a4k s ALA 143 N 1.28 2.65 0.03 7.40 0.00 -1.01 -1.09 121.76 131.02 3a4k s ALA 143 Ca 0.05 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 3a4k s ALA 143 Cb -0.23 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.44 3a4k s ALA 143 CO -0.01 -0.30 1.77 -2.14 0.00 0.00 0.00 175.76 175.08 3a4k s PRO 144 N -3.84 4.17 0.21 0.00 0.02 -1.25 -2.52 135.00 131.78 3a4k s PRO 144 Ca 0.31 2.41 -0.10 0.00 0.02 0.00 0.00 61.00 63.64 3a4k s PRO 144 Cb 0.07 -3.89 0.29 0.00 0.02 0.00 0.00 34.50 30.98 3a4k s PRO 144 CO 0.14 -0.85 1.71 0.35 -0.33 0.00 0.00 177.00 178.03 3a4k h PHE 145 N 9.43 0.23 -0.00 6.54 3.57 -1.93 -1.46 116.94 133.32 3a4k h PHE 145 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3a4k h PHE 145 Cb 1.21 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3a4k h PHE 145 CO 0.87 -0.01 -0.02 1.19 -2.23 0.00 0.00 178.31 178.11 3a4k n PHE 146 N -5.11 0.00 1.32 0.41 3.72 -1.26 -2.41 117.46 114.13 3a4k n PHE 146 Ca 0.09 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.62 3a4k n PHE 146 Cb 0.31 -0.16 0.37 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.09 1.79 -2.55 -1.08 1.13 -0.55 -4.94 117.38 110.10 3a4k n GLN 147 Ca 0.18 -1.22 -0.35 0.00 -1.94 0.00 0.00 57.00 53.67 3a4k n GLN 147 Cb 0.20 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 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 -2.05 3.08 0.47 1.08 2.02 -1.01 -4.92 117.35 116.01 3a4k s TYR 148 Ca 0.33 1.60 -0.24 0.00 -0.37 0.00 0.00 57.07 58.39 3a4k s TYR 148 Cb 0.20 -3.08 -0.08 0.00 -0.40 0.00 0.00 41.96 38.60 3a4k s TYR 148 CO 0.35 -0.76 1.38 -0.35 -1.57 0.00 0.00 175.55 174.59 3a4k n PRO 149 N -0.70 2.04 0.09 -1.71 -0.04 -1.26 -4.91 135.00 128.51 3a4k n PRO 149 Ca 0.08 0.73 0.07 0.00 -0.04 0.00 0.00 63.50 64.34 3a4k n PRO 149 Cb 0.52 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 3a4k n PRO 149 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3a4k h THR 150 N 2.03 0.21 0.00 0.52 1.35 -1.95 -3.43 112.91 111.63 3a4k h THR 150 Ca -0.50 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 3a4k h THR 150 Cb 1.28 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3a4k h THR 150 CO 0.60 0.12 -0.38 0.41 -0.25 0.00 0.00 175.52 176.01 3a4k n THR 151 N -2.79 0.43 -3.63 6.82 -1.04 -1.26 -4.81 114.28 107.99 3a4k n THR 151 Ca -0.03 0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 62.02 3a4k n THR 151 Cb 0.66 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 3a4k n THR 151 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3a4k s LYS 152 N -2.00 1.39 -0.30 -2.82 -2.85 -1.26 -1.25 119.74 110.66 3a4k s LYS 152 Ca 0.00 -0.72 -0.27 0.00 -1.00 0.00 0.00 55.97 53.97 3a4k s LYS 152 Cb 0.00 0.56 0.20 0.00 -2.06 0.00 0.00 37.83 36.53 3a4k s LYS 152 CO 0.00 -0.61 1.42 0.45 0.10 0.00 0.00 175.35 176.71 3a4k s SER 153 N -2.83 -0.02 0.55 0.03 0.15 0.02 -4.88 113.70 106.72 3a4k s SER 153 Ca 0.06 0.03 0.29 0.00 0.70 0.00 0.00 55.95 57.03 3a4k s SER 153 Cb -0.02 0.03 1.46 0.00 -1.71 0.00 0.00 66.02 65.78 3a4k s SER 153 CO -0.06 -0.01 1.92 1.56 1.20 0.00 0.00 173.24 177.85 3a4k h GLN 154 N 2.49 0.00 0.00 5.44 4.20 -1.96 -2.22 115.11 123.05 3a4k h GLN 154 Ca -0.16 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 3a4k h GLN 154 Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 3a4k h GLN 154 CO 0.20 0.00 -0.35 -0.84 -0.67 0.00 0.00 178.83 177.17 3a4k h ILE 155 N 0.00 1.05 -0.65 2.54 3.07 -1.91 0.10 117.51 121.70 3a4k h ILE 155 Ca 0.31 -1.28 -0.07 0.00 1.55 0.00 0.00 64.86 65.37 3a4k h ILE 155 Cb 1.35 1.73 -0.03 0.00 -0.27 0.00 0.00 36.82 39.60 3a4k h ILE 155 CO -0.00 0.34 0.13 -0.26 -1.05 0.00 0.00 178.15 177.31 3a4k h PHE 156 N 0.00 1.13 -0.21 0.16 0.04 -1.68 -0.72 116.94 115.66 3a4k h PHE 156 Ca -0.00 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.50 3a4k h PHE 156 Cb 0.70 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 3a4k h PHE 156 CO 0.00 0.94 -0.34 -0.22 -0.60 0.00 0.00 178.31 178.09 3a4k h LYS 157 N 0.99 0.60 -0.94 1.51 3.64 -1.17 -2.38 116.57 118.83 3a4k h LYS 157 Ca 0.20 -0.37 0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3a4k h LYS 157 Cb 0.40 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 3a4k h LYS 157 CO 0.01 0.98 0.60 1.96 -2.27 0.00 0.00 179.45 180.73 3a4k h GLN 158 N 0.29 0.91 -0.27 1.90 4.20 -0.76 -0.48 115.11 120.89 3a4k h GLN 158 Ca 0.02 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3a4k h GLN 158 Cb 0.93 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3a4k h GLN 158 CO 0.08 0.60 -0.05 1.03 -0.67 0.00 0.00 178.83 179.82 3a4k h SER 159 N 0.94 0.52 -0.20 1.46 0.87 -0.88 -0.58 113.55 115.68 3a4k h SER 159 Ca 0.44 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3a4k h SER 159 Cb 0.43 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3a4k h SER 159 CO -0.20 0.75 0.03 -0.07 -0.53 0.00 0.00 176.83 176.81 3a4k h LEU 160 N 0.28 0.32 -1.11 2.23 3.38 -1.24 -0.05 115.31 119.12 3a4k h LEU 160 Ca 0.07 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3a4k h LEU 160 Cb 0.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3a4k h LEU 160 CO 0.02 0.50 -0.07 0.44 0.09 0.00 0.00 178.44 179.42 3a4k h ASP 161 N 0.13 0.52 -0.02 -0.43 3.32 -1.05 -3.14 116.42 115.76 3a4k h ASP 161 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3a4k h ASP 161 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3a4k h ASP 161 CO 0.00 0.64 -0.24 -0.62 -1.72 0.00 0.00 179.24 177.31 3a4k n GLU 162 N -4.23 1.65 -3.47 3.56 -0.58 -0.23 -4.99 120.64 112.34 3a4k n GLU 162 Ca 0.01 -1.30 -0.24 0.00 -0.42 0.00 0.00 57.16 55.21 3a4k n GLU 162 Cb 0.29 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 29.82 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 0.50 -5.99 -4.15 1.62 5.15 -0.14 -4.97 115.26 107.28 3a4k n ASN 163 Ca 0.10 -0.86 -0.34 0.00 -0.60 0.00 0.00 54.58 52.88 3a4k n ASN 163 Cb 0.47 -4.24 -0.15 0.00 -0.53 0.00 0.00 39.78 35.33 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 -3.42 2.52 -0.11 3.44 1.01 -0.54 -4.24 120.40 119.07 3a4k s VAL 164 Ca 0.46 -1.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3a4k s VAL 164 Cb -0.12 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 3a4k s VAL 164 CO 0.80 0.25 1.91 -0.22 0.00 0.00 0.00 175.10 177.85 3a4k s LEU 165 N 1.27 4.02 -1.09 3.92 2.96 -0.08 -4.65 118.68 125.04 3a4k s LEU 165 Ca -0.00 2.15 -0.22 0.00 -0.22 0.00 0.00 54.13 55.84 3a4k s LEU 165 Cb -0.16 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.05 3a4k s LEU 165 CO -0.07 -1.34 1.53 -0.76 -1.32 0.00 0.00 176.35 174.39 3a4k s LEU 166 N 5.64 3.57 0.00 -0.68 1.43 -1.26 0.01 118.68 127.39 3a4k s LEU 166 Ca 0.86 -1.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 3a4k s LEU 166 Cb -0.35 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 43.40 3a4k s LEU 166 CO 0.35 -1.45 0.79 0.33 0.23 0.00 0.00 176.35 176.61 3a4k n PHE 167 N 8.86 -2.48 -3.68 0.29 7.35 0.19 -4.98 117.46 123.00 3a4k n PHE 167 Ca 0.37 -1.91 -0.14 0.00 -0.76 0.00 0.00 57.45 55.01 3a4k n PHE 167 Cb 0.50 -0.55 -0.07 0.00 0.35 0.00 0.00 39.48 39.70 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 -4.47 -0.31 0.29 -2.13 1.04 -1.26 -2.39 113.70 104.47 3a4k s SER 168 Ca 0.58 0.17 0.02 0.00 0.48 0.00 0.00 55.95 57.20 3a4k s SER 168 Cb -0.04 0.39 0.57 0.00 0.10 0.00 0.00 66.02 67.04 3a4k s SER 168 CO 0.37 -0.55 1.84 -0.50 0.98 0.00 0.00 173.24 175.38 3a4k h TRP 169 N 3.42 1.13 -0.14 5.02 4.06 -1.80 -0.33 115.95 127.31 3a4k h TRP 169 Ca -0.30 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.68 3a4k h TRP 169 Cb 1.18 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 3a4k h TRP 169 CO 0.46 0.45 0.07 0.93 -3.56 0.00 0.00 178.44 176.78 3a4k h GLU 170 N 0.98 0.19 -0.34 0.49 3.07 -1.88 0.18 114.58 117.27 3a4k h GLU 170 Ca 0.50 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 59.17 3a4k h GLU 170 Cb 0.50 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3a4k h GLU 170 CO -0.26 0.24 -0.41 0.45 -1.40 0.00 0.00 179.01 177.63 3a4k h HIS 171 N 0.10 1.07 -0.67 4.33 3.86 -1.91 -0.33 115.15 121.61 3a4k h HIS 171 Ca 0.05 -0.34 0.08 0.00 -1.16 0.00 0.00 60.37 59.00 3a4k h HIS 171 Cb 0.11 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.29 3a4k h HIS 171 CO -0.03 1.16 0.33 1.25 0.86 0.00 0.00 177.93 181.49 3a4k h LEU 172 N 0.68 0.43 -0.69 2.43 5.85 -0.82 -1.56 115.31 121.63 3a4k h LEU 172 Ca 0.05 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3a4k h LEU 172 Cb 1.01 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3a4k h LEU 172 CO 0.10 0.26 0.02 0.00 -0.34 0.00 0.00 178.44 178.48 3a4k h ALA 173 N 1.40 0.90 -0.60 1.25 0.00 -0.21 -2.38 119.26 119.61 3a4k h ALA 173 Ca 0.32 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3a4k h ALA 173 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a4k h ALA 173 CO -0.25 0.66 0.38 0.82 0.00 0.00 0.00 179.25 180.87 3a4k h ILE 174 N 0.95 1.12 -0.47 0.00 2.04 -0.70 0.21 117.51 120.67 3a4k h ILE 174 Ca 0.17 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3a4k h ILE 174 Cb 0.52 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3a4k h ILE 174 CO 0.03 0.14 0.24 -0.07 0.00 0.00 0.00 178.15 178.49 3a4k h LEU 175 N 0.77 0.60 -0.21 1.44 3.38 -0.95 -1.66 115.31 118.67 3a4k h LEU 175 Ca 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3a4k h LEU 175 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3a4k h LEU 175 CO -0.07 0.54 0.01 -0.07 0.09 0.00 0.00 178.44 178.94 3a4k h LEU 176 N 0.61 0.35 -2.15 1.67 3.38 -1.09 -1.11 115.31 116.98 3a4k h LEU 176 Ca 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3a4k h LEU 176 Cb 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3a4k h LEU 176 CO -0.02 0.56 -0.03 -0.61 0.09 0.00 0.00 178.44 178.42 3a4k h GLN 177 N 0.14 0.00 -0.59 1.13 5.75 -0.44 -0.03 115.11 121.08 3a4k h GLN 177 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3a4k h GLN 177 Cb 0.37 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.92 3a4k h GLN 177 CO 0.01 0.03 0.00 1.28 -2.65 0.00 0.00 178.83 177.50 3a4k n LEU 178 N -4.17 3.48 -2.56 -2.39 4.77 -0.64 -4.94 117.00 110.56 3a4k n LEU 178 Ca -0.03 -1.68 -0.20 0.00 -0.03 0.00 0.00 56.01 54.06 3a4k n LEU 178 Cb 0.11 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3a4k n LEU 178 CO 0.31 0.84 -0.20 0.47 -1.33 0.00 0.00 177.39 177.49 3a4k n ASP 179 N 1.42 -5.73 -4.67 -1.43 8.00 -0.02 -4.96 116.55 109.16 3a4k n ASP 179 Ca 0.22 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 3a4k n ASP 179 Cb 0.56 -4.75 -0.03 0.00 -0.02 0.00 0.00 41.12 36.89 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 -6.15 4.16 0.15 0.64 1.43 -0.45 -5.04 118.68 113.42 3a4k s LEU 180 Ca 0.07 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 3a4k s LEU 180 Cb -0.03 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 3a4k s LEU 180 CO 0.09 -0.48 0.04 -1.83 0.23 0.00 0.00 176.35 174.40 3a4k s GLU 181 N 2.42 1.02 -0.11 1.70 -1.05 -1.26 -4.68 118.70 116.74 3a4k s GLU 181 Ca 0.41 -1.49 -0.30 0.00 -0.15 0.00 0.00 54.97 53.45 3a4k s GLU 181 Cb -0.16 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.53 3a4k s GLU 181 CO 0.12 -0.21 1.01 -2.00 0.95 0.00 0.00 175.26 175.13 3a4k s GLU 182 N -3.99 4.41 0.31 -4.83 2.12 0.95 -4.94 118.70 112.73 3a4k s GLU 182 Ca 0.25 1.39 0.03 0.00 0.36 0.00 0.00 54.97 56.99 3a4k s GLU 182 Cb 0.07 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 3a4k s GLU 182 CO 0.03 -0.34 0.11 0.95 -0.54 0.00 0.00 175.26 175.47 3a4k s THR 183 N 2.09 0.66 0.62 -1.70 -4.23 -0.64 -4.75 115.64 107.69 3a4k s THR 183 Ca 0.48 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.32 3a4k s THR 183 Cb -0.18 -2.60 0.37 0.00 1.34 0.00 0.00 72.50 71.43 3a4k s THR 183 CO 0.17 0.00 2.16 -0.55 -0.54 0.00 0.00 174.62 175.86 3a4k h ASN 184 N 2.19 0.00 -0.08 3.99 -1.07 -1.96 -1.20 115.58 117.45 3a4k h ASN 184 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.00 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 0.60 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.40 3a4k n ILE 185 N -3.53 0.10 -3.42 6.14 -5.35 -1.26 -4.91 119.36 107.13 3a4k n ILE 185 Ca -0.01 -0.55 -0.10 0.00 -0.27 0.00 0.00 62.75 61.83 3a4k n ILE 185 Cb 0.24 1.28 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.43 -0.78 0.04 4.28 5.36 -0.45 -5.14 117.98 119.84 3a4k s PHE 186 Ca 0.22 0.93 -0.21 0.00 -0.96 0.00 0.00 56.93 56.91 3a4k s PHE 186 Cb 0.15 0.05 -0.06 0.00 -0.34 0.00 0.00 43.02 42.82 3a4k s PHE 186 CO 0.23 -0.66 0.63 0.45 -1.46 0.00 0.00 175.22 174.41 3a4k s SER 187 N 2.54 7.07 0.00 6.13 0.15 -1.26 -1.62 113.70 126.71 3a4k s SER 187 Ca 0.10 1.27 0.26 0.00 0.70 0.00 0.00 55.95 58.28 3a4k s SER 187 Cb -0.15 -2.39 0.67 0.00 -1.71 0.00 0.00 66.02 62.44 3a4k s SER 187 CO -0.15 0.14 1.52 0.49 1.20 0.00 0.00 173.24 176.43 3a4k n PHE 188 N 2.42 0.00 -0.31 3.44 3.01 -1.26 -4.68 117.46 120.08 3a4k n PHE 188 Ca -0.07 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.56 3a4k n PHE 188 Cb 0.51 -0.21 0.36 0.00 -0.01 0.00 0.00 39.48 40.12 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 0.47 0.24 0.00 -1.08 4.81 -2.02 0.16 114.58 117.17 3a4k h GLU 189 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3a4k h GLU 189 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3a4k h GLU 189 CO 0.00 0.16 0.00 1.04 -0.73 0.00 0.00 179.01 179.48 3a4k n GLN 190 N -5.17 0.21 0.17 1.92 1.13 -1.26 -2.36 117.38 112.03 3a4k n GLN 190 Ca 0.25 0.34 -0.14 0.00 -1.94 0.00 0.00 57.00 55.51 3a4k n GLN 190 Cb 0.79 -1.84 -0.08 0.00 0.11 0.00 0.00 30.24 29.23 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 -0.37 -2.01 1.08 5.85 -1.02 -2.21 115.31 116.62 3a4k h LEU 191 Ca 0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3a4k h LEU 191 Cb 0.50 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3a4k h LEU 191 CO 0.00 -0.05 -0.05 -0.50 -0.34 0.00 0.00 178.44 177.50 3a4k h TRP 192 N -0.72 0.00 -0.32 1.25 -0.00 -1.54 -2.06 115.95 112.56 3a4k h TRP 192 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 3a4k h TRP 192 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.65 3a4k h TRP 192 CO 0.01 0.05 0.00 -1.71 -0.00 0.00 0.00 178.44 176.80 3a4k n ASN 193 N -4.26 2.10 -0.20 -3.49 5.15 -0.99 -4.42 115.26 109.14 3a4k n ASN 193 Ca -0.03 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.07 3a4k n ASN 193 Cb 0.14 -0.21 0.08 0.00 -0.53 0.00 0.00 39.78 39.26 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 2.51 -0.15 -0.81 1.20 3.57 -0.71 -2.51 116.94 120.04 3a4k h PHE 194 Ca 0.00 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3a4k h PHE 194 Cb 0.56 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3a4k h PHE 194 CO 0.21 -0.21 0.43 -1.35 -2.23 0.00 0.00 178.31 175.16 3a4k h PRO 195 N 0.07 1.15 -0.37 6.41 0.11 -1.85 0.23 132.00 137.75 3a4k h PRO 195 Ca 0.31 -0.15 0.07 0.00 0.11 0.00 0.00 66.00 66.34 3a4k h PRO 195 Cb 0.50 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.33 3a4k h PRO 195 CO -0.57 0.86 -0.00 -0.22 -0.21 0.00 0.00 178.00 177.86 3a4k h LYS 196 N 1.14 0.10 -0.58 1.05 1.63 -1.73 0.56 116.57 118.73 3a4k h LYS 196 Ca 0.28 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3a4k h LYS 196 Cb 0.06 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3a4k h LYS 196 CO -0.04 0.06 0.38 0.87 -3.45 0.00 0.00 179.45 177.27 3a4k h LYS 197 N 0.10 0.77 -0.33 1.90 1.79 -0.99 -2.89 116.57 116.93 3a4k h LYS 197 Ca 0.18 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 3a4k h LYS 197 Cb 0.25 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 3a4k h LYS 197 CO -0.30 0.52 -0.16 0.37 -1.08 0.00 0.00 179.45 178.80 3a4k h GLN 198 N 0.79 0.58 -0.14 3.15 5.75 -0.22 -3.12 115.11 121.89 3a4k h GLN 198 Ca 0.21 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3a4k h GLN 198 Cb -0.08 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 3a4k h GLN 198 CO -0.04 0.72 0.10 0.66 -2.65 0.00 0.00 178.83 177.61 3a4k h SER 199 N 0.53 0.15 1.02 -0.69 4.64 -0.67 -1.66 113.55 116.87 3a4k h SER 199 Ca 0.09 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3a4k h SER 199 Cb 0.57 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3a4k h SER 199 CO 0.04 0.11 -0.03 0.11 -0.87 0.00 0.00 176.83 176.19 3a4k h LYS 200 N 0.18 0.00 -0.40 4.77 1.79 -1.56 -1.92 116.57 119.43 3a4k h LYS 200 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3a4k h LYS 200 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3a4k h LYS 200 CO -0.01 0.03 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 3a4k n LYS 201 N -3.14 2.44 -4.86 3.15 5.02 -0.66 -4.97 118.16 115.14 3a4k n LYS 201 Ca 0.01 -2.14 -0.33 0.00 -2.02 0.00 0.00 58.31 53.83 3a4k n LYS 201 Cb 0.33 -1.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 3a4k n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3a4k s THR 202 N -1.11 2.94 0.51 -0.18 2.01 -0.72 -5.11 115.64 113.98 3a4k s THR 202 Ca 0.32 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 3a4k s THR 202 Cb 0.18 -2.20 -0.08 0.00 0.01 0.00 0.00 72.50 70.41 3a4k s THR 202 CO 0.24 0.55 0.99 -0.94 -0.69 0.00 0.00 174.62 174.76 3a4k s SER 203 N 0.05 6.58 0.28 3.53 1.04 -1.26 -4.93 113.70 118.99 3a4k s SER 203 Ca -0.06 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 3a4k s SER 203 Cb -0.15 -2.51 0.63 0.00 0.10 0.00 0.00 66.02 64.09 3a4k s SER 203 CO 0.05 -0.62 1.64 0.58 0.98 0.00 0.00 173.24 175.87 3a4k h VAL 204 N 0.96 0.30 -0.21 5.02 2.07 -1.99 -1.66 116.25 120.73 3a4k h VAL 204 Ca -0.47 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 3a4k h VAL 204 Cb 1.19 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3a4k h VAL 204 CO 0.61 0.03 -0.24 -1.28 0.02 0.00 0.00 177.57 176.71 3a4k h SER 205 N 0.16 0.38 0.05 0.57 0.87 -2.05 -2.80 113.55 110.73 3a4k h SER 205 Ca 0.51 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3a4k h SER 205 Cb 1.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3a4k h SER 205 CO -0.68 0.63 -0.13 0.47 -0.53 0.00 0.00 176.83 176.59 3a4k n ASP 206 N -4.14 1.69 -0.02 6.23 8.00 -0.70 -4.63 116.55 122.99 3a4k n ASP 206 Ca -0.01 -1.42 0.22 0.00 0.71 0.00 0.00 54.79 54.29 3a4k n ASP 206 Cb 0.38 0.09 0.71 0.00 -0.02 0.00 0.00 41.12 42.29 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 4.17 2.51 -0.02 2.24 0.00 -1.09 -1.16 119.26 125.91 3a4k h ALA 207 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a4k h ALA 207 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3a4k h ALA 207 CO 0.00 -0.73 0.00 0.39 0.00 0.00 0.00 179.25 178.91 3a4k n GLU 208 N -4.26 1.57 -2.31 0.00 1.02 -1.26 -2.60 120.64 112.80 3a4k n GLU 208 Ca 0.11 -0.83 -0.41 0.00 -0.02 0.00 0.00 57.16 56.01 3a4k n GLU 208 Cb 0.67 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.98 7.03 -0.07 1.62 0.01 -0.44 -0.80 114.94 120.31 3a4k s ASN 209 Ca 0.39 2.41 -0.39 0.00 -0.71 0.00 0.00 52.86 54.56 3a4k s ASN 209 Cb 0.21 -2.63 -0.17 0.00 0.41 0.00 0.00 41.25 39.07 3a4k s ASN 209 CO 0.34 -0.36 1.44 -3.20 -1.51 0.00 0.00 177.10 173.80 3a4k n ASN 210 N 1.52 1.62 -1.00 -1.22 2.85 -0.38 -4.86 115.26 113.80 3a4k n ASN 210 Ca 0.01 1.12 0.06 0.00 -0.11 0.00 0.00 54.58 55.66 3a4k n ASN 210 Cb 0.43 -1.12 0.26 0.00 1.24 0.00 0.00 39.78 40.59 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 3.31 1.06 0.11 1.20 1.16 -1.26 -4.81 117.46 118.23 3a4k n PHE 211 Ca 0.22 -0.99 -0.01 0.00 -1.87 0.00 0.00 57.45 54.80 3a4k n PHE 211 Cb 0.14 -0.36 0.26 0.00 -1.61 0.00 0.00 39.48 37.91 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 1.76 0.21 0.04 3.97 2.86 -1.97 0.14 114.93 121.95 3a4k h MET 212 Ca 0.04 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3a4k h MET 212 Cb 1.53 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 3a4k h MET 212 CO 0.28 0.56 -0.10 -0.09 1.06 0.00 0.00 176.91 178.62 3a4k h ARG 213 N 0.18 -0.18 -0.47 1.72 2.43 -1.99 0.15 114.38 116.20 3a4k h ARG 213 Ca 0.02 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3a4k h ARG 213 Cb 0.75 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 3a4k h ARG 213 CO 0.06 -0.12 0.28 -0.44 -1.51 0.00 0.00 179.97 178.24 3a4k h ASP 214 N -0.19 0.46 -0.98 -3.80 3.32 -1.85 -1.77 116.42 111.61 3a4k h ASP 214 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3a4k h ASP 214 Cb 0.22 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 3a4k h ASP 214 CO -0.07 0.32 0.62 0.15 -1.72 0.00 0.00 179.24 178.55 3a4k h PHE 215 N 0.57 1.26 -0.52 4.55 3.57 -0.49 -1.16 116.94 124.72 3a4k h PHE 215 Ca 0.19 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 3a4k h PHE 215 Cb 0.01 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 3a4k h PHE 215 CO -0.07 0.82 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.85 3a4k h ASN 216 N 1.34 0.96 -0.56 0.41 2.35 -0.34 0.10 115.58 119.84 3a4k h ASN 216 Ca 0.36 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3a4k h ASN 216 Cb -0.11 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 37.96 3a4k h ASN 216 CO -0.07 1.07 0.31 0.11 -1.65 0.00 0.00 177.43 177.20 3a4k h LYS 217 N 0.83 0.59 -0.46 0.81 1.57 -1.18 0.10 116.57 118.83 3a4k h LYS 217 Ca 0.14 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3a4k h LYS 217 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3a4k h LYS 217 CO 0.04 0.39 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.27 3a4k h TYR 218 N 0.60 1.01 -0.28 -1.35 3.20 -0.87 -0.32 116.97 118.96 3a4k h TYR 218 Ca 0.24 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3a4k h TYR 218 Cb 0.11 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3a4k h TYR 218 CO -0.08 0.99 0.12 0.35 -1.64 0.00 0.00 178.16 177.89 3a4k h PHE 219 N 0.74 0.43 -0.78 -3.82 3.57 -0.67 -0.24 116.94 116.17 3a4k h PHE 219 Ca 0.12 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3a4k h PHE 219 Cb 0.67 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3a4k h PHE 219 CO 0.05 0.43 0.52 0.52 -2.23 0.00 0.00 178.31 177.59 3a4k h MET 220 N 0.31 1.02 -0.18 1.11 2.86 -0.67 -0.92 114.93 118.46 3a4k h MET 220 Ca 0.09 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 3a4k h MET 220 Cb 0.18 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3a4k h MET 220 CO -0.01 0.68 -0.45 0.22 1.06 0.00 0.00 176.91 178.41 3a4k h ASP 221 N 1.05 0.70 -0.15 1.22 3.58 -0.98 0.80 116.42 122.65 3a4k h ASP 221 Ca 0.29 -0.57 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 3a4k h ASP 221 Cb -0.12 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 3a4k h ASP 221 CO -0.06 1.15 0.07 0.25 -2.88 0.00 0.00 179.24 177.76 3a4k h LEU 222 N 0.29 0.21 -1.21 2.28 5.85 -0.97 -3.20 115.31 118.55 3a4k h LEU 222 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3a4k h LEU 222 Cb 1.06 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3a4k h LEU 222 CO 0.10 0.29 -0.02 0.49 -0.34 0.00 0.00 178.44 178.97 3a4k n PHE 223 N -4.89 0.00 -3.51 1.25 3.72 -0.36 -4.96 117.46 108.72 3a4k n PHE 223 Ca -0.05 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.13 3a4k n PHE 223 Cb 0.11 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.46 -2.82 -4.22 -1.08 5.02 0.15 -4.99 118.16 110.68 3a4k n LYS 224 Ca 0.17 0.67 -0.34 0.00 -2.02 0.00 0.00 58.31 56.79 3a4k n LYS 224 Cb 0.42 -5.11 -0.14 0.00 -0.02 0.00 0.00 35.03 30.18 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 -3.48 3.06 0.65 -0.18 1.01 -0.45 -5.05 121.20 116.76 3a4k s ILE 225 Ca 0.33 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 3a4k s ILE 225 Cb -0.08 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 3a4k s ILE 225 CO 0.80 0.48 1.02 1.51 0.00 0.00 0.00 174.94 178.74 3a4k s ASP 226 N 1.07 5.70 0.44 3.58 -4.77 -1.26 -4.60 116.67 116.83 3a4k s ASP 226 Ca 0.00 1.09 0.11 0.00 -3.30 0.00 0.00 52.55 50.46 3a4k s ASP 226 Cb -0.15 -2.02 0.97 0.00 -1.09 0.00 0.00 42.92 40.64 3a4k s ASP 226 CO -0.02 -1.13 2.03 0.50 0.70 0.00 0.00 175.17 177.26 3a4k h LYS 227 N -0.42 0.23 -0.40 2.11 3.64 -1.99 -1.81 116.57 117.92 3a4k h LYS 227 Ca -0.45 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.79 3a4k h LYS 227 Cb 1.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3a4k h LYS 227 CO 0.63 0.24 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.43 3a4k h ASP 228 N 0.23 0.85 0.30 4.20 3.32 -1.98 0.23 116.42 123.56 3a4k h ASP 228 Ca 0.06 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3a4k h ASP 228 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3a4k h ASP 228 CO 0.00 1.06 -0.14 0.74 -1.72 0.00 0.00 179.24 179.18 3a4k h THR 229 N 0.64 0.73 -0.46 0.35 2.02 -1.73 -1.22 112.91 113.24 3a4k h THR 229 Ca 0.09 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 67.01 3a4k h THR 229 Cb 0.73 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 3a4k h THR 229 CO 0.06 0.07 0.18 0.25 0.37 0.00 0.00 175.52 176.44 3a4k h LEU 230 N -0.57 0.21 -0.47 2.58 5.85 -1.40 0.83 115.31 122.33 3a4k h LEU 230 Ca -0.04 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3a4k h LEU 230 Cb 0.42 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3a4k h LEU 230 CO 0.07 0.15 0.23 -1.13 -0.34 0.00 0.00 178.44 177.42 3a4k h ASN 231 N 0.36 0.34 -0.59 1.25 -0.73 -0.91 -0.51 115.58 114.79 3a4k h ASN 231 Ca 0.22 0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.32 3a4k h ASN 231 Cb 0.20 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 3a4k h ASN 231 CO -0.21 0.24 0.01 -0.61 -0.37 0.00 0.00 177.43 176.49 3a4k h GLN 232 N 0.46 1.04 -0.49 6.67 4.15 -0.49 -1.71 115.11 124.74 3a4k h GLN 232 Ca 0.21 -0.33 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 3a4k h GLN 232 Cb 0.12 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3a4k h GLN 232 CO -0.15 1.02 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.48 3a4k h LEU 233 N 0.93 1.03 -0.65 -2.39 3.38 -0.50 -1.73 115.31 115.39 3a4k h LEU 233 Ca 0.17 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3a4k h LEU 233 Cb 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3a4k h LEU 233 CO 0.03 1.20 -0.22 -0.07 0.09 0.00 0.00 178.44 179.46 3a4k h LEU 234 N 0.87 0.83 -0.46 1.67 3.38 -1.02 -2.00 115.31 118.58 3a4k h LEU 234 Ca 0.11 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3a4k h LEU 234 Cb 0.80 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3a4k h LEU 234 CO 0.07 1.02 0.26 -0.61 0.09 0.00 0.00 178.44 179.27 3a4k h GLN 235 N 0.71 0.50 -0.66 1.13 5.75 -1.10 -0.83 115.11 120.60 3a4k h GLN 235 Ca 0.10 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3a4k h GLN 235 Cb 0.75 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 3a4k h GLN 235 CO 0.06 0.33 0.43 0.87 -2.65 0.00 0.00 178.83 177.87 3a4k h LYS 236 N 0.51 0.87 0.04 1.69 1.57 -1.08 -0.76 116.57 119.41 3a4k h LYS 236 Ca 0.19 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3a4k h LYS 236 Cb 0.05 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3a4k h LYS 236 CO -0.11 0.58 -0.02 0.93 -0.57 0.00 0.00 179.45 180.27 3a4k h GLU 237 N 0.90 -0.05 -0.58 3.15 4.39 -0.80 0.56 114.58 122.15 3a4k h GLU 237 Ca 0.24 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.05 3a4k h GLU 237 Cb -0.09 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.49 3a4k h GLU 237 CO -0.05 0.03 0.14 0.82 -1.16 0.00 0.00 179.01 178.79 3a4k h ILE 238 N -0.11 0.67 -0.49 3.13 2.04 -0.66 -0.64 117.51 121.46 3a4k h ILE 238 Ca -0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3a4k h ILE 238 Cb 0.10 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3a4k h ILE 238 CO 0.01 0.05 0.31 0.78 0.00 0.00 0.00 178.15 179.30 3a4k h ASN 239 N 0.27 0.52 -0.46 1.72 -0.26 -0.92 0.99 115.58 117.44 3a4k h ASN 239 Ca 0.30 -0.01 0.05 0.00 -0.56 0.00 0.00 56.30 56.09 3a4k h ASN 239 Cb 0.43 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.53 3a4k h ASN 239 CO -0.38 0.37 0.19 -0.26 -1.06 0.00 0.00 177.43 176.30 3a4k h PHE 240 N 0.62 0.34 -0.31 1.19 0.04 -0.37 -0.90 116.94 117.55 3a4k h PHE 240 Ca 0.19 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 3a4k h PHE 240 Cb -0.04 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3a4k h PHE 240 CO -0.05 0.14 0.19 0.82 -0.60 0.00 0.00 178.31 178.81 3a4k h ILE 241 N 0.38 1.11 -0.48 -0.55 2.04 -0.75 -1.63 117.51 117.63 3a4k h ILE 241 Ca 0.21 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3a4k h ILE 241 Cb 0.18 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3a4k h ILE 241 CO -0.19 0.10 -0.02 -0.08 0.00 0.00 0.00 178.15 177.96 3a4k h GLU 242 N 0.40 0.81 -0.30 2.37 4.81 -0.67 -0.36 114.58 121.65 3a4k h GLU 242 Ca 0.11 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3a4k h GLU 242 Cb 0.01 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3a4k h GLU 242 CO -0.02 0.82 0.01 0.93 -0.73 0.00 0.00 179.01 180.02 3a4k h GLU 243 N 0.75 0.10 -0.72 1.92 5.08 -0.99 -2.68 114.58 118.04 3a4k h GLU 243 Ca 0.14 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3a4k h GLU 243 Cb 0.48 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3a4k h GLU 243 CO 0.02 0.07 0.47 -0.09 -1.00 0.00 0.00 179.01 178.48 3a4k h ARG 244 N 0.10 0.90 0.00 2.33 9.65 -0.67 -2.56 114.38 124.14 3a4k h ARG 244 Ca 0.14 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 3a4k h ARG 244 Cb 0.18 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3a4k h ARG 244 CO -0.23 0.60 -0.12 0.66 2.80 0.00 0.00 179.97 183.68 3a4k h SER 245 N 0.93 0.00 0.07 -3.80 4.64 -0.73 -2.14 113.55 112.52 3a4k h SER 245 Ca 0.27 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3a4k h SER 245 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3a4k h SER 245 CO -0.07 0.12 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.83 3a4k h LEU 246 N 0.00 -0.30 -0.34 5.97 3.38 -1.41 -1.12 115.31 121.49 3a4k h LEU 246 Ca -0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3a4k h LEU 246 Cb 0.22 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3a4k h LEU 246 CO 0.02 -0.17 0.17 0.40 0.09 0.00 0.00 178.44 178.95 3a4k h ILE 247 N -0.22 0.99 -0.55 1.22 2.04 -1.50 -0.34 117.51 119.14 3a4k h ILE 247 Ca 0.02 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3a4k h ILE 247 Cb 0.24 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3a4k h ILE 247 CO -0.06 0.07 0.13 -0.33 0.00 0.00 0.00 178.15 177.95 3a4k h GLU 248 N 0.36 0.89 -0.14 2.37 4.39 -1.31 -0.24 114.58 120.89 3a4k h GLU 248 Ca 0.14 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3a4k h GLU 248 Cb 0.05 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3a4k h GLU 248 CO -0.09 0.84 -0.15 0.87 -1.16 0.00 0.00 179.01 179.32 3a4k h LYS 249 N 0.79 0.34 -1.00 2.33 1.57 -1.18 -2.92 116.57 116.50 3a4k h LYS 249 Ca 0.17 -0.19 0.33 0.00 -1.87 0.00 0.00 60.65 59.10 3a4k h LYS 249 Cb 0.36 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.52 3a4k h LYS 249 CO 0.00 0.74 0.57 1.49 -0.57 0.00 0.00 179.45 181.69 3a4k h GLU 250 N -0.04 0.29 -0.39 3.15 4.57 -0.82 -0.90 114.58 120.44 3a4k h GLU 250 Ca 0.02 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3a4k h GLU 250 Cb 0.69 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 3a4k h GLU 250 CO 0.04 0.19 0.13 -0.92 -1.18 0.00 0.00 179.01 177.27 3a4k h TYR 251 N 0.30 0.23 -0.13 0.92 3.20 -0.84 -1.98 116.97 118.67 3a4k h TYR 251 Ca 0.74 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.51 3a4k h TYR 251 Cb 1.72 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.93 3a4k h TYR 251 CO -0.01 0.09 -0.44 -1.49 -1.64 0.00 0.00 178.16 174.67 3a4k h TRP 252 N 0.29 0.38 0.10 -3.82 -0.00 -1.21 -2.80 115.95 108.88 3a4k h TRP 252 Ca 0.18 -0.11 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 3a4k h TRP 252 Cb 0.17 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.23 3a4k h TRP 252 CO -0.15 0.71 -0.30 0.87 -0.00 0.00 0.00 178.44 179.57 3a4k h LYS 253 N 0.26 -0.43 -1.16 0.49 6.56 -1.06 -0.84 116.57 120.39 3a4k h LYS 253 Ca 0.02 0.03 0.33 0.00 -1.06 0.00 0.00 60.65 59.97 3a4k h LYS 253 Cb 0.88 0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 32.57 3a4k h LYS 253 CO 0.07 -0.29 0.80 0.87 -2.06 0.00 0.00 179.45 178.85 3a4k h LYS 254 N -0.44 0.14 0.10 3.15 1.57 -1.32 -2.16 116.57 117.60 3a4k h LYS 254 Ca -0.01 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 3a4k h LYS 254 Cb 0.44 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3a4k h LYS 254 CO -0.15 0.09 -1.62 0.37 -0.57 0.00 0.00 179.45 177.57 3a4k h GLN 255 N 0.14 0.20 -0.89 3.15 5.75 -1.25 -1.86 115.11 120.36 3a4k h GLN 255 Ca 0.60 -0.35 0.09 0.00 -0.15 0.00 0.00 58.65 58.85 3a4k h GLN 255 Cb 2.06 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 30.68 3a4k h GLN 255 CO -0.14 1.02 0.58 0.82 -2.65 0.00 0.00 178.83 178.46 3a4k h ILE 256 N 0.06 0.98 0.00 2.39 2.04 -0.48 -1.91 117.51 120.58 3a4k h ILE 256 Ca -0.27 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 3a4k h ILE 256 Cb 2.01 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3a4k h ILE 256 CO 0.13 0.16 -1.00 0.78 0.00 0.00 0.00 178.15 178.23 3a4k h ASN 257 N 0.90 0.00 -0.12 1.72 2.35 -1.47 -1.91 115.58 117.05 3a4k h ASN 257 Ca 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 3a4k h ASN 257 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3a4k h ASN 257 CO -0.17 0.73 0.05 0.40 -1.65 0.00 0.00 177.43 176.78 3a4k h ILE 258 N 0.00 1.14 -0.87 2.81 2.04 -1.18 -2.90 117.51 118.55 3a4k h ILE 258 Ca -0.08 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3a4k h ILE 258 Cb 1.62 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 3a4k h ILE 258 CO 0.08 0.12 0.57 0.40 0.00 0.00 0.00 178.15 179.33 3a4k h ILE 259 N 0.04 1.19 0.00 -0.67 2.04 -1.38 -2.85 117.51 115.89 3a4k h ILE 259 Ca 0.04 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3a4k h ILE 259 Cb 0.15 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3a4k h ILE 259 CO -0.00 0.21 -0.07 0.11 0.00 0.00 0.00 178.15 178.40 3a4k h LYS 260 N 1.15 0.00 -1.75 2.37 1.57 -1.26 -1.37 116.57 117.27 3a4k h LYS 260 Ca 0.33 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.39 3a4k h LYS 260 Cb -0.08 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 31.92 3a4k h LYS 260 CO -0.09 0.07 0.69 0.27 -0.57 0.00 0.00 179.45 179.83 3a4k n ASN 261 N -4.25 7.03 -4.84 0.86 6.94 -1.08 -4.99 115.26 114.93 3a4k n ASN 261 Ca -0.03 -3.81 -0.36 0.00 -0.02 0.00 0.00 54.58 50.37 3a4k n ASN 261 Cb 0.15 -0.94 -0.06 0.00 -2.36 0.00 0.00 39.78 36.58 3a4k n ASN 261 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3a4k s PHE 262 N -3.94 3.63 0.65 -2.53 2.99 -0.52 -5.03 117.98 113.23 3a4k s PHE 262 Ca 0.53 1.14 -0.13 0.00 0.00 0.00 0.00 56.93 58.47 3a4k s PHE 262 Cb 0.44 -2.43 -0.01 0.00 0.00 0.00 0.00 43.02 41.03 3a4k s PHE 262 CO -0.31 0.42 1.06 -0.08 -0.00 0.00 0.00 175.22 176.31 3a4k s THR 263 N -1.45 3.82 0.19 0.64 -1.32 -1.26 -4.88 115.64 111.37 3a4k s THR 263 Ca 0.38 0.73 -0.22 0.00 -1.21 0.00 0.00 61.69 61.37 3a4k s THR 263 Cb -0.16 -3.33 0.11 0.00 -1.51 0.00 0.00 72.50 67.62 3a4k s THR 263 CO 0.19 -0.64 1.57 0.03 -2.21 0.00 0.00 174.62 173.56 3a4k h ARG 264 N -0.18 -0.13 -0.91 7.08 3.08 -1.99 -0.49 114.38 120.85 3a4k h ARG 264 Ca -0.45 0.01 0.15 0.00 0.07 0.00 0.00 59.98 59.76 3a4k h ARG 264 Cb 1.22 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 31.14 3a4k h ARG 264 CO 0.56 -0.08 -0.35 1.49 -1.07 0.00 0.00 179.97 180.52 3a4k h GLU 265 N -0.13 -0.03 -0.28 0.04 4.57 -1.99 -1.14 114.58 115.61 3a4k h GLU 265 Ca 0.24 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.25 3a4k h GLU 265 Cb 0.56 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3a4k h GLU 265 CO -0.79 -0.02 -0.51 0.93 -1.18 0.00 0.00 179.01 177.44 3a4k h GLU 266 N -0.03 0.84 0.11 1.92 5.08 -1.75 -2.72 114.58 118.04 3a4k h GLU 266 Ca 0.35 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3a4k h GLU 266 Cb 0.61 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3a4k h GLU 266 CO -0.93 1.16 -0.05 0.00 -1.00 0.00 0.00 179.01 178.19 3a4k h ALA 267 N 0.67 -0.15 -0.25 3.43 0.00 -0.37 0.39 119.26 122.99 3a4k h ALA 267 Ca 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3a4k h ALA 267 Cb 1.12 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3a4k h ALA 267 CO 0.12 -0.34 -0.14 0.82 0.00 0.00 0.00 179.25 179.70 3a4k h ILE 268 N -0.63 1.22 -0.06 0.00 2.04 -1.38 0.20 117.51 118.91 3a4k h ILE 268 Ca -0.01 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3a4k h ILE 268 Cb 0.50 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3a4k h ILE 268 CO 0.02 0.32 0.01 -0.08 0.00 0.00 0.00 178.15 178.42 3a4k h GLU 269 N 0.39 0.09 0.00 2.37 4.57 -1.49 -0.37 114.58 120.15 3a4k h GLU 269 Ca 0.07 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3a4k h GLU 269 Cb 0.48 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3a4k h GLU 269 CO 0.03 0.33 -0.26 0.00 -1.18 0.00 0.00 179.01 177.93 3a4k h ALA 270 N 0.76 1.07 0.15 2.92 0.00 -0.28 -0.78 119.26 123.10 3a4k h ALA 270 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3a4k h ALA 270 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a4k h ALA 270 CO 0.00 0.32 -0.07 1.25 0.00 0.00 0.00 179.25 180.76 3a4k h LEU 271 N 0.00 -0.17 -1.06 0.00 5.85 -0.62 -1.93 115.31 117.39 3a4k h LEU 271 Ca -0.00 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.00 3a4k h LEU 271 Cb 0.72 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 3a4k h LEU 271 CO 0.03 0.26 0.61 -0.07 -0.34 0.00 0.00 178.44 178.93 3a4k h LEU 272 N -0.96 0.58 -0.71 2.25 3.38 -1.09 0.25 115.31 119.01 3a4k h LEU 272 Ca -0.02 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3a4k h LEU 272 Cb 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3a4k h LEU 272 CO 0.03 0.02 0.18 0.50 0.09 0.00 0.00 178.44 179.26 3a4k h LYS 273 N 0.46 1.13 0.00 1.13 3.64 -1.22 -1.33 116.57 120.39 3a4k h LYS 273 Ca 0.67 -0.27 -0.24 0.00 -1.27 0.00 0.00 60.65 59.54 3a4k h LYS 273 Cb 1.45 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3a4k h LYS 273 CO -0.49 0.99 -1.34 0.22 -2.27 0.00 0.00 179.45 176.56 3a4k h ASP 274 N 1.07 0.00 0.04 4.20 3.58 0.25 -3.21 116.42 122.34 3a4k h ASP 274 Ca 0.22 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.53 3a4k h ASP 274 Cb 0.36 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.43 3a4k h ASP 274 CO 0.00 0.97 -0.57 0.40 -2.88 0.00 0.00 179.24 177.16 3a4k h ILE 275 N 0.00 1.48 -5.78 2.25 1.08 -1.26 -3.49 117.51 111.80 3a4k h ILE 275 Ca -0.15 -2.18 -0.36 0.00 -0.39 0.00 0.00 64.86 61.79 3a4k h ILE 275 Cb 1.87 2.81 0.14 0.00 -3.07 0.00 0.00 36.82 38.56 3a4k h ILE 275 CO 0.10 0.62 -0.78 -3.20 -0.69 0.00 0.00 178.15 174.20 3a4k n ASN 276 N -4.26 -2.00 0.27 1.72 5.15 -0.50 -4.87 115.26 110.77 3a4k n ASN 276 Ca -0.11 -0.67 0.12 0.00 -0.60 0.00 0.00 54.58 53.32 3a4k n ASN 276 Cb 0.67 -4.83 0.77 0.00 -0.53 0.00 0.00 39.78 35.86 3a4k n ASN 276 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 3a4k h MET 277 N -1.92 0.00 -0.00 1.20 2.86 -1.92 -2.04 114.93 113.10 3a4k h MET 277 Ca -0.59 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.79 3a4k h MET 277 Cb 1.35 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.02 3a4k h MET 277 CO 0.52 0.00 -1.02 1.03 1.06 0.00 0.00 176.91 178.50 3a4k h SER 278 N 0.00 0.85 -0.26 1.22 0.87 -1.89 -2.29 113.55 112.04 3a4k h SER 278 Ca 0.01 -0.67 -0.02 0.00 -1.23 0.00 0.00 61.79 59.88 3a4k h SER 278 Cb 0.04 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3a4k h SER 278 CO -0.00 1.48 0.12 -1.28 -0.53 0.00 0.00 176.83 176.62 3a4k h SER 279 N 0.37 0.38 -0.59 6.23 0.87 -1.75 -2.11 113.55 116.95 3a4k h SER 279 Ca -0.12 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 3a4k h SER 279 Cb 1.67 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 3a4k h SER 279 CO 0.20 0.35 0.11 0.11 -0.53 0.00 0.00 176.83 177.07 3a4k h LYS 280 N 0.43 0.97 -0.27 2.24 1.57 -1.11 0.33 116.57 120.73 3a4k h LYS 280 Ca 0.11 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3a4k h LYS 280 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3a4k h LYS 280 CO -0.01 0.91 0.04 0.82 -0.57 0.00 0.00 179.45 180.64 3a4k h ILE 281 N 0.88 1.23 -0.97 1.86 2.04 -1.18 -1.21 117.51 120.16 3a4k h ILE 281 Ca 0.18 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.32 3a4k h ILE 281 Cb 0.40 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3a4k h ILE 281 CO 0.01 0.25 0.63 -0.33 0.00 0.00 0.00 178.15 178.71 3a4k h GLU 282 N 0.27 1.09 -0.42 2.37 5.08 -1.14 -1.34 114.58 120.49 3a4k h GLU 282 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3a4k h GLU 282 Cb 0.34 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3a4k h GLU 282 CO 0.01 0.72 0.27 1.15 -1.00 0.00 0.00 179.01 180.16 3a4k h THR 283 N 1.12 1.10 -0.21 1.13 2.02 -0.61 0.27 112.91 117.73 3a4k h THR 283 Ca 0.42 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.42 3a4k h THR 283 Cb 0.19 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3a4k h THR 283 CO -0.17 0.10 0.13 0.40 0.37 0.00 0.00 175.52 176.36 3a4k h ILE 284 N 0.56 1.04 -0.63 3.11 2.04 -0.82 0.83 117.51 123.64 3a4k h ILE 284 Ca 0.15 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3a4k h ILE 284 Cb -0.06 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3a4k h ILE 284 CO -0.04 0.05 0.22 0.44 0.00 0.00 0.00 178.15 178.83 3a4k h ASP 285 N 0.27 0.89 -0.39 1.72 3.32 -1.09 -0.57 116.42 120.57 3a4k h ASP 285 Ca 0.08 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 3a4k h ASP 285 Cb -0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3a4k h ASP 285 CO -0.03 0.84 -0.16 -1.28 -1.72 0.00 0.00 179.24 176.90 3a4k h SER 286 N 0.89 0.87 0.06 6.45 0.87 -0.77 -0.34 113.55 121.58 3a4k h SER 286 Ca 0.21 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3a4k h SER 286 Cb 0.25 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3a4k h SER 286 CO -0.01 1.02 -0.05 0.15 -0.53 0.00 0.00 176.83 177.42 3a4k h PHE 287 N 0.77 -0.12 -0.74 2.24 3.57 -0.57 -1.20 116.94 120.89 3a4k h PHE 287 Ca 0.12 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3a4k h PHE 287 Cb 0.68 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 3a4k h PHE 287 CO 0.04 -0.07 0.48 0.82 -2.23 0.00 0.00 178.31 177.35 3a4k h ILE 288 N -0.11 1.17 -0.43 1.41 1.08 -0.91 -2.25 117.51 117.47 3a4k h ILE 288 Ca -0.00 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 3a4k h ILE 288 Cb 0.10 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 3a4k h ILE 288 CO -0.00 0.18 0.19 0.50 -0.69 0.00 0.00 178.15 178.32 3a4k h LYS 289 N 0.98 0.63 -0.79 2.37 3.64 -0.94 -2.83 116.57 119.63 3a4k h LYS 289 Ca 0.28 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3a4k h LYS 289 Cb -0.08 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.57 3a4k h LYS 289 CO -0.07 0.56 0.47 0.78 -2.27 0.00 0.00 179.45 178.92 3a4k h GLY 290 N 0.55 1.19 1.75 5.01 0.00 -0.89 -2.58 103.07 108.10 3a4k h GLY 290 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3a4k h GLY 290 CO -0.01 0.20 0.00 0.29 0.00 0.00 0.00 176.54 177.02 3a4k n ILE 291 N -4.70 0.41 0.14 2.60 -5.35 -0.88 -2.11 119.36 109.47 3a4k n ILE 291 Ca 0.11 0.10 0.08 0.00 -0.27 0.00 0.00 62.75 62.78 3a4k n ILE 291 Cb 0.19 -0.74 0.05 0.00 -1.74 0.00 0.00 39.64 37.40 3a4k n ILE 291 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3a4k h LYS 292 N 0.00 0.00 -6.55 6.28 1.79 -1.36 -3.46 116.57 113.27 3a4k h LYS 292 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 3a4k h LYS 292 Cb 0.27 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.98 3a4k h LYS 292 CO 0.00 0.13 0.84 0.45 -1.08 0.00 0.00 179.45 179.79 3a4k n SER 293 N -2.95 3.30 -0.26 0.86 2.88 -0.90 -4.87 113.62 111.69 3a4k n SER 293 Ca 0.00 1.08 0.17 0.00 -1.33 0.00 0.00 58.87 58.79 3a4k n SER 293 Cb 0.62 -1.46 0.46 0.00 -0.75 0.00 0.00 64.21 63.08 3a4k n SER 293 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3a4k h ASN 294 N 6.00 0.50 0.90 -3.46 -0.73 -1.89 -2.13 115.58 114.77 3a4k h ASN 294 Ca -0.45 0.05 0.00 0.00 1.87 0.00 0.00 56.30 57.77 3a4k h ASN 294 Cb 1.24 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.79 3a4k h ASN 294 CO 0.90 0.21 0.00 -0.90 -0.37 0.00 0.00 177.43 177.27 3a4k n ASP 295 N -4.55 0.46 0.00 1.15 5.75 -1.26 -2.65 116.55 115.46 3a4k n ASP 295 Ca 0.19 0.58 0.11 0.00 -0.01 0.00 0.00 54.79 55.66 3a4k n ASP 295 Cb 0.63 -0.69 0.51 0.00 -1.03 0.00 0.00 41.12 40.53 3a4k n ASP 295 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3a4k n ARG 296 N -1.98 0.16 0.14 0.11 5.12 -0.80 -2.41 116.66 117.00 3a4k n ARG 296 Ca 0.04 0.10 0.12 0.00 -1.93 0.00 0.00 57.85 56.19 3a4k n ARG 296 Cb 0.28 -1.50 0.24 0.00 -1.16 0.00 0.00 32.46 30.32 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 -1.48 0.55 3.38 -1.69 -3.48 115.31 112.59 3a4k h LEU 297 Ca 0.00 -0.04 -0.44 0.00 0.09 0.00 0.00 57.88 57.49 3a4k h LEU 297 Cb 0.28 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.06 3a4k h LEU 297 CO 0.00 0.02 -0.80 -1.22 0.09 0.00 0.00 178.44 176.53 3a4k n TYR 298 N -2.57 -2.07 0.35 1.13 4.02 -1.01 -5.21 117.16 111.80 3a4k n TYR 298 Ca 0.04 0.87 0.04 0.00 -0.01 0.00 0.00 57.90 58.84 3a4k n TYR 298 Cb 0.48 -4.27 0.04 0.00 -0.02 0.00 0.00 39.34 35.56 3a4k n TYR 298 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13