#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4t s ASN 3 N 0.00 -0.65 0.21 0.00 2.20 -1.26 -5.06 114.94 110.38 3k4t s ASN 3 Ca 0.00 1.00 -0.02 0.00 -0.94 0.00 0.00 52.86 52.90 3k4t s ASN 3 Cb 0.00 0.94 0.19 0.00 -2.00 0.00 0.00 41.25 40.38 3k4t s ASN 3 CO 0.00 -0.41 1.57 0.25 -2.94 0.00 0.00 177.10 175.57 3k4t h LEU 4 N 4.10 0.60 -0.27 3.54 5.85 -2.05 -2.48 115.31 124.59 3k4t h LEU 4 Ca -0.28 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.23 3k4t h LEU 4 Cb 1.15 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 3k4t h LEU 4 CO 0.24 0.96 -0.23 0.78 -0.34 0.00 0.00 178.44 179.84 3k4t h ASN 5 N 0.45 -0.74 -0.21 1.25 2.35 -1.99 -0.00 115.58 116.68 3k4t h ASN 5 Ca 0.03 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3k4t h ASN 5 Cb 0.95 0.36 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3k4t h ASN 5 CO 0.08 -0.26 0.12 -0.61 -1.65 0.00 0.00 177.43 175.11 3k4t h GLN 6 N -0.22 0.29 -0.64 0.81 5.75 -1.92 -2.55 115.11 116.63 3k4t h GLN 6 Ca 0.15 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.74 3k4t h GLN 6 Cb 0.45 -0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.84 3k4t h GLN 6 CO -0.40 0.26 0.11 0.82 -2.65 0.00 0.00 178.83 176.97 3k4t h ILE 7 N 0.24 0.58 -0.46 2.39 2.04 -1.20 0.58 117.51 121.68 3k4t h ILE 7 Ca 0.07 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3k4t h ILE 7 Cb 0.05 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3k4t h ILE 7 CO -0.01 0.04 0.20 -0.61 0.00 0.00 0.00 178.15 177.77 3k4t h GLN 8 N 0.23 0.40 0.23 2.37 4.15 -0.68 0.97 115.11 122.78 3k4t h GLN 8 Ca 0.34 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 3k4t h GLN 8 Cb 0.54 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3k4t h GLN 8 CO -0.46 0.26 -0.19 0.87 -1.93 0.00 0.00 178.83 177.39 3k4t h LYS 9 N 0.41 -0.42 -0.44 1.69 1.79 -0.96 -0.44 116.57 118.20 3k4t h LYS 9 Ca 0.21 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.79 3k4t h LYS 9 Cb 0.16 0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 3k4t h LYS 9 CO -0.18 -0.28 0.01 0.93 -1.08 0.00 0.00 179.45 178.85 3k4t h GLU 10 N -0.43 0.11 -0.21 3.15 5.08 -0.07 0.29 114.58 122.49 3k4t h GLU 10 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k4t h GLU 10 Cb 0.39 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3k4t h GLU 10 CO -0.02 0.07 0.14 0.28 -1.00 0.00 0.00 179.01 178.48 3k4t h VAL 11 N 0.12 1.05 -0.93 3.13 2.07 0.12 -0.86 116.25 120.95 3k4t h VAL 11 Ca 0.22 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3k4t h VAL 11 Cb 0.32 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 3k4t h VAL 11 CO -0.36 0.05 0.57 0.28 0.02 0.00 0.00 177.57 178.13 3k4t h SER 12 N 0.28 0.84 -0.51 0.57 0.02 -0.27 -1.49 113.55 112.98 3k4t h SER 12 Ca 0.08 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3k4t h SER 12 Cb -0.03 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3k4t h SER 12 CO -0.02 0.47 0.15 -0.08 -1.14 0.00 0.00 176.83 176.21 3k4t h GLU 13 N 0.93 0.80 -0.18 3.45 4.81 -0.10 -1.16 114.58 123.14 3k4t h GLU 13 Ca 0.45 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3k4t h GLU 13 Cb 0.40 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3k4t h GLU 13 CO -0.25 0.75 0.01 0.82 -0.73 0.00 0.00 179.01 179.60 3k4t h ILE 14 N 0.70 0.88 0.30 2.32 2.04 -0.67 -1.41 117.51 121.68 3k4t h ILE 14 Ca 0.16 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3k4t h ILE 14 Cb 0.28 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3k4t h ILE 14 CO -0.00 0.01 -0.32 0.25 0.00 0.00 0.00 178.15 178.09 3k4t h LEU 15 N 0.07 -0.88 0.06 1.44 5.85 -0.96 -0.70 115.31 120.19 3k4t h LEU 15 Ca 0.08 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3k4t h LEU 15 Cb 0.10 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3k4t h LEU 15 CO -0.13 -0.45 -0.41 -1.28 -0.34 0.00 0.00 178.44 175.82 3k4t h SER 16 N -0.66 -1.23 -0.75 1.25 0.87 -1.11 -1.78 113.55 110.13 3k4t h SER 16 Ca -0.01 0.14 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 3k4t h SER 16 Cb 0.61 0.47 -0.05 0.00 -0.44 0.00 0.00 62.40 62.99 3k4t h SER 16 CO -0.07 -0.47 0.49 0.44 -0.53 0.00 0.00 176.83 176.69 3k4t h ASP 17 N -0.60 0.67 -0.11 6.23 3.32 -1.02 -2.25 116.42 122.66 3k4t h ASP 17 Ca 0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3k4t h ASP 17 Cb 0.66 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3k4t h ASP 17 CO -0.28 0.43 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.05 3k4t h GLN 18 N 0.76 0.20 -0.82 3.56 4.15 -0.58 -0.47 115.11 121.92 3k4t h GLN 18 Ca 0.33 -0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.82 3k4t h GLN 18 Cb 0.31 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 27.84 3k4t h GLN 18 CO -0.12 0.47 -0.36 0.87 -1.93 0.00 0.00 178.83 177.76 3k4t h LYS 19 N -0.09 -0.07 -0.56 1.69 1.57 -0.81 0.55 116.57 118.84 3k4t h LYS 19 Ca 0.03 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3k4t h LYS 19 Cb 0.39 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 3k4t h LYS 19 CO 0.01 -0.05 0.17 0.77 -0.57 0.00 0.00 179.45 179.78 3k4t h SER 20 N -0.07 0.12 -0.50 0.86 0.02 -0.91 -2.55 113.55 110.51 3k4t h SER 20 Ca 0.30 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3k4t h SER 20 Cb 0.58 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3k4t h SER 20 CO -0.85 0.08 0.16 -0.03 -1.14 0.00 0.00 176.83 175.05 3k4t h MET 21 N 0.33 0.77 -0.51 3.45 -1.53 0.75 -0.61 114.93 117.59 3k4t h MET 21 Ca 0.28 -0.16 0.10 0.00 -3.44 0.00 0.00 59.70 56.48 3k4t h MET 21 Cb 0.37 -0.11 -0.09 0.00 -0.55 0.00 0.00 31.60 31.21 3k4t h MET 21 CO -0.32 0.72 -0.05 0.87 0.14 0.00 0.00 176.91 178.27 3k4t h LYS 22 N 0.68 0.06 -0.48 0.39 1.57 0.30 0.16 116.57 119.25 3k4t h LYS 22 Ca 0.16 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3k4t h LYS 22 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3k4t h LYS 22 CO -0.01 0.04 0.03 0.00 -0.57 0.00 0.00 179.45 178.95 3k4t h ALA 23 N 1.48 0.64 -0.77 3.86 0.00 -1.15 -0.48 119.26 122.84 3k4t h ALA 23 Ca 0.25 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3k4t h ALA 23 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3k4t h ALA 23 CO -0.47 0.41 0.26 -0.44 0.00 0.00 0.00 179.25 179.01 3k4t h ASP 24 N 0.68 1.10 -0.44 0.00 3.32 -0.77 -1.65 116.42 118.65 3k4t h ASP 24 Ca 0.14 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 3k4t h ASP 24 Cb 0.46 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3k4t h ASP 24 CO 0.02 1.00 0.07 0.40 -1.72 0.00 0.00 179.24 179.01 3k4t h ILE 25 N 1.13 1.25 -0.36 0.35 2.04 -0.57 -2.51 117.51 118.83 3k4t h ILE 25 Ca 0.25 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.28 3k4t h ILE 25 Cb 0.28 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3k4t h ILE 25 CO -0.01 0.32 -0.12 0.11 0.00 0.00 0.00 178.15 178.45 3k4t h LYS 26 N 0.60 -0.04 -0.18 2.37 1.79 -0.89 -2.24 116.57 117.97 3k4t h LYS 26 Ca 0.13 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.66 3k4t h LYS 26 Cb 0.39 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 3k4t h LYS 26 CO 0.01 -0.02 -0.22 0.00 -1.08 0.00 0.00 179.45 178.14 3k4t h ALA 27 N 1.30 -0.13 -0.73 3.86 0.00 -1.17 0.25 119.26 122.63 3k4t h ALA 27 Ca 0.18 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.31 3k4t h ALA 27 Cb 0.31 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 3k4t h ALA 27 CO -0.40 -0.66 0.13 0.82 0.00 0.00 0.00 179.25 179.15 3k4t h ILE 28 N -0.25 0.47 -0.07 0.00 2.04 -1.22 0.45 117.51 118.92 3k4t h ILE 28 Ca 0.12 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3k4t h ILE 28 Cb 0.42 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3k4t h ILE 28 CO -0.33 0.04 -0.02 0.25 0.00 0.00 0.00 178.15 178.10 3k4t h LEU 29 N 0.22 0.14 0.00 1.44 5.85 -0.78 -0.47 115.31 121.71 3k4t h LEU 29 Ca 0.41 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3k4t h LEU 29 Cb 0.72 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3k4t h LEU 29 CO -0.55 0.48 0.00 -0.62 -0.34 0.00 0.00 178.44 177.42 3k4t n GLU 30 N -4.81 0.29 -0.00 1.25 -0.58 0.82 -1.21 120.64 116.40 3k4t n GLU 30 Ca -0.07 0.09 0.03 0.00 -0.42 0.00 0.00 57.16 56.80 3k4t n GLU 30 Cb 0.23 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.56 3k4t n GLU 30 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3k4t n LEU 31 N -1.17 0.16 0.10 -4.62 7.94 0.11 -3.42 117.00 116.09 3k4t n LEU 31 Ca 0.08 -0.27 0.07 0.00 -1.11 0.00 0.00 56.01 54.77 3k4t n LEU 31 Cb 0.08 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.02 3k4t n LEU 31 CO 0.09 0.04 0.05 -0.07 -1.11 0.00 0.00 177.39 176.39 3k4t h LEU 32 N 0.00 0.00 0.06 -1.96 3.38 -0.94 -3.29 115.31 112.55 3k4t h LEU 32 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3k4t h LEU 32 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3k4t h LEU 32 CO 0.00 0.24 -1.20 1.23 0.09 0.00 0.00 178.44 178.80 3k4t h GLY 33 N 3.86 0.13 1.02 0.83 0.00 -1.36 -3.29 103.07 104.27 3k4t h GLY 33 Ca -0.05 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3k4t h GLY 33 CO 0.02 0.30 -0.29 1.76 0.00 0.00 0.00 176.54 178.33 3k4t h SER 34 N 0.03 0.84 -1.95 0.19 0.02 -1.71 -3.41 113.55 107.57 3k4t h SER 34 Ca -0.10 -0.45 -0.60 0.00 -0.84 0.00 0.00 61.79 59.80 3k4t h SER 34 Cb 1.88 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 64.20 3k4t h SER 34 CO 0.15 1.12 1.31 1.67 -1.14 0.00 0.00 176.83 179.95 3k4t n GLN 35 N -4.21 2.10 -3.51 3.45 7.27 -1.24 -4.94 117.38 116.31 3k4t n GLN 35 Ca -0.03 0.69 -0.27 0.00 0.07 0.00 0.00 57.00 57.47 3k4t n GLN 35 Cb 0.48 -2.91 -0.03 0.00 2.41 0.00 0.00 30.24 30.20 3k4t n GLN 35 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3k4t s ASN 36 N 6.11 6.38 -0.10 1.69 2.20 -1.26 -4.93 114.94 125.03 3k4t s ASN 36 Ca 0.97 0.51 -0.25 0.00 -0.94 0.00 0.00 52.86 53.15 3k4t s ASN 36 Cb -0.54 -2.06 -0.12 0.00 -2.00 0.00 0.00 41.25 36.54 3k4t s ASN 36 CO 0.44 -0.16 0.73 -2.65 -2.94 0.00 0.00 177.10 172.52 3k4t n PRO 37 N -1.04 0.00 -0.14 3.55 -0.02 -1.26 -4.88 135.00 131.20 3k4t n PRO 37 Ca -0.04 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 3k4t n PRO 37 Cb 0.54 -0.88 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 3k4t n PRO 37 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3k4t h ILE 38 N 2.16 1.27 0.00 4.25 2.04 -1.99 -2.53 117.51 122.72 3k4t h ILE 38 Ca -0.29 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 3k4t h ILE 38 Cb 0.83 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3k4t h ILE 38 CO 0.45 0.38 -0.08 0.50 0.00 0.00 0.00 178.15 179.40 3k4t h LYS 39 N 0.61 0.00 0.05 2.37 3.64 -2.00 -0.59 116.57 120.65 3k4t h LYS 39 Ca 0.11 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.17 3k4t h LYS 39 Cb 0.57 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3k4t h LYS 39 CO 0.03 0.08 -1.79 1.49 -2.27 0.00 0.00 179.45 176.99 3k4t h GLU 40 N 0.00 0.11 -0.24 1.90 4.22 -1.92 -3.30 114.58 115.35 3k4t h GLU 40 Ca -0.00 -0.19 -0.18 0.00 0.08 0.00 0.00 59.36 59.07 3k4t h GLU 40 Cb 0.32 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3k4t h GLU 40 CO 0.01 0.79 -0.58 0.77 -2.18 0.00 0.00 179.01 177.82 3k4t h SER 41 N 0.03 0.88 0.16 1.04 0.02 -0.97 -3.07 113.55 111.63 3k4t h SER 41 Ca -0.33 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.13 3k4t h SER 41 Cb 2.02 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3k4t h SER 41 CO 0.09 1.26 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.89 3k4t h LEU 42 N 0.59 -0.18 -1.35 5.07 3.38 -1.30 -2.90 115.31 118.61 3k4t h LEU 42 Ca 0.00 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.07 3k4t h LEU 42 Cb 1.18 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 3k4t h LEU 42 CO 0.12 -0.06 0.56 -0.33 0.09 0.00 0.00 178.44 178.82 3k4t h GLU 43 N -0.29 0.61 -0.01 1.13 5.08 -1.63 0.18 114.58 119.65 3k4t h GLU 43 Ca -0.02 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 3k4t h GLU 43 Cb 0.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3k4t h GLU 43 CO 0.04 0.40 -0.93 1.15 -1.00 0.00 0.00 179.01 178.67 3k4t h THR 44 N 0.63 1.38 0.03 1.13 2.02 -1.50 -2.29 112.91 114.30 3k4t h THR 44 Ca 0.44 -2.37 -0.27 0.00 0.77 0.00 0.00 66.41 64.97 3k4t h THR 44 Cb 0.77 2.37 0.02 0.00 -1.74 0.00 0.00 68.15 69.57 3k4t h THR 44 CO -0.19 0.71 -1.08 0.58 0.37 0.00 0.00 175.52 175.91 3k4t h VAL 45 N 0.27 1.31 -0.07 3.16 2.07 -1.18 -2.61 116.25 119.20 3k4t h VAL 45 Ca -0.08 -2.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.01 3k4t h VAL 45 Cb 1.56 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.80 3k4t h VAL 45 CO 0.17 0.72 -0.30 0.00 0.02 0.00 0.00 177.57 178.18 3k4t h ALA 46 N 0.44 1.37 -0.43 1.67 0.00 -0.70 0.91 119.26 122.52 3k4t h ALA 46 Ca -0.14 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3k4t h ALA 46 Cb 1.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3k4t h ALA 46 CO 0.21 0.45 -0.22 0.00 0.00 0.00 0.00 179.25 179.69 3k4t h ALA 47 N 1.58 0.61 -0.23 0.00 0.00 -1.43 -2.20 119.26 117.59 3k4t h ALA 47 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3k4t h ALA 47 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3k4t h ALA 47 CO 0.04 0.59 -0.29 -0.22 0.00 0.00 0.00 179.25 179.37 3k4t h LYS 48 N 0.74 0.46 -0.02 0.00 1.63 -0.89 0.60 116.57 119.08 3k4t h LYS 48 Ca 0.10 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3k4t h LYS 48 Cb 0.79 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.39 3k4t h LYS 48 CO 0.06 0.70 -0.00 0.82 -3.45 0.00 0.00 179.45 177.59 3k4t h ILE 49 N 0.40 1.27 -0.09 2.00 2.04 -0.86 -2.58 117.51 119.69 3k4t h ILE 49 Ca 0.05 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 65.00 3k4t h ILE 49 Cb 0.71 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3k4t h ILE 49 CO 0.05 0.21 -0.45 -0.37 0.00 0.00 0.00 178.15 177.59 3k4t h VAL 50 N -0.30 1.33 0.13 1.67 -1.51 -1.23 -2.60 116.25 113.75 3k4t h VAL 50 Ca 0.00 -1.62 -0.01 0.00 -1.23 0.00 0.00 66.70 63.85 3k4t h VAL 50 Cb 0.34 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3k4t h VAL 50 CO 0.00 0.48 -0.06 -1.13 -1.23 0.00 0.00 177.57 175.63 3k4t h ASN 51 N 0.17 -0.15 0.60 4.19 -1.24 -0.91 -1.57 115.58 116.67 3k4t h ASN 51 Ca 0.01 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.83 3k4t h ASN 51 Cb 0.87 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.94 3k4t h ASN 51 CO 0.07 0.09 -0.49 0.44 -1.29 0.00 0.00 177.43 176.24 3k4t h ASP 52 N -0.39 -1.32 0.00 1.15 3.32 -1.38 -0.59 116.42 117.22 3k4t h ASP 52 Ca -0.02 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3k4t h ASP 52 Cb 0.31 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3k4t h ASP 52 CO 0.03 -0.69 0.07 -0.07 -1.72 0.00 0.00 179.24 176.87 3k4t h LEU 53 N -1.06 0.00 -0.06 1.55 3.38 -1.55 0.10 115.31 117.67 3k4t h LEU 53 Ca -0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 3k4t h LEU 53 Cb 0.89 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.65 3k4t h LEU 53 CO -0.00 0.00 -1.06 0.74 0.09 0.00 0.00 178.44 178.21 3k4t h THR 54 N 0.00 1.40 -0.51 0.22 2.02 -0.50 -2.56 112.91 112.97 3k4t h THR 54 Ca 0.00 -2.57 -0.10 0.00 0.77 0.00 0.00 66.41 64.51 3k4t h THR 54 Cb 0.15 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 3k4t h THR 54 CO 0.00 0.77 -0.05 0.50 0.37 0.00 0.00 175.52 177.10 3k4t h LYS 55 N 0.21 0.94 0.42 6.66 3.11 0.71 -1.98 116.57 126.64 3k4t h LYS 55 Ca -0.11 -0.33 -0.02 0.00 -2.81 0.00 0.00 60.65 57.38 3k4t h LYS 55 Cb 1.72 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.88 3k4t h LYS 55 CO 0.18 0.99 -0.20 1.25 -2.81 0.00 0.00 179.45 178.86 3k4t h LEU 56 N 0.80 -0.47 0.12 5.20 5.85 -1.34 -2.50 115.31 122.98 3k4t h LEU 56 Ca 0.14 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3k4t h LEU 56 Cb 0.60 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3k4t h LEU 56 CO 0.04 -0.23 -0.13 0.40 -0.34 0.00 0.00 178.44 178.18 3k4t h ILE 57 N -0.70 0.70 0.00 4.05 2.04 -1.48 -1.19 117.51 120.93 3k4t h ILE 57 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3k4t h ILE 57 Cb 0.50 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3k4t h ILE 57 CO 0.09 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.83 3k4t n ASN 58 N -5.25 0.00 0.12 1.72 3.02 -0.75 -0.35 115.26 113.77 3k4t n ASN 58 Ca -0.07 0.20 0.05 0.00 -0.03 0.00 0.00 54.58 54.72 3k4t n ASN 58 Cb 0.17 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3k4t n ASN 58 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3k4t h ASP 59 N 0.00 0.00 -5.73 6.41 3.32 -0.74 -3.50 116.42 116.18 3k4t h ASP 59 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3k4t h ASP 59 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3k4t h ASP 59 CO 0.00 0.34 -0.30 0.00 -1.72 0.00 0.00 179.24 177.57 3k4t h PRO 61 N 0.30 0.00 -0.01 0.00 0.11 -1.82 -2.94 132.00 127.64 3k4t h PRO 61 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3k4t h PRO 61 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3k4t h PRO 61 CO 0.32 0.22 -0.25 0.00 -0.21 0.00 0.00 178.00 178.08 3k4t h ASN 63 N 1.25 0.00 0.33 0.00 4.21 -1.88 -3.28 115.58 116.20 3k4t h ASN 63 Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 3k4t h ASN 63 Cb 0.51 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.69 3k4t h ASN 63 CO 0.00 0.58 -0.32 0.11 -1.29 0.00 0.00 177.43 176.52 3k4t h LYS 64 N 0.00 -0.64 -0.83 0.81 1.57 -1.77 0.34 116.57 116.05 3k4t h LYS 64 Ca -0.01 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.02 3k4t h LYS 64 Cb 1.04 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.37 3k4t h LYS 64 CO 0.08 -0.43 0.25 1.49 -0.57 0.00 0.00 179.45 180.26 3k4t h GLU 65 N -0.67 0.27 0.17 3.15 4.81 -1.82 -0.15 114.58 120.34 3k4t h GLU 65 Ca -0.02 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 58.94 3k4t h GLU 65 Cb 0.61 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 29.95 3k4t h GLU 65 CO -0.05 0.18 -1.10 0.82 -0.73 0.00 0.00 179.01 178.12 3k4t h ILE 66 N 0.28 1.39 -0.14 2.32 2.04 -1.41 -3.02 117.51 118.97 3k4t h ILE 66 Ca 0.50 -2.55 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 3k4t h ILE 66 Cb 0.93 3.03 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 3k4t h ILE 66 CO -0.57 0.75 -0.16 -0.07 0.00 0.00 0.00 178.15 178.10 3k4t h LEU 67 N -0.07 0.21 -0.31 1.44 3.38 -0.30 -2.46 115.31 117.20 3k4t h LEU 67 Ca -0.19 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3k4t h LEU 67 Cb 1.85 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.50 3k4t h LEU 67 CO 0.21 0.39 0.04 -0.33 0.09 0.00 0.00 178.44 178.84 3k4t h GLU 68 N 0.21 0.13 -0.10 1.13 5.08 -1.00 -1.44 114.58 118.59 3k4t h GLU 68 Ca 0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3k4t h GLU 68 Cb 0.41 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3k4t h GLU 68 CO 0.03 0.09 -0.12 0.00 -1.00 0.00 0.00 179.01 178.01 3k4t h ALA 69 N 1.25 1.62 -0.01 3.43 0.00 -1.36 -1.73 119.26 122.46 3k4t h ALA 69 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k4t h ALA 69 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3k4t h ALA 69 CO -0.22 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3k4t n LEU 70 N -4.32 0.45 -1.94 0.00 4.77 -0.85 -4.94 117.00 110.16 3k4t n LEU 70 Ca -0.01 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 3k4t n LEU 70 Cb 0.24 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3k4t n LEU 70 CO 0.37 0.08 -0.03 0.61 -1.33 0.00 0.00 177.39 177.09 3k4t n GLY 71 N 1.03 -0.10 3.03 -0.72 0.00 -0.65 -5.02 105.19 102.76 3k4t n GLY 71 Ca 0.22 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3k4t n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4t s THR 72 N -2.90 0.90 0.20 2.61 -4.23 -0.64 -5.05 115.64 106.54 3k4t s THR 72 Ca 0.16 -0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 59.94 3k4t s THR 72 Cb -0.07 -0.78 -0.08 0.00 1.34 0.00 0.00 72.50 72.90 3k4t s THR 72 CO 0.20 0.27 1.24 -1.10 -0.54 0.00 0.00 174.62 174.69 3k4t s GLN 73 N 0.06 4.45 0.00 3.99 -1.52 -1.26 -4.00 119.66 121.38 3k4t s GLN 73 Ca -0.01 1.95 0.26 0.00 -1.95 0.00 0.00 55.36 55.62 3k4t s GLN 73 Cb -0.08 -3.21 0.73 0.00 -0.22 0.00 0.00 33.01 30.22 3k4t s GLN 73 CO 0.00 -0.14 1.56 -2.30 -0.25 0.00 0.00 175.29 174.17