#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkd n ASP 5 N 0.00 -1.75 0.00 0.00 5.75 -1.26 -5.12 116.55 114.17 3hkd n ASP 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3hkd n ASP 5 Cb 0.00 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 3hkd n ASP 5 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3hkd n MET 6 N 0.11 0.59 -1.05 0.11 0.00 -1.26 -5.15 117.12 110.46 3hkd n MET 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3hkd n MET 6 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 33.22 32.64 3hkd n MET 6 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3hkd n GLU 7 N -0.86 -2.95 -4.11 3.17 2.13 -1.26 -4.84 120.64 111.91 3hkd n GLU 7 Ca 0.00 2.15 -0.31 0.00 0.66 0.00 0.00 57.16 59.66 3hkd n GLU 7 Cb 0.08 -2.38 -0.07 0.00 0.27 0.00 0.00 31.44 29.34 3hkd n GLU 7 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hkd s VAL 8 N -1.92 4.22 -0.34 6.31 0.11 -1.26 -4.26 120.40 123.26 3hkd s VAL 8 Ca 0.00 -0.86 -0.10 0.00 -2.93 0.00 0.00 61.98 58.09 3hkd s VAL 8 Cb 0.00 -3.01 0.02 0.00 -1.53 0.00 0.00 36.38 31.86 3hkd s VAL 8 CO 0.00 0.15 0.17 -0.63 -3.33 0.00 0.00 175.10 171.46 3hkd s ILE 9 N -1.31 4.49 -0.42 7.04 1.01 -0.86 -4.99 121.20 126.15 3hkd s ILE 9 Ca 0.26 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3hkd s ILE 9 Cb -0.12 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3hkd s ILE 9 CO 0.19 -0.11 1.56 -0.70 0.00 0.00 0.00 174.94 175.88 3hkd s GLU 10 N 1.56 3.39 -0.86 2.79 2.56 -1.26 -1.01 118.70 125.88 3hkd s GLU 10 Ca 0.03 0.98 0.01 0.00 0.00 0.00 0.00 54.97 55.99 3hkd s GLU 10 Cb -0.18 -4.12 0.29 0.00 2.00 0.00 0.00 34.13 32.12 3hkd s GLU 10 CO 0.06 -1.79 1.15 1.28 -0.56 0.00 0.00 175.26 175.40 3hkd n LEU 11 N 9.65 5.21 0.00 2.70 4.77 -0.98 -4.96 117.00 133.39 3hkd n LEU 11 Ca 0.18 -5.35 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 3hkd n LEU 11 Cb 0.48 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3hkd n LEU 11 CO 0.70 1.91 0.00 -3.20 -1.33 0.00 0.00 177.39 175.47 3hkd n ASN 12 N 0.96 -0.00 -3.69 -1.43 4.05 -1.25 -4.20 115.26 109.69 3hkd n ASN 12 Ca 0.29 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 55.19 3hkd n ASN 12 Cb 0.37 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.24 3hkd n ASN 12 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3hkd s LYS 13 N -4.12 0.17 0.00 1.20 1.02 -1.26 -1.91 119.74 114.83 3hkd s LYS 13 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.64 3hkd s LYS 13 Cb 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 3hkd s LYS 13 CO 0.00 -0.23 0.00 0.00 -0.92 0.00 0.00 175.35 174.20 3hkd h THR 15 N 0.73 0.20 -0.78 0.00 1.03 -2.05 -3.22 112.91 108.81 3hkd h THR 15 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.84 3hkd h THR 15 Cb 0.00 0.20 -0.43 0.00 -1.07 0.00 0.00 68.15 66.85 3hkd h THR 15 CO 0.00 0.00 -0.76 -0.24 -0.01 0.00 0.00 175.52 174.51 3hkd n SER 16 N -5.42 5.02 0.00 0.00 2.88 -1.26 -5.06 113.62 109.78 3hkd n SER 16 Ca -0.01 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.78 3hkd n SER 16 Cb 0.34 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 3hkd n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hkd n GLY 17 N -0.71 -0.92 3.65 0.46 0.00 -1.22 -5.16 105.19 101.29 3hkd n GLY 17 Ca 0.44 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 3hkd n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hkd s GLN 18 N -0.58 0.13 0.20 1.61 0.74 -1.26 -3.53 119.66 116.97 3hkd s GLN 18 Ca 0.00 0.20 0.11 0.00 0.05 0.00 0.00 55.36 55.72 3hkd s GLN 18 Cb 0.00 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 3hkd s GLN 18 CO 0.00 -0.02 -0.23 -1.12 -0.55 0.00 0.00 175.29 173.37 3hkd s SER 19 N 0.70 3.32 -0.29 6.67 0.01 -0.80 -5.02 113.70 118.29 3hkd s SER 19 Ca -0.02 -0.88 -0.18 0.00 1.31 0.00 0.00 55.95 56.18 3hkd s SER 19 Cb -0.03 -0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.08 3hkd s SER 19 CO -0.12 0.09 0.92 0.72 0.41 0.00 0.00 173.24 175.25 3hkd s PHE 20 N -1.82 -0.67 0.78 2.43 -0.12 -1.26 -2.32 117.98 115.00 3hkd s PHE 20 Ca 0.21 1.38 -0.11 0.00 -0.05 0.00 0.00 56.93 58.36 3hkd s PHE 20 Cb -0.07 0.41 0.06 0.00 -0.63 0.00 0.00 43.02 42.79 3hkd s PHE 20 CO 0.10 -0.33 1.09 -2.00 -0.05 0.00 0.00 175.22 174.03 3hkd s GLU 21 N 1.19 2.20 -0.33 1.99 2.12 -0.18 -4.88 118.70 120.82 3hkd s GLU 21 Ca -0.07 0.76 0.17 0.00 0.36 0.00 0.00 54.97 56.19 3hkd s GLU 21 Cb -0.04 -1.92 0.45 0.00 0.26 0.00 0.00 34.13 32.88 3hkd s GLU 21 CO -0.14 -1.57 1.04 1.55 -0.54 0.00 0.00 175.26 175.60 3hkd n VAL 22 N -3.42 0.84 -1.52 3.70 3.14 -1.26 -2.03 118.33 117.78 3hkd n VAL 22 Ca 0.07 -2.75 -0.53 0.00 -2.96 0.00 0.00 64.34 58.17 3hkd n VAL 22 Cb 0.55 0.79 -0.06 0.00 -1.06 0.00 0.00 33.84 34.06 3hkd n VAL 22 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3hkd n ILE 23 N -0.23 0.55 -0.02 1.55 5.41 -1.26 -4.92 119.36 120.43 3hkd n ILE 23 Ca 0.06 -0.14 -0.04 0.00 1.00 0.00 0.00 62.75 63.63 3hkd n ILE 23 Cb 0.82 -0.39 -0.01 0.00 -0.71 0.00 0.00 39.64 39.35 3hkd n ILE 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3hkd n LEU 24 N 1.90 1.38 -3.72 1.39 -0.00 -1.26 -4.73 117.00 111.96 3hkd n LEU 24 Ca 0.18 0.21 -0.30 0.00 -0.00 0.00 0.00 56.01 56.11 3hkd n LEU 24 Cb 0.17 -0.52 -0.14 0.00 -0.00 0.00 0.00 43.42 42.93 3hkd n LEU 24 CO 0.60 -0.49 -0.29 -0.54 -0.00 0.00 0.00 177.39 176.67 3hkd s LYS 25 N -2.32 1.02 0.08 1.96 -0.14 -1.26 -4.98 119.74 114.11 3hkd s LYS 25 Ca -0.14 -1.59 -0.07 0.00 -1.36 0.00 0.00 55.97 52.81 3hkd s LYS 25 Cb 0.02 -2.18 -0.05 0.00 -1.68 0.00 0.00 37.83 33.95 3hkd s LYS 25 CO 0.21 -1.08 0.09 -2.30 -0.76 0.00 0.00 175.35 171.50 3hkd n PRO 26 N 4.13 0.00 -0.31 -1.68 -0.02 -1.26 -4.79 135.00 131.06 3hkd n PRO 26 Ca 0.04 0.00 0.21 0.00 -2.02 0.00 0.00 63.50 61.73 3hkd n PRO 26 Cb 0.38 -0.28 0.49 0.00 -0.02 0.00 0.00 33.50 34.07 3hkd n PRO 26 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hkd h PRO 27 N 0.19 0.43 -4.93 0.52 0.13 -2.03 -3.48 132.00 122.83 3hkd h PRO 27 Ca -0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3hkd h PRO 27 Cb 0.40 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.39 3hkd h PRO 27 CO 0.15 0.28 -0.88 -1.13 -0.23 0.00 0.00 178.00 176.19 3hkd n SER 28 N -4.62 -4.63 -4.71 1.44 3.41 -1.26 -4.96 113.62 98.29 3hkd n SER 28 Ca 0.24 1.42 -0.32 0.00 -0.26 0.00 0.00 58.87 59.95 3hkd n SER 28 Cb 0.80 -4.06 0.12 0.00 -0.26 0.00 0.00 64.21 60.81 3hkd n SER 28 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hkd s PHE 29 N -0.43 1.98 0.00 7.33 -0.71 -1.26 -5.32 117.98 119.57 3hkd s PHE 29 Ca -0.10 1.67 0.00 0.00 -1.04 0.00 0.00 56.93 57.46 3hkd s PHE 29 Cb 0.01 -3.34 0.00 0.00 -1.21 0.00 0.00 43.02 38.47 3hkd s PHE 29 CO 0.27 -2.53 0.00 -0.25 -1.34 0.00 0.00 175.22 171.36 3hkd n ASP 30 N -3.44 0.00 0.00 1.98 10.43 -1.26 -5.33 116.55 118.93 3hkd n ASP 30 Ca 0.12 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.48 3hkd n ASP 30 Cb 0.51 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.47 3hkd n ASP 30 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3hkd n PRO 45 N 0.00 0.00 0.00 -0.24 -0.02 -1.26 -5.37 135.00 128.12 3hkd n PRO 45 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hkd n PRO 45 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hkd n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hkd n SER 46 N 0.00 0.00 -1.14 2.55 2.88 -1.26 -4.91 113.62 111.74 3hkd n SER 46 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hkd n SER 46 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3hkd n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkd n LEU 47 N -3.79 -4.33 0.07 2.46 -0.00 -1.26 -4.99 117.00 105.15 3hkd n LEU 47 Ca 0.00 1.77 -0.23 0.00 -0.00 0.00 0.00 56.01 57.55 3hkd n LEU 47 Cb 0.00 -1.61 -0.15 0.00 -0.00 0.00 0.00 43.42 41.67 3hkd n LEU 47 CO 0.00 -0.59 -0.34 -0.08 -0.00 0.00 0.00 177.39 176.38 3hkd h GLU 48 N 1.92 0.38 0.00 1.47 4.57 -2.09 -3.39 114.58 117.44 3hkd h GLU 48 Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 3hkd h GLU 48 Cb 0.00 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3hkd h GLU 48 CO 0.00 1.31 0.45 -1.91 -1.18 0.00 0.00 179.01 177.68 3hkd n GLU 49 N -3.80 0.01 -2.63 1.92 4.07 -1.26 -3.74 120.64 115.21 3hkd n GLU 49 Ca -0.21 0.28 -0.43 0.00 -0.06 0.00 0.00 57.16 56.74 3hkd n GLU 49 Cb 1.00 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.98 3hkd n GLU 49 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3hkd n ILE 50 N -1.15 4.49 0.00 6.31 -0.00 -1.26 -3.70 119.36 124.06 3hkd n ILE 50 Ca 0.00 -4.76 0.00 0.00 -0.00 0.00 0.00 62.75 57.99 3hkd n ILE 50 Cb 0.45 -2.35 0.00 0.00 -0.00 0.00 0.00 39.64 37.74 3hkd n ILE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hkd n GLN 51 N 3.80 3.29 0.00 0.38 3.00 -1.25 -4.54 117.38 122.06 3hkd n GLN 51 Ca 0.36 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.49 3hkd n GLN 51 Cb 0.37 -0.36 0.61 0.00 0.00 0.00 0.00 30.24 30.87 3hkd n GLN 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3hkd n LYS 52 N -0.21 1.35 0.03 -1.09 5.02 -1.24 -3.33 118.16 118.69 3hkd n LYS 52 Ca 0.00 -0.64 -0.15 0.00 -2.02 0.00 0.00 58.31 55.50 3hkd n LYS 52 Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.38 3hkd n LYS 52 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hkd h LYS 53 N 1.56 0.16 0.00 1.97 3.11 -1.81 -3.19 116.57 118.38 3hkd h LYS 53 Ca 0.00 -0.28 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 3hkd h LYS 53 Cb 0.38 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 3hkd h LYS 53 CO 0.00 0.94 0.00 1.25 -2.81 0.00 0.00 179.45 178.83 3hkd h LEU 54 N 0.04 0.00 -3.23 5.20 5.85 -1.83 -2.75 115.31 118.60 3hkd h LEU 54 Ca -0.28 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 3hkd h LEU 54 Cb 2.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.99 3hkd h LEU 54 CO 0.12 0.00 -0.10 -1.84 -0.34 0.00 0.00 178.44 176.28 3hkd n GLU 55 N -2.51 2.00 -0.09 1.25 0.28 -1.23 -3.75 120.64 116.59 3hkd n GLU 55 Ca 0.04 -3.02 -0.11 0.00 -0.16 0.00 0.00 57.16 53.91 3hkd n GLU 55 Cb 0.40 -1.75 -0.12 0.00 1.43 0.00 0.00 31.44 31.39 3hkd n GLU 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hkd n ALA 56 N -1.01 1.55 -0.07 -1.84 0.00 -1.10 -3.94 120.51 114.11 3hkd n ALA 56 Ca 0.26 -1.07 0.04 0.00 0.00 0.00 0.00 53.44 52.66 3hkd n ALA 56 Cb 0.89 -0.08 0.39 0.00 0.00 0.00 0.00 19.45 20.65 3hkd n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkd h ALA 57 N 0.54 1.68 0.00 0.00 0.00 -1.64 -0.12 119.26 119.72 3hkd h ALA 57 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hkd h ALA 57 Cb 1.96 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3hkd h ALA 57 CO -0.01 0.28 -0.15 1.49 0.00 0.00 0.00 179.25 180.85 3hkd h GLU 58 N 0.66 0.00 -0.81 0.00 4.81 -1.77 -3.13 114.58 114.34 3hkd h GLU 58 Ca 0.20 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3hkd h GLU 58 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3hkd h GLU 58 CO -0.05 0.00 0.40 1.49 -0.73 0.00 0.00 179.01 180.12 3hkd h GLU 59 N 0.00 1.16 0.00 1.92 4.57 -1.14 -2.61 114.58 118.49 3hkd h GLU 59 Ca 0.00 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 57.86 3hkd h GLU 59 Cb 0.84 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 3hkd h GLU 59 CO 0.00 0.89 -1.55 0.54 -1.18 0.00 0.00 179.01 177.71 3hkd n ARG 60 N -4.36 0.63 0.15 1.92 1.74 -1.13 -3.00 116.66 112.61 3hkd n ARG 60 Ca 0.08 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.16 3hkd n ARG 60 Cb 0.13 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 29.75 3hkd n ARG 60 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hkd h ARG 61 N 0.00 -0.35 -0.01 5.56 2.43 -1.59 -1.81 114.38 118.60 3hkd h ARG 61 Ca -0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3hkd h ARG 61 Cb 1.53 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 3hkd h ARG 61 CO 0.03 -0.06 0.02 0.87 -1.51 0.00 0.00 179.97 179.32 3hkd h LYS 62 N -0.65 0.00 0.01 0.20 6.56 -1.58 -1.27 116.57 119.84 3hkd h LYS 62 Ca -0.04 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.50 3hkd h LYS 62 Cb 0.46 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.12 3hkd h LYS 62 CO 0.06 0.00 -0.23 -0.92 -2.06 0.00 0.00 179.45 176.30 3hkd h TYR 63 N 0.00 0.21 0.51 -1.35 3.20 -1.44 -3.05 116.97 115.05 3hkd h TYR 63 Ca 0.01 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 3hkd h TYR 63 Cb 0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3hkd h TYR 63 CO 0.00 0.95 -0.27 0.37 -1.64 0.00 0.00 178.16 177.57 3hkd h GLN 64 N -0.59 -0.69 -0.95 1.82 4.15 -0.37 -2.42 115.11 116.06 3hkd h GLN 64 Ca -0.03 0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.53 3hkd h GLN 64 Cb 1.02 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.80 3hkd h GLN 64 CO 0.04 -0.46 0.61 1.05 -1.93 0.00 0.00 178.83 178.14 3hkd h GLU 65 N -0.72 0.98 -0.94 1.69 9.09 -1.54 0.25 114.58 123.38 3hkd h GLU 65 Ca -0.07 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.28 3hkd h GLU 65 Cb 0.56 -0.22 -0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3hkd h GLU 65 CO 0.09 0.65 0.01 0.00 0.05 0.00 0.00 179.01 179.80 3hkd n ALA 66 N -2.38 2.72 -0.02 1.06 0.00 -1.15 -3.02 120.51 117.72 3hkd n ALA 66 Ca 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 3hkd n ALA 66 Cb 0.28 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3hkd n ALA 66 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hkd n GLU 67 N 0.10 0.11 0.00 0.00 4.07 0.77 -4.06 120.64 121.64 3hkd n GLU 67 Ca 0.04 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 3hkd n GLU 67 Cb 0.40 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 3hkd n GLU 67 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3hkd n LEU 68 N -2.65 2.79 0.03 4.31 4.32 -0.63 -0.47 117.00 124.70 3hkd n LEU 68 Ca -0.08 -1.40 0.00 0.00 -0.02 0.00 0.00 56.01 54.51 3hkd n LEU 68 Cb 0.59 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3hkd n LEU 68 CO 0.04 0.47 -0.23 -0.11 -1.22 0.00 0.00 177.39 176.34 3hkd n LEU 69 N 0.52 0.44 0.00 2.23 7.94 -1.17 -4.37 117.00 122.60 3hkd n LEU 69 Ca 0.00 0.09 0.06 0.00 -1.11 0.00 0.00 56.01 55.05 3hkd n LEU 69 Cb 0.47 -0.11 0.34 0.00 0.53 0.00 0.00 43.42 44.64 3hkd n LEU 69 CO 0.00 -0.40 0.56 1.17 -1.11 0.00 0.00 177.39 177.61 3hkd n LYS 70 N -3.20 0.52 0.00 1.96 0.00 -1.10 0.24 118.16 116.58 3hkd n LYS 70 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.36 3hkd n LYS 70 Cb 0.23 -1.34 -0.01 0.00 0.00 0.00 0.00 35.03 33.91 3hkd n LYS 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3hkd n HIS 71 N -0.84 0.00 -0.04 5.64 -0.00 0.38 -4.53 115.22 115.83 3hkd n HIS 71 Ca 0.08 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.21 3hkd n HIS 71 Cb 0.04 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.87 3hkd n HIS 71 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 3hkd n LEU 72 N -0.36 2.88 -0.30 0.27 7.94 0.95 -3.50 117.00 124.88 3hkd n LEU 72 Ca 0.04 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hkd n LEU 72 Cb 0.21 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.87 3hkd n LEU 72 CO 0.14 0.62 0.16 0.00 -1.11 0.00 0.00 177.39 177.19 3hkd n ALA 73 N -2.77 1.79 -0.00 1.96 0.00 0.67 -2.85 120.51 119.30 3hkd n ALA 73 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 3hkd n ALA 73 Cb 0.65 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 3hkd n ALA 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hkd n GLU 74 N -0.03 0.04 0.00 0.00 2.13 -1.26 -4.21 120.64 117.32 3hkd n GLU 74 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 3hkd n GLU 74 Cb 0.07 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.36 3hkd n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hkd n LYS 75 N -2.71 0.00 0.00 5.31 5.02 -1.20 -2.60 118.16 121.98 3hkd n LYS 75 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3hkd n LYS 75 Cb 0.04 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hkd n LYS 75 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hkd n ARG 76 N -0.61 0.00 -0.26 1.97 3.00 -1.13 -3.94 116.66 115.69 3hkd n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hkd n ARG 76 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 32.46 32.27 3hkd n ARG 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3hkd n GLU 77 N -1.11 0.80 -0.11 5.56 1.02 -1.07 0.13 120.64 125.86 3hkd n GLU 77 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 3hkd n GLU 77 Cb 0.00 -1.10 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 3hkd n GLU 77 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hkd n HIS 78 N 1.24 0.00 -0.27 -0.32 -0.00 -1.13 -4.46 115.22 110.28 3hkd n HIS 78 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 3hkd n HIS 78 Cb 0.40 -0.82 0.23 0.00 -0.12 0.00 0.00 29.99 29.68 3hkd n HIS 78 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 3hkd h GLU 79 N -0.02 0.32 -0.87 1.57 4.81 0.98 0.20 114.58 121.57 3hkd h GLU 79 Ca -0.48 -0.02 0.23 0.00 -0.13 0.00 0.00 59.36 58.96 3hkd h GLU 79 Cb 1.73 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.90 3hkd h GLU 79 CO -0.08 0.21 0.23 -0.09 -0.73 0.00 0.00 179.01 178.55 3hkd h ARG 80 N 0.33 0.21 0.00 1.92 1.12 -1.72 -1.70 114.38 114.54 3hkd h ARG 80 Ca 0.48 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.33 3hkd h ARG 80 Cb 0.85 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 3hkd h ARG 80 CO -0.52 0.14 0.00 0.39 -3.11 0.00 0.00 179.97 176.87 3hkd n GLU 81 N -5.22 0.00 0.00 0.20 4.71 0.66 -2.76 120.64 118.23 3hkd n GLU 81 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 3hkd n GLU 81 Cb 0.66 -0.45 0.00 0.00 -1.01 0.00 0.00 31.44 30.64 3hkd n GLU 81 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 3hkd n VAL 82 N 0.00 0.00 -0.37 2.62 0.24 -1.03 0.20 118.33 119.98 3hkd n VAL 82 Ca 0.00 0.00 0.30 0.00 -2.04 0.00 0.00 64.34 62.60 3hkd n VAL 82 Cb 0.00 0.00 0.60 0.00 -1.47 0.00 0.00 33.84 32.97 3hkd n VAL 82 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 3hkd h ILE 83 N 0.00 0.37 0.00 1.34 3.07 -1.39 -2.36 117.51 118.54 3hkd h ILE 83 Ca 0.00 -0.08 -0.08 0.00 1.55 0.00 0.00 64.86 66.26 3hkd h ILE 83 Cb 0.00 0.13 -0.01 0.00 -0.27 0.00 0.00 36.82 36.66 3hkd h ILE 83 CO 0.00 0.04 -1.29 0.00 -1.05 0.00 0.00 178.15 175.85 3hkd n GLN 84 N -4.55 0.46 0.00 0.16 -0.00 0.52 -3.96 117.38 110.01 3hkd n GLN 84 Ca 0.29 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.32 3hkd n GLN 84 Cb 1.14 -1.10 0.00 0.00 -0.00 0.00 0.00 30.24 30.27 3hkd n GLN 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3hkd n LYS 85 N -2.60 0.00 -0.06 2.61 4.76 0.35 0.23 118.16 123.46 3hkd n LYS 85 Ca -0.09 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.29 3hkd n LYS 85 Cb 0.60 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 3hkd n LYS 85 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hkd n ALA 86 N -0.77 0.96 -0.35 7.82 0.00 -0.90 -4.01 120.51 123.26 3hkd n ALA 86 Ca 0.00 -0.62 0.12 0.00 0.00 0.00 0.00 53.44 52.94 3hkd n ALA 86 Cb 0.00 0.04 0.32 0.00 0.00 0.00 0.00 19.45 19.81 3hkd n ALA 86 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hkd h ILE 87 N -0.70 0.75 0.00 0.00 2.10 -0.62 0.38 117.51 119.41 3hkd h ILE 87 Ca 0.00 -0.27 -0.05 0.00 1.08 0.00 0.00 64.86 65.62 3hkd h ILE 87 Cb 0.70 -0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 36.32 3hkd h ILE 87 CO 0.00 0.14 -0.22 -0.33 -1.08 0.00 0.00 178.15 176.66 3hkd h GLU 88 N 0.78 0.00 -0.01 2.19 5.08 0.27 -0.31 114.58 122.59 3hkd h GLU 88 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 3hkd h GLU 88 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hkd h GLU 88 CO -0.34 0.22 -0.29 -0.85 -1.00 0.00 0.00 179.01 176.75 3hkd n GLU 89 N -4.27 0.60 -0.07 2.33 0.28 0.10 -3.66 120.64 115.96 3hkd n GLU 89 Ca -0.02 -0.33 -0.05 0.00 -0.16 0.00 0.00 57.16 56.60 3hkd n GLU 89 Cb 0.28 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.64 3hkd n GLU 89 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3hkd n ASN 90 N -0.91 1.70 0.17 -1.84 5.15 0.62 -4.00 115.26 116.14 3hkd n ASN 90 Ca 0.11 0.59 0.11 0.00 -0.60 0.00 0.00 54.58 54.78 3hkd n ASN 90 Cb 0.34 -0.84 0.56 0.00 -0.53 0.00 0.00 39.78 39.31 3hkd n ASN 90 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3hkd h ASN 91 N -0.93 0.00 0.00 1.20 -1.07 -1.66 0.68 115.58 113.79 3hkd h ASN 91 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3hkd h ASN 91 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 3hkd h ASN 91 CO 0.00 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.09 3hkd n ASN 92 N -2.25 0.00 0.00 6.14 3.02 -1.24 -1.87 115.26 119.07 3hkd n ASN 92 Ca -0.01 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3hkd n ASN 92 Cb 0.10 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3hkd n ASN 92 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3hkd n PHE 93 N -0.55 0.00 -0.08 3.10 7.35 0.23 -4.43 117.46 123.09 3hkd n PHE 93 Ca 0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.64 3hkd n PHE 93 Cb 0.01 0.01 -0.00 0.00 0.35 0.00 0.00 39.48 39.84 3hkd n PHE 93 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3hkd h ILE 94 N 0.00 0.52 -0.54 -2.13 5.03 -1.43 0.29 117.51 119.25 3hkd h ILE 94 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 64.41 3hkd h ILE 94 Cb 0.97 0.52 -0.16 0.00 -3.03 0.00 0.00 36.82 35.11 3hkd h ILE 94 CO 0.00 0.00 0.43 0.29 -0.68 0.00 0.00 178.15 178.19 3hkd n LYS 95 N -5.33 1.81 0.00 2.37 4.01 -0.78 -0.80 118.16 119.44 3hkd n LYS 95 Ca 0.00 -1.71 0.00 0.00 -0.51 0.00 0.00 58.31 56.09 3hkd n LYS 95 Cb 0.25 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 3hkd n LYS 95 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 3hkd n MET 96 N -0.04 1.28 -0.48 1.97 0.00 -0.17 -4.81 117.12 114.86 3hkd n MET 96 Ca 0.33 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 58.14 3hkd n MET 96 Cb 0.81 -0.96 0.34 0.00 0.00 0.00 0.00 33.22 33.41 3hkd n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkd n ALA 97 N -2.22 2.70 0.10 -5.12 0.00 0.85 -2.82 120.51 113.99 3hkd n ALA 97 Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 53.44 52.15 3hkd n ALA 97 Cb 0.46 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 3hkd n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hkd n LYS 98 N 1.43 0.61 -0.04 0.00 4.81 0.02 -3.93 118.16 121.05 3hkd n LYS 98 Ca 0.25 0.07 -0.02 0.00 -0.87 0.00 0.00 58.31 57.74 3hkd n LYS 98 Cb 0.74 -1.78 -0.08 0.00 0.02 0.00 0.00 35.03 33.93 3hkd n LYS 98 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3hkd n GLU 99 N -2.60 1.89 0.00 1.64 0.00 -1.25 -3.32 120.64 116.99 3hkd n GLU 99 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.13 3hkd n GLU 99 Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.74 3hkd n GLU 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hkd n LYS 100 N -2.23 0.00 0.00 3.44 5.02 -1.13 -2.61 118.16 120.65 3hkd n LYS 100 Ca -0.12 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3hkd n LYS 100 Cb 0.68 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3hkd n LYS 100 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hkd n LEU 101 N -1.19 0.00 -0.38 -0.35 7.94 -1.25 -4.43 117.00 117.33 3hkd n LEU 101 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hkd n LEU 101 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 3hkd n LEU 101 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3hkd n ALA 102 N -3.00 0.98 -0.31 1.96 0.00 -1.21 0.22 120.51 119.15 3hkd n ALA 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkd n ALA 102 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3hkd n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkd n GLN 103 N 0.23 1.13 0.14 0.00 -0.00 -1.07 -3.66 117.38 114.14 3hkd n GLN 103 Ca 0.00 -0.08 0.12 0.00 -0.00 0.00 0.00 57.00 57.03 3hkd n GLN 103 Cb 0.00 -0.41 0.05 0.00 -0.00 0.00 0.00 30.24 29.88 3hkd n GLN 103 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 3hkd h LYS 104 N 0.00 0.00 0.00 2.61 3.64 0.26 -3.34 116.57 119.74 3hkd h LYS 104 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3hkd h LYS 104 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3hkd h LYS 104 CO 0.00 0.00 -1.83 -0.12 -2.27 0.00 0.00 179.45 175.23 3hkd n MET 105 N -2.79 0.64 0.00 1.90 1.56 0.09 -3.32 117.12 115.19 3hkd n MET 105 Ca 0.01 -0.14 0.12 0.00 -0.27 0.00 0.00 57.70 57.43 3hkd n MET 105 Cb 0.54 -1.41 0.27 0.00 2.15 0.00 0.00 33.22 34.78 3hkd n MET 105 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3hkd n GLU 106 N -2.16 0.34 0.09 2.12 0.00 -1.24 -2.68 120.64 117.10 3hkd n GLU 106 Ca -0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 57.16 56.84 3hkd n GLU 106 Cb 0.53 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.56 3hkd n GLU 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3hkd h SER 107 N 0.50 0.24 0.37 4.31 0.87 -1.68 -3.10 113.55 115.06 3hkd h SER 107 Ca 0.00 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 3hkd h SER 107 Cb 0.51 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3hkd h SER 107 CO 0.00 0.84 -0.18 -1.13 -0.53 0.00 0.00 176.83 175.84 3hkd h ASN 108 N 0.14 -0.42 -0.68 6.23 -0.73 -1.53 -1.80 115.58 116.79 3hkd h ASN 108 Ca -0.02 -0.14 0.15 0.00 1.87 0.00 0.00 56.30 58.16 3hkd h ASN 108 Cb 1.21 0.11 -0.12 0.00 0.27 0.00 0.00 38.32 39.79 3hkd h ASN 108 CO 0.10 -0.03 -0.08 0.50 -0.37 0.00 0.00 177.43 177.56 3hkd h LYS 109 N -0.89 0.05 -0.28 6.67 3.11 -1.62 -0.53 116.57 123.09 3hkd h LYS 109 Ca -0.05 -0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.66 3hkd h LYS 109 Cb 0.54 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 3hkd h LYS 109 CO 0.08 0.04 -0.36 0.93 -2.81 0.00 0.00 179.45 177.33 3hkd h GLU 110 N 0.05 0.62 0.00 1.90 5.08 -1.62 -2.87 114.58 117.74 3hkd h GLU 110 Ca 0.35 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hkd h GLU 110 Cb 0.57 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hkd h GLU 110 CO -0.65 0.89 0.00 0.09 -1.00 0.00 0.00 179.01 178.34 3hkd n ASN 111 N -4.05 0.00 0.12 1.42 5.03 -0.31 -3.58 115.26 113.88 3hkd n ASN 111 Ca -0.01 0.92 -0.10 0.00 0.87 0.00 0.00 54.58 56.26 3hkd n ASN 111 Cb 0.50 -0.42 -0.06 0.00 -1.02 0.00 0.00 39.78 38.77 3hkd n ASN 111 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 3hkd h ARG 112 N 0.00 -0.50 -1.56 3.52 2.43 -1.42 -3.24 114.38 113.61 3hkd h ARG 112 Ca 0.00 0.03 0.45 0.00 -0.81 0.00 0.00 59.98 59.66 3hkd h ARG 112 Cb 0.00 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 3hkd h ARG 112 CO 0.00 -0.33 1.17 0.39 -1.51 0.00 0.00 179.97 179.69 3hkd n GLU 113 N -4.22 0.00 -0.51 0.20 1.02 -1.08 0.46 120.64 116.51 3hkd n GLU 113 Ca -0.06 0.89 0.09 0.00 -0.02 0.00 0.00 57.16 58.06 3hkd n GLU 113 Cb 0.26 -2.08 0.31 0.00 -0.02 0.00 0.00 31.44 29.91 3hkd n GLU 113 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkd n ALA 114 N -2.69 2.87 0.93 0.62 0.00 -1.23 -2.73 120.51 118.30 3hkd n ALA 114 Ca 0.35 -1.60 0.10 0.00 0.00 0.00 0.00 53.44 52.30 3hkd n ALA 114 Cb 1.64 -0.87 0.01 0.00 0.00 0.00 0.00 19.45 20.23 3hkd n ALA 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hkd n HIS 115 N 0.85 0.00 -0.04 0.00 8.25 1.62 -2.68 115.22 123.22 3hkd n HIS 115 Ca 0.23 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.68 3hkd n HIS 115 Cb 0.80 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.90 3hkd n HIS 115 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hkd h LEU 116 N 2.70 0.00 -0.75 2.41 3.38 -1.48 -3.20 115.31 118.37 3hkd h LEU 116 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3hkd h LEU 116 Cb 0.75 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3hkd h LEU 116 CO 0.00 0.41 -0.32 0.00 0.09 0.00 0.00 178.44 178.62 3hkd h ALA 117 N -1.27 0.14 -0.05 1.53 0.00 -1.70 0.72 119.26 118.63 3hkd h ALA 117 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hkd h ALA 117 Cb 0.09 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hkd h ALA 117 CO 0.00 -0.60 0.14 0.00 0.00 0.00 0.00 179.25 178.79 3hkd h ALA 118 N 1.29 1.33 0.06 0.00 0.00 -1.69 0.46 119.26 120.71 3hkd h ALA 118 Ca 0.30 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3hkd h ALA 118 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hkd h ALA 118 CO -0.80 -0.16 -0.56 1.98 0.00 0.00 0.00 179.25 179.71 3hkd h MET 119 N 0.00 0.12 -0.05 0.00 1.85 0.20 -3.40 114.93 113.65 3hkd h MET 119 Ca 0.02 -0.21 -0.05 0.00 -0.61 0.00 0.00 59.70 58.85 3hkd h MET 119 Cb 0.30 0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.41 3hkd h MET 119 CO -0.00 1.10 -0.17 -0.07 -0.40 0.00 0.00 176.91 177.38 3hkd h LEU 120 N -0.72 0.24 0.00 3.39 3.38 0.17 -3.29 115.31 118.48 3hkd h LEU 120 Ca -0.12 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3hkd h LEU 120 Cb 1.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hkd h LEU 120 CO 0.03 0.81 0.00 1.21 0.09 0.00 0.00 178.44 180.58 3hkd n GLU 121 N -4.59 0.07 0.05 1.13 2.13 0.14 0.14 120.64 119.72 3hkd n GLU 121 Ca -0.08 0.26 0.12 0.00 0.66 0.00 0.00 57.16 58.12 3hkd n GLU 121 Cb 0.40 -1.50 0.21 0.00 0.27 0.00 0.00 31.44 30.82 3hkd n GLU 121 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3hkd n ARG 122 N -1.38 0.24 -0.06 5.31 0.63 -1.24 -4.25 116.66 115.91 3hkd n ARG 122 Ca 0.03 0.08 -0.08 0.00 -0.92 0.00 0.00 57.85 56.96 3hkd n ARG 122 Cb 0.09 -1.66 -0.07 0.00 0.45 0.00 0.00 32.46 31.26 3hkd n ARG 122 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3hkd h LEU 123 N 0.00 0.00 0.00 6.15 3.38 0.11 -2.70 115.31 122.25 3hkd h LEU 123 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3hkd h LEU 123 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3hkd h LEU 123 CO 0.00 0.81 0.14 0.00 0.09 0.00 0.00 178.44 179.48 3hkd n GLN 124 N -4.67 0.00 0.00 1.13 6.02 -1.05 0.51 117.38 119.31 3hkd n GLN 124 Ca -0.07 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3hkd n GLN 124 Cb 0.29 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3hkd n GLN 124 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hkd n GLU 125 N -0.95 1.97 -0.17 -1.09 2.13 -1.22 -0.60 120.64 120.71 3hkd n GLU 125 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3hkd n GLU 125 Cb 0.14 -0.83 0.20 0.00 0.27 0.00 0.00 31.44 31.22 3hkd n GLU 125 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hkd n LYS 126 N -1.24 2.43 -0.07 5.31 4.81 -0.24 -3.97 118.16 125.20 3hkd n LYS 126 Ca 0.00 -2.22 -0.07 0.00 -0.87 0.00 0.00 58.31 55.15 3hkd n LYS 126 Cb 0.00 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.54 3hkd n LYS 126 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hkd n ASP 127 N 1.42 1.46 -0.04 3.14 8.00 0.18 -3.81 116.55 126.91 3hkd n ASP 127 Ca 0.18 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3hkd n ASP 127 Cb 0.59 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3hkd n ASP 127 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hkd n LYS 128 N -3.99 0.57 -0.10 -1.24 4.01 0.23 -1.03 118.16 116.62 3hkd n LYS 128 Ca -0.10 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.48 3hkd n LYS 128 Cb 0.38 -1.02 -0.12 0.00 -0.51 0.00 0.00 35.03 33.76 3hkd n LYS 128 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 3hkd n HIS 129 N -0.44 0.42 -0.04 2.13 -0.00 -1.25 -4.27 115.22 111.77 3hkd n HIS 129 Ca 0.00 0.12 -0.03 0.00 -0.00 0.00 0.00 57.72 57.81 3hkd n HIS 129 Cb 0.01 -1.05 0.22 0.00 -0.00 0.00 0.00 29.99 29.17 3hkd n HIS 129 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hkd h ALA 130 N -0.26 1.19 0.51 1.57 0.00 -1.18 -2.84 119.26 118.25 3hkd h ALA 130 Ca -0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3hkd h ALA 130 Cb 1.80 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3hkd h ALA 130 CO -0.13 0.52 -0.48 1.05 0.00 0.00 0.00 179.25 180.21 3hkd h GLU 131 N 0.58 -0.95 0.00 0.00 9.09 -1.46 -3.23 114.58 118.61 3hkd h GLU 131 Ca 0.11 0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.56 3hkd h GLU 131 Cb 0.47 0.21 -0.00 0.00 -1.65 0.00 0.00 28.75 27.78 3hkd h GLU 131 CO 0.02 -0.63 -0.14 1.05 0.05 0.00 0.00 179.01 179.36 3hkd h GLU 132 N -0.98 0.00 -0.89 1.06 9.09 -1.70 -2.47 114.58 118.69 3hkd h GLU 132 Ca -0.06 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.15 3hkd h GLU 132 Cb 0.85 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.83 3hkd h GLU 132 CO -0.04 0.14 0.25 1.33 0.05 0.00 0.00 179.01 180.74 3hkd n VAL 133 N -4.23 2.17 -0.05 -1.06 0.24 -1.09 -1.98 118.33 112.33 3hkd n VAL 133 Ca -0.02 -1.11 -0.07 0.00 -2.04 0.00 0.00 64.34 61.10 3hkd n VAL 133 Cb 0.21 -0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 32.00 3hkd n VAL 133 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hkd n ARG 134 N -0.17 0.24 0.00 7.34 3.00 -0.94 -3.76 116.66 122.37 3hkd n ARG 134 Ca 0.30 0.06 0.01 0.00 -0.01 0.00 0.00 57.85 58.21 3hkd n ARG 134 Cb 1.10 -1.18 0.04 0.00 0.00 0.00 0.00 32.46 32.42 3hkd n ARG 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3hkd n LYS 135 N -2.80 0.01 -0.08 5.56 5.02 -1.17 0.98 118.16 125.68 3hkd n LYS 135 Ca -0.17 0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 56.42 3hkd n LYS 135 Cb 0.68 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.06 3hkd n LYS 135 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hkd n ASN 136 N -1.41 0.96 0.15 4.39 5.15 -0.84 -4.40 115.26 119.26 3hkd n ASN 136 Ca 0.01 -0.01 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 3hkd n ASN 136 Cb 0.02 0.85 -0.08 0.00 -0.53 0.00 0.00 39.78 40.04 3hkd n ASN 136 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3hkd h LYS 137 N 0.00 -0.36 -2.51 1.20 1.79 -1.12 -3.00 116.57 112.56 3hkd h LYS 137 Ca -0.45 0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 57.94 3hkd h LYS 137 Cb 2.01 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 32.71 3hkd h LYS 137 CO 0.02 -0.06 0.09 -0.85 -1.08 0.00 0.00 179.45 177.58 3hkd n GLU 138 N -5.13 1.03 -0.27 3.15 -0.00 0.28 -1.05 120.64 118.64 3hkd n GLU 138 Ca -0.09 -0.52 -0.00 0.00 -0.00 0.00 0.00 57.16 56.54 3hkd n GLU 138 Cb 0.25 -1.77 -0.00 0.00 -0.00 0.00 0.00 31.44 29.92 3hkd n GLU 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3hkd n LEU 139 N 2.78 -0.07 0.00 -1.84 -0.00 -1.14 -4.88 117.00 111.84 3hkd n LEU 139 Ca 0.22 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 3hkd n LEU 139 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3hkd n LEU 139 CO 0.19 0.63 0.20 0.29 -0.00 0.00 0.00 177.39 178.71