#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4p s TYR 2 N 0.00 3.45 0.80 1.12 1.51 -1.26 -5.06 117.35 117.90 1v4p s TYR 2 Ca 0.00 0.76 -0.13 0.00 -1.01 0.00 0.00 57.07 56.69 1v4p s TYR 2 Cb 0.00 -2.18 0.08 0.00 -0.11 0.00 0.00 41.96 39.75 1v4p s TYR 2 CO 0.00 0.25 1.17 -1.54 -1.11 0.00 0.00 175.55 174.32 1v4p s SER 3 N -2.67 3.78 0.30 2.29 1.04 -1.26 -4.82 113.70 112.36 1v4p s SER 3 Ca 0.45 2.24 -0.01 0.00 0.48 0.00 0.00 55.95 59.11 1v4p s SER 3 Cb -0.11 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.89 1v4p s SER 3 CO 0.25 -2.54 1.93 -0.29 0.98 0.00 0.00 173.24 173.57 1v4p h ILE 4 N -0.94 1.21 -0.35 -1.02 6.09 -1.97 -1.97 117.51 118.55 1v4p h ILE 4 Ca -0.46 -0.50 -0.10 0.00 -1.37 0.00 0.00 64.86 62.43 1v4p h ILE 4 Cb 1.28 0.23 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 1v4p h ILE 4 CO 0.47 0.23 -0.20 -0.33 -3.07 0.00 0.00 178.15 175.25 1v4p h GLU 5 N 0.99 0.67 -0.41 2.19 5.08 -1.91 0.14 114.58 121.34 1v4p h GLU 5 Ca 0.25 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1v4p h GLU 5 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1v4p h GLU 5 CO -0.04 0.82 -0.19 0.28 -1.00 0.00 0.00 179.01 178.88 1v4p h VAL 6 N 0.60 1.27 -0.34 3.13 2.07 -1.79 0.45 116.25 121.63 1v4p h VAL 6 Ca 0.09 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1v4p h VAL 6 Cb 0.67 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1v4p h VAL 6 CO 0.05 0.43 -0.06 0.03 0.02 0.00 0.00 177.57 178.04 1v4p h ARG 7 N 0.69 0.65 -0.55 1.57 3.08 -0.96 -0.90 114.38 117.96 1v4p h ARG 7 Ca 0.10 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1v4p h ARG 7 Cb 0.69 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1v4p h ARG 7 CO 0.05 0.80 0.17 1.15 -1.07 0.00 0.00 179.97 181.08 1v4p h THR 8 N 0.44 1.24 -0.66 2.04 2.02 -0.50 0.03 112.91 117.51 1v4p h THR 8 Ca 0.09 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1v4p h THR 8 Cb 0.55 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1v4p h THR 8 CO 0.03 0.30 0.20 -0.74 0.37 0.00 0.00 175.52 175.68 1v4p h HIS 9 N 0.76 1.06 -0.65 3.16 -0.00 -0.85 -2.03 115.15 116.60 1v4p h HIS 9 Ca 0.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1v4p h HIS 9 Cb 0.28 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 1v4p h HIS 9 CO 0.02 0.86 0.37 0.77 -0.00 0.00 0.00 177.93 179.96 1v4p h SER 10 N 0.96 0.79 0.17 3.26 0.02 -0.72 -1.15 113.55 116.87 1v4p h SER 10 Ca 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1v4p h SER 10 Cb 0.31 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1v4p h SER 10 CO -0.01 0.63 -0.07 0.00 -1.14 0.00 0.00 176.83 176.24 1v4p h ALA 11 N 1.51 1.45 -0.79 3.77 0.00 -0.28 -2.19 119.26 122.74 1v4p h ALA 11 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1v4p h ALA 11 Cb -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1v4p h ALA 11 CO -0.04 0.08 0.49 -0.07 0.00 0.00 0.00 179.25 179.71 1v4p h LEU 12 N 0.00 0.79 -0.75 0.00 3.38 -0.85 0.26 115.31 118.14 1v4p h LEU 12 Ca -0.00 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1v4p h LEU 12 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1v4p h LEU 12 CO 0.01 0.53 -0.23 0.45 0.09 0.00 0.00 178.44 179.29 1v4p h HIS 13 N 0.94 0.78 -0.21 1.13 3.86 -1.49 -0.37 115.15 119.79 1v4p h HIS 13 Ca 0.33 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1v4p h HIS 13 Cb 0.07 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1v4p h HIS 13 CO -0.04 0.86 -0.17 0.28 0.86 0.00 0.00 177.93 179.72 1v4p h VAL 14 N 0.60 1.32 -0.61 2.45 2.07 -1.30 -2.36 116.25 118.43 1v4p h VAL 14 Ca 0.08 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1v4p h VAL 14 Cb 0.72 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1v4p h VAL 14 CO 0.06 0.40 0.19 0.58 0.02 0.00 0.00 177.57 178.81 1v4p h VAL 15 N 0.16 1.24 -0.48 2.57 2.07 -0.40 -2.00 116.25 119.42 1v4p h VAL 15 Ca 0.04 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1v4p h VAL 15 Cb 0.71 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1v4p h VAL 15 CO 0.04 0.32 0.29 0.50 0.02 0.00 0.00 177.57 178.75 1v4p h LYS 16 N 0.87 0.58 -0.98 1.57 1.63 -1.05 -0.05 116.57 119.13 1v4p h LYS 16 Ca 0.20 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1v4p h LYS 16 Cb 0.29 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 1v4p h LYS 16 CO -0.01 0.38 0.64 0.78 -3.45 0.00 0.00 179.45 177.80 1v4p h GLY 17 N 0.59 1.41 1.20 5.01 0.00 -1.16 -1.82 103.07 108.31 1v4p h GLY 17 Ca 0.19 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1v4p h GLY 17 CO -0.07 0.45 -0.04 0.00 0.00 0.00 0.00 176.54 176.88 1v4p h ALA 18 N 1.38 0.91 -0.69 3.60 0.00 -0.72 -1.64 119.26 122.10 1v4p h ALA 18 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1v4p h ALA 18 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1v4p h ALA 18 CO -0.11 0.64 0.45 0.28 0.00 0.00 0.00 179.25 180.52 1v4p h VAL 19 N 0.87 1.18 -0.24 0.00 2.07 -0.29 -1.35 116.25 118.50 1v4p h VAL 19 Ca 0.15 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 1v4p h VAL 19 Cb 0.56 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1v4p h VAL 19 CO 0.03 0.18 -0.45 0.58 0.02 0.00 0.00 177.57 177.94 1v4p h VAL 20 N 0.94 1.30 -0.50 2.57 2.07 -1.15 0.20 116.25 121.70 1v4p h VAL 20 Ca 0.25 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1v4p h VAL 20 Cb -0.09 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1v4p h VAL 20 CO -0.05 0.52 0.24 0.11 0.02 0.00 0.00 177.57 178.41 1v4p h LYS 21 N 0.49 0.71 0.09 1.57 1.79 -0.87 0.16 116.57 120.50 1v4p h LYS 21 Ca 0.03 -0.10 -0.15 0.00 -2.18 0.00 0.00 60.65 58.26 1v4p h LYS 21 Cb 0.97 -0.13 0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1v4p h LYS 21 CO 0.09 0.59 -0.63 0.28 -1.08 0.00 0.00 179.45 178.70 1v4p h VAL 22 N 0.66 1.54 0.00 0.50 2.07 -1.15 -3.38 116.25 116.49 1v4p h VAL 22 Ca 0.17 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1v4p h VAL 22 Cb 0.11 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1v4p h VAL 22 CO -0.02 0.67 -1.00 0.18 0.02 0.00 0.00 177.57 177.42 1v4p n LEU 23 N -4.23 0.63 0.00 2.57 4.77 0.71 -5.09 117.00 116.36 1v4p n LEU 23 Ca -0.12 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1v4p n LEU 23 Cb 0.73 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1v4p n LEU 23 CO 0.46 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1v4p n GLY 24 N 1.33 -3.03 0.27 -0.72 0.00 0.56 -4.42 105.19 99.18 1v4p n GLY 24 Ca 0.02 -1.81 0.18 0.00 0.00 0.00 0.00 46.02 44.41 1v4p n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1v4p h SER 25 N 0.00 0.00 0.46 1.61 4.64 -1.95 -2.06 113.55 116.25 1v4p h SER 25 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v4p h SER 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1v4p h SER 25 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 1v4p h GLU 26 N 0.00 0.00 -0.17 4.77 5.08 -1.95 -2.35 114.58 119.96 1v4p h GLU 26 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1v4p h GLU 26 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1v4p h GLU 26 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1v4p n ALA 27 N -1.92 2.74 0.37 3.43 0.00 -0.77 -4.50 120.51 119.86 1v4p n ALA 27 Ca -0.00 -2.40 0.14 0.00 0.00 0.00 0.00 53.44 51.18 1v4p n ALA 27 Cb 0.16 -0.60 0.50 0.00 0.00 0.00 0.00 19.45 19.52 1v4p n ALA 27 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1v4p h LYS 28 N 1.20 0.00 -5.29 0.00 2.10 -1.54 -3.44 116.57 109.60 1v4p h LYS 28 Ca 0.00 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 1v4p h LYS 28 Cb 1.29 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.47 1v4p h LYS 28 CO 0.15 0.00 -0.01 -1.58 -2.00 0.00 0.00 179.45 176.01 1v4p s TRP 29 N -3.40 3.17 0.06 0.07 0.52 -1.26 -5.03 118.94 113.07 1v4p s TRP 29 Ca 0.04 0.21 -0.29 0.00 0.02 0.00 0.00 56.10 56.08 1v4p s TRP 29 Cb 0.09 -2.98 -0.05 0.00 -1.15 0.00 0.00 33.47 29.39 1v4p s TRP 29 CO 0.52 -0.56 0.94 0.99 0.02 0.00 0.00 176.95 178.85 1v4p s THR 30 N 2.47 4.68 -0.22 2.01 2.01 -1.26 -0.82 115.64 124.50 1v4p s THR 30 Ca 0.20 2.00 -0.19 0.00 0.31 0.00 0.00 61.69 64.01 1v4p s THR 30 Cb -0.15 -4.29 -0.16 0.00 0.01 0.00 0.00 72.50 67.90 1v4p s THR 30 CO 0.14 0.26 0.04 0.00 -0.69 0.00 0.00 174.62 174.37 1v4p n TYR 31 N 3.24 0.74 -3.65 4.92 9.36 0.12 -0.49 117.16 131.41 1v4p n TYR 31 Ca 0.03 0.32 -0.09 0.00 3.32 0.00 0.00 57.90 61.48 1v4p n TYR 31 Cb 0.50 -1.05 -0.02 0.00 -0.63 0.00 0.00 39.34 38.14 1v4p n TYR 31 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1v4p s SER 32 N -6.96 -0.39 0.05 2.98 1.04 -0.99 -4.54 113.70 104.90 1v4p s SER 32 Ca -0.31 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 1v4p s SER 32 Cb 0.08 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 1v4p s SER 32 CO 0.55 -1.11 0.07 0.42 0.98 0.00 0.00 173.24 174.15 1v4p s THR 33 N -3.75 0.16 -0.21 2.02 -4.23 -1.26 -0.83 115.64 107.53 1v4p s THR 33 Ca 0.07 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 59.06 1v4p s THR 33 Cb -0.03 -1.16 0.06 0.00 1.34 0.00 0.00 72.50 72.70 1v4p s THR 33 CO -0.03 -0.73 0.56 -0.47 -0.54 0.00 0.00 174.62 173.41 1v4p s TYR 34 N -3.25 -0.63 0.00 3.99 5.04 -0.55 -4.99 117.35 116.96 1v4p s TYR 34 Ca 0.01 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.17 1v4p s TYR 34 Cb 0.03 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 1v4p s TYR 34 CO -0.08 -0.30 -0.04 0.08 -1.34 0.00 0.00 175.55 173.87 1v4p s VAL 35 N 0.36 0.32 -0.24 3.14 1.01 -1.26 -0.40 120.40 123.32 1v4p s VAL 35 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1v4p s VAL 35 Cb -0.04 -0.31 0.13 0.00 0.00 0.00 0.00 36.38 36.16 1v4p s VAL 35 CO -0.00 -0.01 0.46 -0.75 0.00 0.00 0.00 175.10 174.80 1v4p s LYS 36 N -0.36 0.40 7.25 2.72 2.47 -0.50 -5.03 119.74 126.70 1v4p s LYS 36 Ca -0.01 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.31 1v4p s LYS 36 Cb -0.03 0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 1v4p s LYS 36 CO -0.00 -0.44 0.00 0.41 0.16 0.00 0.00 175.35 175.48 1v4p n GLY 37 N 5.40 2.71 1.43 5.54 0.00 -1.26 -1.94 105.19 117.07 1v4p n GLY 37 Ca -0.06 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1v4p n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1v4p n ASN 38 N 5.08 4.23 -4.30 1.61 6.94 -1.26 -3.89 115.26 123.67 1v4p n ASN 38 Ca 0.00 -2.47 -0.32 0.00 -0.02 0.00 0.00 54.58 51.78 1v4p n ASN 38 Cb 0.00 -0.56 -0.16 0.00 -2.36 0.00 0.00 39.78 36.70 1v4p n ASN 38 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1v4p s LYS 39 N -1.96 2.59 0.14 -3.83 1.02 -0.82 -0.88 119.74 116.00 1v4p s LYS 39 Ca 0.43 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1v4p s LYS 39 Cb 0.29 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1v4p s LYS 39 CO 0.18 0.40 -0.06 0.20 -0.92 0.00 0.00 175.35 175.16 1v4p s GLY 40 N -0.21 1.01 -0.03 -3.33 0.00 -0.12 -1.41 107.32 103.23 1v4p s GLY 40 Ca -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1v4p s GLY 40 CO 0.03 -1.53 0.00 0.14 0.00 0.00 0.00 173.10 171.74 1v4p s VAL 41 N -3.51 0.18 -0.13 1.40 1.01 0.46 -1.27 120.40 118.54 1v4p s VAL 41 Ca 0.17 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1v4p s VAL 41 Cb 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1v4p s VAL 41 CO -0.00 0.15 -0.20 -0.22 0.00 0.00 0.00 175.10 174.83 1v4p s LEU 42 N 1.09 2.27 -0.15 3.92 2.96 -0.51 -1.48 118.68 126.77 1v4p s LEU 42 Ca -0.09 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1v4p s LEU 42 Cb -0.13 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.08 1v4p s LEU 42 CO -0.02 0.11 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.28 1v4p s ILE 43 N 0.65 2.15 0.25 6.68 1.01 -0.01 -0.36 121.20 131.56 1v4p s ILE 43 Ca -0.10 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 59.70 1v4p s ILE 43 Cb -0.16 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1v4p s ILE 43 CO 0.02 0.54 -0.15 0.68 0.00 0.00 0.00 174.94 176.03 1v4p s VAL 44 N 0.91 2.03 0.03 2.92 -7.23 -0.42 0.13 120.40 118.77 1v4p s VAL 44 Ca -0.04 -2.28 -0.30 0.00 -1.81 0.00 0.00 61.98 57.55 1v4p s VAL 44 Cb -0.15 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1v4p s VAL 44 CO -0.04 -0.47 0.97 -0.75 -0.31 0.00 0.00 175.10 174.49 1v4p s LYS 45 N -3.60 4.60 0.26 4.82 2.20 0.00 -0.30 119.74 127.71 1v4p s LYS 45 Ca 0.26 1.41 -0.19 0.00 -0.36 0.00 0.00 55.97 57.10 1v4p s LYS 45 Cb -0.02 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1v4p s LYS 45 CO 0.11 0.03 0.63 0.12 -0.36 0.00 0.00 175.35 175.89 1v4p s PHE 46 N 0.69 -0.07 -0.02 4.03 5.36 -0.68 -4.30 117.98 122.99 1v4p s PHE 46 Ca 0.50 -0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.16 1v4p s PHE 46 Cb -0.22 0.54 0.05 0.00 -0.34 0.00 0.00 43.02 43.05 1v4p s PHE 46 CO 0.28 -1.13 1.02 -0.40 -1.46 0.00 0.00 175.22 173.53 1v4p n ASP 47 N -0.42 2.02 -3.52 6.13 5.68 -1.26 -3.97 116.55 121.20 1v4p n ASP 47 Ca -0.05 -2.16 -0.11 0.00 -0.50 0.00 0.00 54.79 51.98 1v4p n ASP 47 Cb 0.60 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 1v4p n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v4p s ARG 48 N -1.28 1.33 -0.40 0.11 1.70 -1.26 -5.07 118.95 114.08 1v4p s ARG 48 Ca 0.05 -0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 54.48 1v4p s ARG 48 Cb 0.05 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 35.02 1v4p s ARG 48 CO 0.00 -0.59 1.04 0.21 -1.08 0.00 0.00 175.30 174.89 1v4p s LYS 49 N -3.71 3.84 0.75 3.89 2.20 -1.26 -4.91 119.74 120.53 1v4p s LYS 49 Ca 0.03 0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 56.17 1v4p s LYS 49 Cb -0.02 -3.83 0.03 0.00 -1.51 0.00 0.00 37.83 32.51 1v4p s LYS 49 CO -0.09 -1.10 1.12 -2.30 -0.36 0.00 0.00 175.35 172.62 1v4p n PRO 50 N 7.20 0.49 -2.07 4.03 -0.02 -1.26 -4.99 135.00 138.38 1v4p n PRO 50 Ca 0.10 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.52 1v4p n PRO 50 Cb 0.48 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1v4p n PRO 50 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1v4p s SER 51 N -1.78 5.51 0.46 2.55 1.04 -1.26 -4.88 113.70 115.33 1v4p s SER 51 Ca 0.75 0.99 0.14 0.00 0.48 0.00 0.00 55.95 58.31 1v4p s SER 51 Cb -0.33 -1.86 1.04 0.00 0.10 0.00 0.00 66.02 64.98 1v4p s SER 51 CO 0.49 -1.23 2.03 0.44 0.98 0.00 0.00 173.24 175.94 1v4p h ASP 52 N -0.48 0.05 -0.40 7.02 3.32 -1.99 -1.17 116.42 122.78 1v4p h ASP 52 Ca -0.45 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 1v4p h ASP 52 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1v4p h ASP 52 CO 0.63 0.16 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.20 1v4p h GLU 53 N 0.06 0.72 -0.51 3.56 4.81 -1.99 -0.75 114.58 120.48 1v4p h GLU 53 Ca 0.01 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1v4p h GLU 53 Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1v4p h GLU 53 CO 0.01 0.82 0.04 0.93 -0.73 0.00 0.00 179.01 180.09 1v4p h GLU 54 N 0.54 0.87 -0.62 1.92 5.08 -1.76 -0.88 114.58 119.73 1v4p h GLU 54 Ca 0.11 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1v4p h GLU 54 Cb 0.52 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1v4p h GLU 54 CO 0.03 0.88 0.37 0.82 -1.00 0.00 0.00 179.01 180.11 1v4p h ILE 55 N 0.74 1.18 -0.73 3.13 2.04 -1.11 0.29 117.51 123.05 1v4p h ILE 55 Ca 0.15 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1v4p h ILE 55 Cb 0.47 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1v4p h ILE 55 CO 0.02 0.18 0.29 -0.09 0.00 0.00 0.00 178.15 178.55 1v4p h ARG 56 N 0.84 1.08 -0.45 2.37 2.43 -0.89 -2.38 114.38 117.38 1v4p h ARG 56 Ca 0.22 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 1v4p h ARG 56 Cb -0.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1v4p h ARG 56 CO -0.04 0.88 -0.20 1.49 -1.51 0.00 0.00 179.97 180.59 1v4p h GLU 57 N 1.05 0.89 -0.57 0.20 4.57 -0.45 -0.61 114.58 119.65 1v4p h GLU 57 Ca 0.24 -0.36 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1v4p h GLU 57 Cb 0.21 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1v4p h GLU 57 CO -0.02 1.00 0.38 0.82 -1.18 0.00 0.00 179.01 180.01 1v4p h ILE 58 N 0.77 1.14 -0.50 2.32 2.04 -0.68 0.10 117.51 122.70 1v4p h ILE 58 Ca 0.11 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1v4p h ILE 58 Cb 0.74 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1v4p h ILE 58 CO 0.06 0.14 0.17 -0.08 0.00 0.00 0.00 178.15 178.44 1v4p h GLU 59 N 0.77 0.77 -0.18 2.37 4.81 -1.17 -1.14 114.58 120.81 1v4p h GLU 59 Ca 0.21 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1v4p h GLU 59 Cb -0.09 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1v4p h GLU 59 CO -0.05 0.71 0.09 -0.09 -0.73 0.00 0.00 179.01 178.95 1v4p h ARG 60 N 0.68 0.26 -0.42 1.92 2.43 -0.55 -2.13 114.38 116.58 1v4p h ARG 60 Ca 0.16 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1v4p h ARG 60 Cb 0.26 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1v4p h ARG 60 CO -0.01 0.28 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.58 1v4p h LEU 61 N 0.18 0.71 -0.39 3.80 3.38 -0.73 -0.55 115.31 121.72 1v4p h LEU 61 Ca 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1v4p h LEU 61 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1v4p h LEU 61 CO -0.01 0.83 0.22 0.00 0.09 0.00 0.00 178.44 179.58 1v4p h ALA 62 N 1.24 0.49 0.00 1.53 0.00 -1.06 -0.79 119.26 120.67 1v4p h ALA 62 Ca 0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1v4p h ALA 62 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1v4p h ALA 62 CO 0.03 0.00 -0.50 -0.91 0.00 0.00 0.00 179.25 177.87 1v4p h ASN 63 N 0.50 0.00 -0.53 0.00 2.35 -1.16 -2.19 115.58 114.55 1v4p h ASN 63 Ca 0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1v4p h ASN 63 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1v4p h ASN 63 CO -0.02 0.50 0.16 -0.08 -1.65 0.00 0.00 177.43 176.34 1v4p h GLU 64 N 0.00 0.82 -0.34 0.81 4.81 -0.60 -0.63 114.58 119.46 1v4p h GLU 64 Ca -0.01 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1v4p h GLU 64 Cb 0.91 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1v4p h GLU 64 CO 0.07 0.76 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.79 1v4p h LYS 65 N 0.73 0.58 -0.36 1.92 1.63 -0.87 -1.74 116.57 118.45 1v4p h LYS 65 Ca 0.17 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1v4p h LYS 65 Cb 0.28 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1v4p h LYS 65 CO -0.00 0.67 0.07 0.28 -3.45 0.00 0.00 179.45 177.01 1v4p h VAL 66 N 0.53 1.23 0.00 2.00 2.07 -0.89 -2.83 116.25 118.36 1v4p h VAL 66 Ca 0.10 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1v4p h VAL 66 Cb 0.49 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1v4p h VAL 66 CO 0.03 0.28 -0.21 0.11 0.02 0.00 0.00 177.57 177.80 1v4p h LYS 67 N 0.44 0.00 0.00 1.57 1.57 -0.78 -2.00 116.57 117.37 1v4p h LYS 67 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1v4p h LYS 67 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1v4p h LYS 67 CO 0.01 0.21 -0.02 0.93 -0.57 0.00 0.00 179.45 180.00 1v4p h GLU 68 N 0.00 0.00 -6.09 3.15 5.08 -1.07 -3.47 114.58 112.18 1v4p h GLU 68 Ca -0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 1v4p h GLU 68 Cb 0.42 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.73 1v4p h GLU 68 CO 0.03 0.02 -0.84 -1.71 -1.00 0.00 0.00 179.01 175.51 1v4p n ASN 69 N -3.14 -1.44 -4.80 1.42 5.15 -0.76 -4.96 115.26 106.73 1v4p n ASN 69 Ca -0.00 -0.83 -0.35 0.00 -0.60 0.00 0.00 54.58 52.80 1v4p n ASN 69 Cb 0.26 -4.03 -0.07 0.00 -0.53 0.00 0.00 39.78 35.41 1v4p n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1v4p s ALA 70 N -3.66 3.11 0.46 5.20 0.00 -1.26 -4.61 121.76 121.00 1v4p s ALA 70 Ca 0.03 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.23 1v4p s ALA 70 Cb -0.01 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1v4p s ALA 70 CO 0.81 0.14 1.12 -1.25 0.00 0.00 0.00 175.76 176.58 1v4p s PRO 71 N -2.68 3.78 -0.52 0.00 0.04 -1.26 -0.22 135.00 134.14 1v4p s PRO 71 Ca 0.57 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1v4p s PRO 71 Cb -0.13 -2.34 0.13 0.00 0.04 0.00 0.00 34.50 32.20 1v4p s PRO 71 CO 0.18 -0.50 0.42 0.42 0.04 0.00 0.00 177.00 177.56 1v4p s ILE 72 N -1.65 4.55 0.24 0.56 1.01 -0.16 -4.62 121.20 121.13 1v4p s ILE 72 Ca 0.64 -1.82 -0.28 0.00 0.00 0.00 0.00 60.65 59.19 1v4p s ILE 72 Cb -0.25 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 1v4p s ILE 72 CO 0.30 -0.83 0.90 -0.54 0.00 0.00 0.00 174.94 174.78 1v4p s LYS 73 N 1.27 4.74 -0.10 2.79 1.02 -0.08 -4.88 119.74 124.50 1v4p s LYS 73 Ca 0.06 1.37 0.03 0.00 0.02 0.00 0.00 55.97 57.46 1v4p s LYS 73 Cb -0.26 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1v4p s LYS 73 CO -0.00 0.49 -0.18 0.42 -0.92 0.00 0.00 175.35 175.16 1v4p s ILE 74 N -1.26 1.63 -0.13 2.17 -1.09 -1.26 -0.09 121.20 121.17 1v4p s ILE 74 Ca 0.41 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 1v4p s ILE 74 Cb -0.24 -1.45 0.01 0.00 -1.58 0.00 0.00 42.46 39.21 1v4p s ILE 74 CO 0.29 0.46 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.96 1v4p s TYR 75 N 0.66 2.40 -0.26 3.97 1.51 -0.16 -4.94 117.35 120.53 1v4p s TYR 75 Ca -0.13 -1.18 -0.10 0.00 -1.01 0.00 0.00 57.07 54.65 1v4p s TYR 75 Cb -0.16 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1v4p s TYR 75 CO 0.03 -0.55 0.16 -2.00 -1.11 0.00 0.00 175.55 172.08 1v4p s GLU 76 N 0.86 3.98 0.10 -0.62 2.12 -1.26 -0.14 118.70 123.74 1v4p s GLU 76 Ca -0.07 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.86 1v4p s GLU 76 Cb -0.15 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1v4p s GLU 76 CO -0.01 -0.05 0.19 -0.51 -0.54 0.00 0.00 175.26 174.33 1v4p s LEU 77 N 1.37 1.42 0.42 2.70 1.43 -0.01 -4.99 118.68 121.02 1v4p s LEU 77 Ca 0.07 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 1v4p s LEU 77 Cb -0.15 1.00 -0.09 0.00 0.03 0.00 0.00 46.19 46.99 1v4p s LEU 77 CO 0.07 -0.74 1.33 -2.84 0.23 0.00 0.00 176.35 174.39 1v4p s PRO 78 N -3.88 3.89 0.22 1.29 0.02 -1.26 -1.16 135.00 134.12 1v4p s PRO 78 Ca 0.07 2.21 -0.08 0.00 0.02 0.00 0.00 61.00 63.22 1v4p s PRO 78 Cb 0.05 -2.72 0.34 0.00 0.02 0.00 0.00 34.50 32.18 1v4p s PRO 78 CO -0.09 -0.57 1.71 -0.09 -0.33 0.00 0.00 177.00 177.62 1v4p h ARG 79 N 2.58 0.30 0.00 5.54 2.43 -0.65 -0.68 114.38 123.90 1v4p h ARG 79 Ca -0.50 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1v4p h ARG 79 Cb 1.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1v4p h ARG 79 CO 0.62 0.20 -0.23 1.05 -1.51 0.00 0.00 179.97 180.10 1v4p h GLU 80 N 0.31 0.00 -0.01 0.20 9.09 -1.90 -1.69 114.58 120.58 1v4p h GLU 80 Ca 0.34 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.50 1v4p h GLU 80 Cb 0.51 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.62 1v4p h GLU 80 CO -0.40 0.23 -1.01 1.49 0.05 0.00 0.00 179.01 179.37 1v4p h GLU 81 N 0.00 0.64 -0.88 1.06 4.57 -1.54 -2.24 114.58 116.19 1v4p h GLU 81 Ca -0.00 -0.68 -0.01 0.00 -1.18 0.00 0.00 59.36 57.49 1v4p h GLU 81 Cb 0.58 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 1v4p h GLU 81 CO 0.03 1.27 0.50 0.00 -1.18 0.00 0.00 179.01 179.63 1v4p h ALA 82 N 0.49 1.22 -0.56 2.92 0.00 -0.80 -0.55 119.26 121.99 1v4p h ALA 82 Ca -0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1v4p h ALA 82 Cb 1.65 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1v4p h ALA 82 CO 0.19 0.64 -0.05 0.93 0.00 0.00 0.00 179.25 180.96 1v4p h GLU 83 N 1.22 1.00 -0.47 0.00 5.08 -1.25 0.20 114.58 120.36 1v4p h GLU 83 Ca 0.31 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1v4p h GLU 83 Cb -0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1v4p h GLU 83 CO -0.05 1.01 -0.07 0.87 -1.00 0.00 0.00 179.01 179.76 1v4p h LYS 84 N 0.90 0.82 0.20 2.33 1.57 -0.79 0.58 116.57 122.19 1v4p h LYS 84 Ca 0.15 -0.26 -0.31 0.00 -1.87 0.00 0.00 60.65 58.36 1v4p h LYS 84 Cb 0.59 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.85 1v4p h LYS 84 CO 0.04 0.87 -1.40 0.52 -0.57 0.00 0.00 179.45 178.91 1v4p h MET 85 N 0.75 0.42 0.00 3.15 2.86 -0.82 -3.40 114.93 117.89 1v4p h MET 85 Ca 0.13 -0.72 -0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1v4p h MET 85 Cb 0.56 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1v4p h MET 85 CO 0.03 1.34 -1.31 1.19 1.06 0.00 0.00 176.91 179.23 1v4p n PHE 86 N -3.63 0.00 -2.15 -0.22 3.72 0.67 -5.09 117.46 110.76 1v4p n PHE 86 Ca -0.14 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.28 1v4p n PHE 86 Cb 1.07 -0.16 -0.00 0.00 -0.94 0.00 0.00 39.48 39.45 1v4p n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1v4p n GLY 87 N 2.14 -2.05 0.32 1.37 0.00 0.20 -4.21 105.19 102.95 1v4p n GLY 87 Ca -0.01 -1.41 0.20 0.00 0.00 0.00 0.00 46.02 44.80 1v4p n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1v4p h GLU 88 N 0.00 0.00 0.00 1.61 4.11 -1.95 -3.06 114.58 115.29 1v4p h GLU 88 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1v4p h GLU 88 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1v4p h GLU 88 CO 0.00 0.01 0.00 -0.25 0.07 0.00 0.00 179.01 178.84 1v4p n ASP 89 N -3.15 0.58 0.07 3.06 8.00 -1.26 -1.85 116.55 122.00 1v4p n ASP 89 Ca -0.02 0.71 0.12 0.00 0.71 0.00 0.00 54.79 56.32 1v4p n ASP 89 Cb 0.15 -0.81 0.47 0.00 -0.02 0.00 0.00 41.12 40.91 1v4p n ASP 89 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1v4p n MET 90 N -2.22 0.14 -3.70 -1.24 0.00 -1.16 -4.75 117.12 104.20 1v4p n MET 90 Ca 0.00 0.19 -0.26 0.00 0.00 0.00 0.00 57.70 57.63 1v4p n MET 90 Cb 0.11 -1.69 -0.03 0.00 0.00 0.00 0.00 33.22 31.61 1v4p n MET 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1v4p s TYR 91 N -3.10 3.48 0.18 3.17 1.51 -0.77 0.11 117.35 121.93 1v4p s TYR 91 Ca 0.10 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.46 1v4p s TYR 91 Cb 0.13 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1v4p s TYR 91 CO 0.51 0.36 0.24 -0.40 -1.11 0.00 0.00 175.55 175.15 1v4p n ASP 92 N -0.89 0.49 0.00 2.29 5.75 -1.26 -4.71 116.55 118.23 1v4p n ASP 92 Ca -0.05 -1.38 0.12 0.00 -0.01 0.00 0.00 54.79 53.47 1v4p n ASP 92 Cb 0.54 -0.14 0.69 0.00 -1.03 0.00 0.00 41.12 41.18 1v4p n ASP 92 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1v4p n LEU 93 N 0.00 0.00 -3.15 -2.12 4.77 0.36 -3.92 117.00 112.93 1v4p n LEU 93 Ca 0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 1v4p n LEU 93 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1v4p n LEU 93 CO 0.11 0.00 -0.09 0.49 -1.33 0.00 0.00 177.39 176.56 1v4p n PHE 94 N -0.94 1.65 -1.69 -1.77 3.01 -1.26 -5.08 117.46 111.38 1v4p n PHE 94 Ca 0.17 -3.87 -0.39 0.00 1.01 0.00 0.00 57.45 54.37 1v4p n PHE 94 Cb 0.08 -0.45 0.03 0.00 -0.01 0.00 0.00 39.48 39.14 1v4p n PHE 94 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1v4p n PRO 95 N 0.44 1.58 -1.06 -1.08 -0.04 -1.25 -4.95 135.00 128.63 1v4p n PRO 95 Ca 0.27 0.58 -0.32 0.00 -0.04 0.00 0.00 63.50 63.98 1v4p n PRO 95 Cb 0.52 -2.39 0.13 0.00 -0.04 0.00 0.00 33.50 31.72 1v4p n PRO 95 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1v4p s VAL 96 N -1.30 2.45 0.34 0.52 -7.23 -1.26 -4.90 120.40 109.01 1v4p s VAL 96 Ca 0.68 0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 60.76 1v4p s VAL 96 Cb -0.46 -2.46 -0.13 0.00 0.56 0.00 0.00 36.38 33.89 1v4p s VAL 96 CO 0.52 -0.17 0.84 -2.65 -0.31 0.00 0.00 175.10 173.34 1v4p n PRO 97 N -3.59 1.02 0.05 4.82 -0.02 -1.26 -4.82 135.00 131.20 1v4p n PRO 97 Ca 0.12 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 1v4p n PRO 97 Cb 0.52 -1.71 0.23 0.00 -0.02 0.00 0.00 33.50 32.52 1v4p n PRO 97 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1v4p n GLU 98 N 0.59 0.05 0.13 -0.52 1.02 -1.26 -1.50 120.64 119.16 1v4p n GLU 98 Ca 0.11 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.88 1v4p n GLU 98 Cb 0.35 -1.65 0.49 0.00 -0.02 0.00 0.00 31.44 30.60 1v4p n GLU 98 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1v4p n ASP 99 N -1.76 0.72 -4.59 1.62 5.68 -1.26 -4.50 116.55 112.46 1v4p n ASP 99 Ca 0.00 0.66 -0.43 0.00 -0.50 0.00 0.00 54.79 54.52 1v4p n ASP 99 Cb 0.04 -0.82 -0.04 0.00 -1.14 0.00 0.00 41.12 39.17 1v4p n ASP 99 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1v4p s VAL 100 N -3.30 4.48 -1.66 2.12 1.01 -0.56 -4.90 120.40 117.59 1v4p s VAL 100 Ca 0.05 1.01 0.23 0.00 0.00 0.00 0.00 61.98 63.27 1v4p s VAL 100 Cb 0.10 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1v4p s VAL 100 CO 0.43 -0.73 1.10 0.54 0.00 0.00 0.00 175.10 176.44 1v4p n ARG 101 N 7.09 0.77 -4.86 2.72 5.12 -1.26 -4.81 116.66 121.42 1v4p n ARG 101 Ca 0.07 -0.61 -0.33 0.00 -1.93 0.00 0.00 57.85 55.06 1v4p n ARG 101 Cb 0.48 -1.49 -0.15 0.00 -1.16 0.00 0.00 32.46 30.14 1v4p n ARG 101 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1v4p s ILE 102 N -2.66 2.61 0.08 0.55 1.01 -1.26 0.11 121.20 121.64 1v4p s ILE 102 Ca 0.16 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.06 1v4p s ILE 102 Cb 0.18 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1v4p s ILE 102 CO 0.66 0.53 -0.18 -0.76 0.00 0.00 0.00 174.94 175.19 1v4p s LEU 103 N 0.47 2.25 -0.17 2.97 1.43 -0.31 -4.87 118.68 120.46 1v4p s LEU 103 Ca -0.12 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1v4p s LEU 103 Cb -0.16 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1v4p s LEU 103 CO 0.05 0.04 -0.05 -0.54 0.23 0.00 0.00 176.35 176.09 1v4p s LYS 104 N -1.62 3.57 -0.17 1.70 1.02 -1.26 -0.83 119.74 122.15 1v4p s LYS 104 Ca 0.04 -0.56 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1v4p s LYS 104 Cb -0.09 -2.91 -0.00 0.00 -0.52 0.00 0.00 37.83 34.30 1v4p s LYS 104 CO 0.03 0.13 -0.13 0.08 -0.92 0.00 0.00 175.35 174.54 1v4p s VAL 105 N 0.64 2.79 -0.12 3.17 1.01 0.80 -0.84 120.40 127.85 1v4p s VAL 105 Ca -0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1v4p s VAL 105 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1v4p s VAL 105 CO 0.02 0.50 0.39 -0.69 0.00 0.00 0.00 175.10 175.32 1v4p s VAL 106 N 0.93 5.22 -0.06 2.92 1.01 0.55 -0.99 120.40 129.98 1v4p s VAL 106 Ca -0.03 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1v4p s VAL 106 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1v4p s VAL 106 CO -0.01 0.39 -0.07 -0.69 0.00 0.00 0.00 175.10 174.72 1v4p s VAL 107 N 0.28 0.77 -0.25 2.92 1.01 0.87 -1.11 120.40 124.89 1v4p s VAL 107 Ca 0.22 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1v4p s VAL 107 Cb -0.14 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1v4p s VAL 107 CO 0.08 0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.74 1v4p s ILE 108 N 0.96 2.42 0.18 2.22 1.01 -0.21 -0.90 121.20 126.87 1v4p s ILE 108 Ca -0.10 -1.39 -0.32 0.00 0.00 0.00 0.00 60.65 58.84 1v4p s ILE 108 Cb -0.15 -2.33 -0.16 0.00 0.01 0.00 0.00 42.46 39.84 1v4p s ILE 108 CO 0.00 0.08 1.13 -0.62 0.00 0.00 0.00 174.94 175.53 1v4p n GLU 109 N 4.53 1.12 -4.11 2.79 -0.58 -1.26 -1.49 120.64 121.65 1v4p n GLU 109 Ca -0.15 0.40 -0.33 0.00 -0.42 0.00 0.00 57.16 56.66 1v4p n GLU 109 Cb 0.44 -1.87 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 1v4p n GLU 109 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1v4p n ASP 110 N 1.94 -2.82 0.16 1.62 2.03 -1.26 -4.69 116.55 113.52 1v4p n ASP 110 Ca 0.15 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1v4p n ASP 110 Cb 0.25 -3.01 0.00 0.00 -0.72 0.00 0.00 41.12 37.63 1v4p n ASP 110 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1v4p n TRP 111 N -4.44 -3.35 -3.60 -0.67 -0.00 -0.69 -5.12 117.44 99.57 1v4p n TRP 111 Ca -0.02 0.91 -0.15 0.00 -0.00 0.00 0.00 57.50 58.23 1v4p n TRP 111 Cb 0.54 2.19 -0.07 0.00 -0.00 0.00 0.00 31.31 33.97 1v4p n TRP 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1v4p s ASN 112 N -3.24 -0.68 -0.08 5.87 3.84 -0.56 -4.23 114.94 115.87 1v4p s ASN 112 Ca 0.00 1.12 -0.00 0.00 0.21 0.00 0.00 52.86 54.18 1v4p s ASN 112 Cb 0.00 1.08 0.02 0.00 -0.55 0.00 0.00 41.25 41.80 1v4p s ASN 112 CO 0.00 -0.37 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.21 1v4p s VAL 113 N -0.21 0.64 -0.20 -5.21 1.01 -1.26 -1.05 120.40 114.12 1v4p s VAL 113 Ca -0.04 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1v4p s VAL 113 Cb -0.03 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.70 1v4p s VAL 113 CO 0.04 0.29 0.50 0.21 0.00 0.00 0.00 175.10 176.14 1v4p s ASN 114 N 1.57 -0.64 -0.22 3.32 3.84 -0.27 -4.23 114.94 118.31 1v4p s ASN 114 Ca -0.00 1.08 -0.29 0.00 0.21 0.00 0.00 52.86 53.86 1v4p s ASN 114 Cb -0.13 0.99 -0.02 0.00 -0.55 0.00 0.00 41.25 41.53 1v4p s ASN 114 CO -0.04 -0.20 1.52 0.00 -2.79 0.00 0.00 177.10 175.59 1v4p s ALA 115 N 1.26 3.36 -0.19 1.71 0.00 0.12 -0.33 121.76 127.69 1v4p s ALA 115 Ca -0.08 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 1v4p s ALA 115 Cb -0.07 -3.80 0.06 0.00 0.00 0.00 0.00 23.12 19.31 1v4p s ALA 115 CO -0.12 -1.79 0.46 0.00 0.00 0.00 0.00 175.76 174.30 1v4p n ASN 117 N 3.96 3.28 -4.69 0.00 3.02 -1.26 -4.53 115.26 115.03 1v4p n ASN 117 Ca -0.21 -1.97 -0.29 0.00 -0.03 0.00 0.00 54.58 52.08 1v4p n ASN 117 Cb 0.56 -0.18 0.12 0.00 -0.61 0.00 0.00 39.78 39.67 1v4p n ASN 117 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1v4p s LYS 118 N -1.55 1.58 0.19 3.52 1.02 -1.26 -5.05 119.74 118.19 1v4p s LYS 118 Ca 0.34 -0.03 -0.21 0.00 0.02 0.00 0.00 55.97 56.09 1v4p s LYS 118 Cb 0.21 -1.92 -0.08 0.00 -0.52 0.00 0.00 37.83 35.52 1v4p s LYS 118 CO 0.30 -1.84 0.72 -1.21 -0.92 0.00 0.00 175.35 172.41 1v4p s GLU 119 N -5.66 4.34 0.24 1.68 0.41 -1.26 -5.08 118.70 113.37 1v4p s GLU 119 Ca 0.65 0.94 0.03 0.00 -0.41 0.00 0.00 54.97 56.19 1v4p s GLU 119 Cb -0.09 -3.03 -0.05 0.00 -1.78 0.00 0.00 34.13 29.18 1v4p s GLU 119 CO 0.50 0.47 0.02 -1.01 -0.49 0.00 0.00 175.26 174.75 1v4p s HIS 120 N -1.37 1.56 0.81 1.61 3.76 -1.26 -4.70 115.29 115.69 1v4p s HIS 120 Ca 0.39 -0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 1v4p s HIS 120 Cb -0.19 -0.91 0.08 0.00 1.11 0.00 0.00 32.58 32.66 1v4p s HIS 120 CO 0.22 -0.10 1.11 0.95 -0.85 0.00 0.00 174.74 176.07 1v4p s THR 121 N -3.49 2.88 0.12 1.30 -4.23 -1.26 -4.97 115.64 105.99 1v4p s THR 121 Ca 0.30 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1v4p s THR 121 Cb 0.06 -3.07 -0.21 0.00 1.34 0.00 0.00 72.50 70.62 1v4p s THR 121 CO 0.10 -0.37 1.27 0.11 -0.54 0.00 0.00 174.62 175.19 1v4p h LYS 122 N -1.11 0.16 -4.80 3.99 6.56 -1.96 -3.43 116.57 115.98 1v4p h LYS 122 Ca -0.47 -0.23 -0.26 0.00 -1.06 0.00 0.00 60.65 58.62 1v4p h LYS 122 Cb 1.28 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 32.87 1v4p h LYS 122 CO 0.61 1.05 -0.70 0.95 -2.06 0.00 0.00 179.45 179.30 1v4p s THR 123 N -2.88 0.83 0.29 -0.16 -4.23 -1.26 -0.99 115.64 107.24 1v4p s THR 123 Ca -0.02 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1v4p s THR 123 Cb 0.09 -1.81 0.24 0.00 1.34 0.00 0.00 72.50 72.37 1v4p s THR 123 CO 0.84 -0.77 1.94 0.71 -0.54 0.00 0.00 174.62 176.80 1v4p h THR 124 N 2.86 0.64 0.00 3.99 1.35 -0.85 -2.98 112.91 117.92 1v4p h THR 124 Ca -0.36 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 64.57 1v4p h THR 124 Cb 1.18 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 1v4p h THR 124 CO 0.64 0.20 -0.22 1.23 -0.25 0.00 0.00 175.52 177.11 1v4p h GLY 125 N 1.40 0.00 2.00 5.82 0.00 -1.78 -2.30 103.07 108.22 1v4p h GLY 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v4p h GLY 125 CO 0.03 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.75 1v4p n GLU 126 N -3.92 0.05 -0.05 4.80 1.02 -1.12 -3.04 120.64 118.38 1v4p n GLU 126 Ca -0.02 0.25 -0.14 0.00 -0.02 0.00 0.00 57.16 57.23 1v4p n GLU 126 Cb 0.31 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1v4p n GLU 126 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1v4p h ILE 127 N 0.00 1.37 0.00 -3.67 2.04 -1.58 -3.48 117.51 112.19 1v4p h ILE 127 Ca 0.00 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1v4p h ILE 127 Cb 0.33 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1v4p h ILE 127 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.23 1v4p n GLY 128 N 0.49 -0.10 3.69 5.37 0.00 -1.17 -4.86 105.19 108.60 1v4p n GLY 128 Ca -0.07 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1v4p n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1v4p n PRO 129 N -0.10 2.10 -4.99 1.61 -0.02 -1.26 -4.95 135.00 127.39 1v4p n PRO 129 Ca 0.00 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 1v4p n PRO 129 Cb 0.00 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 1v4p n PRO 129 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1v4p s ILE 130 N -0.83 2.67 -0.16 4.25 1.01 -1.26 -3.68 121.20 123.20 1v4p s ILE 130 Ca 0.59 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1v4p s ILE 130 Cb -0.59 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1v4p s ILE 130 CO 0.59 0.56 -0.20 -0.75 0.00 0.00 0.00 174.94 175.14 1v4p s LYS 131 N -0.10 3.04 -0.09 2.79 2.20 -0.28 -4.85 119.74 122.45 1v4p s LYS 131 Ca -0.03 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 1v4p s LYS 131 Cb -0.14 -2.52 -0.01 0.00 -1.51 0.00 0.00 37.83 33.65 1v4p s LYS 131 CO 0.04 -0.08 1.00 0.42 -0.36 0.00 0.00 175.35 176.37 1v4p s ILE 132 N 1.00 4.80 0.00 5.43 -1.09 -1.26 -1.07 121.20 129.01 1v4p s ILE 132 Ca -0.02 2.04 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1v4p s ILE 132 Cb -0.15 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1v4p s ILE 132 CO -0.06 0.03 0.00 -1.14 -1.23 0.00 0.00 174.94 172.54 1v4p n ARG 133 N 4.85 0.00 -2.88 2.79 0.00 0.38 -4.96 116.66 116.84 1v4p n ARG 133 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.57 1v4p n ARG 133 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.89 1v4p n ARG 133 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1v4p s LYS 134 N 1.86 4.46 -0.13 -0.14 1.02 -1.24 -4.84 119.74 120.74 1v4p s LYS 134 Ca 0.00 1.18 0.01 0.00 0.02 0.00 0.00 55.97 57.18 1v4p s LYS 134 Cb 0.00 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1v4p s LYS 134 CO 0.00 0.30 -0.15 0.08 -0.92 0.00 0.00 175.35 174.66 1v4p s VAL 135 N -1.62 1.58 -0.09 3.17 1.01 -1.26 -0.76 120.40 122.42 1v4p s VAL 135 Ca 0.49 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1v4p s VAL 135 Cb -0.17 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1v4p s VAL 135 CO 0.22 0.46 -0.10 -0.13 0.00 0.00 0.00 175.10 175.55 1v4p s ARG 136 N 1.23 1.62 -0.25 2.72 1.81 -0.35 -4.97 118.95 120.76 1v4p s ARG 136 Ca -0.01 -0.34 -0.11 0.00 -1.72 0.00 0.00 55.73 53.56 1v4p s ARG 136 Cb -0.14 -1.51 -0.05 0.00 -0.45 0.00 0.00 34.95 32.81 1v4p s ARG 136 CO -0.06 -0.13 0.19 0.12 -0.68 0.00 0.00 175.30 174.74 1v4p s PHE 137 N 1.20 3.29 -0.83 -0.53 5.99 -1.26 -0.26 117.98 125.58 1v4p s PHE 137 Ca -0.04 0.22 -0.06 0.00 0.00 0.00 0.00 56.93 57.05 1v4p s PHE 137 Cb -0.14 -2.32 0.21 0.00 0.00 0.00 0.00 43.02 40.77 1v4p s PHE 137 CO -0.03 -0.01 0.73 1.03 -0.00 0.00 0.00 175.22 176.94 1v4p s ARG 138 N 1.30 3.27 0.21 10.12 0.52 0.46 -4.96 118.95 129.88 1v4p s ARG 138 Ca 0.08 -2.88 -0.16 0.00 -0.52 0.00 0.00 55.73 52.25 1v4p s ARG 138 Cb -0.14 -4.08 0.21 0.00 0.52 0.00 0.00 34.95 31.46 1v4p s ARG 138 CO 0.07 -1.24 1.60 -0.22 0.02 0.00 0.00 175.30 175.52 1v4p h LYS 139 N 6.78 -0.07 -0.01 3.54 3.64 -1.95 0.17 116.57 128.66 1v4p h LYS 139 Ca 0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1v4p h LYS 139 Cb 0.91 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1v4p h LYS 139 CO 0.81 -0.05 0.03 0.66 -2.27 0.00 0.00 179.45 178.63 1v4p h SER 140 N -0.08 0.00 0.00 4.20 4.64 -1.97 -2.05 113.55 118.29 1v4p h SER 140 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1v4p h SER 140 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1v4p h SER 140 CO -0.72 0.00 -1.14 0.29 -0.87 0.00 0.00 176.83 174.39 1v4p n LYS 141 N -3.47 1.20 -2.92 4.77 4.76 0.03 -4.99 118.16 117.53 1v4p n LYS 141 Ca -0.03 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.19 1v4p n LYS 141 Cb 0.11 -1.32 0.03 0.00 -1.84 0.00 0.00 35.03 32.01 1v4p n LYS 141 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1v4p n GLY 142 N 1.44 -0.20 3.27 0.72 0.00 0.37 -4.98 105.19 105.81 1v4p n GLY 142 Ca 0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1v4p n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v4p s LEU 143 N -5.19 2.04 -0.17 0.99 1.43 -1.11 -1.69 118.68 114.98 1v4p s LEU 143 Ca 0.27 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1v4p s LEU 143 Cb -0.12 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1v4p s LEU 143 CO 0.33 0.29 -0.19 -0.22 0.23 0.00 0.00 176.35 176.78 1v4p s LEU 144 N -0.52 2.20 -0.16 1.79 2.96 0.59 -0.40 118.68 125.14 1v4p s LEU 144 Ca 0.08 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1v4p s LEU 144 Cb -0.09 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1v4p s LEU 144 CO -0.01 0.03 0.09 -1.61 -1.32 0.00 0.00 176.35 173.53 1v4p s GLU 145 N 1.11 3.82 -0.28 1.98 2.02 0.65 -1.30 118.70 126.70 1v4p s GLU 145 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1v4p s GLU 145 Cb -0.14 -3.21 0.07 0.00 0.10 0.00 0.00 34.13 30.94 1v4p s GLU 145 CO -0.08 0.42 -0.07 0.42 0.02 0.00 0.00 175.26 175.98 1v4p s ILE 146 N -0.03 2.29 -0.15 -1.63 1.09 0.52 -1.21 121.20 122.07 1v4p s ILE 146 Ca 0.07 -1.72 -0.14 0.00 -1.10 0.00 0.00 60.65 57.76 1v4p s ILE 146 Cb -0.12 -2.40 -0.05 0.00 -1.06 0.00 0.00 42.46 38.83 1v4p s ILE 146 CO 0.01 -0.13 0.32 -1.00 -0.10 0.00 0.00 174.94 174.03 1v4p s HIS 147 N 1.09 3.47 0.16 3.97 3.76 0.06 -1.43 115.29 126.36 1v4p s HIS 147 Ca -0.05 0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 55.48 1v4p s HIS 147 Cb -0.20 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1v4p s HIS 147 CO -0.05 0.23 0.10 -0.59 -0.85 0.00 0.00 174.74 173.58 1v4p s PHE 148 N 0.48 0.93 0.02 1.40 -0.12 -0.40 0.14 117.98 120.43 1v4p s PHE 148 Ca 0.18 -1.25 -0.09 0.00 -0.05 0.00 0.00 56.93 55.71 1v4p s PHE 148 Cb -0.13 -0.47 0.01 0.00 -0.63 0.00 0.00 43.02 41.79 1v4p s PHE 148 CO 0.05 -0.58 0.19 -1.83 -0.05 0.00 0.00 175.22 172.99 1v4p s GLU 149 N -4.08 0.60 0.38 1.99 -1.05 -0.23 -0.95 118.70 115.37 1v4p s GLU 149 Ca 0.29 -0.47 0.08 0.00 -0.15 0.00 0.00 54.97 54.71 1v4p s GLU 149 Cb 0.07 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1v4p s GLU 149 CO 0.05 -0.16 0.35 -0.51 0.95 0.00 0.00 175.26 175.94 1v4p s LEU 150 N -1.69 3.48 0.00 1.83 1.43 -0.06 -1.12 118.68 122.55 1v4p s LEU 150 Ca -0.10 -0.63 0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1v4p s LEU 150 Cb -0.04 -2.14 1.40 0.00 0.03 0.00 0.00 46.19 45.44 1v4p s LEU 150 CO -0.00 -0.53 1.94 0.18 0.23 0.00 0.00 176.35 178.16