#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxd n ARG 3 N 0.00 -0.38 -3.60 0.54 1.74 -1.26 -5.13 116.66 108.57 2uxd n ARG 3 Ca 0.00 -2.22 -0.16 0.00 -0.77 0.00 0.00 57.85 54.69 2uxd n ARG 3 Cb 0.00 -0.78 -0.07 0.00 -1.02 0.00 0.00 32.46 30.59 2uxd n ARG 3 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2uxd s SER 4 N -4.82 -0.54 0.00 0.55 0.15 -1.26 -5.14 113.70 102.64 2uxd s SER 4 Ca 0.61 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2uxd s SER 4 Cb -0.03 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2uxd s SER 4 CO 0.41 -0.51 0.00 0.18 1.20 0.00 0.00 173.24 174.52 2uxd n LEU 5 N 1.28 0.00 0.00 3.45 4.77 -1.26 -5.14 117.00 120.10 2uxd n LEU 5 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2uxd n LEU 5 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2uxd n LEU 5 CO 0.21 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.56 2uxd n LYS 6 N 0.00 0.00 -3.40 3.23 5.02 -1.26 -5.12 118.16 116.63 2uxd n LYS 6 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2uxd n LYS 6 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 2uxd n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2uxd s LYS 7 N 0.00 0.31 0.00 1.97 -2.85 -1.26 -5.02 119.74 112.89 2uxd s LYS 7 Ca 0.00 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 2uxd s LYS 7 Cb 0.00 -0.70 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 2uxd s LYS 7 CO 0.00 -0.79 0.00 0.41 0.10 0.00 0.00 175.35 175.07 2uxd n GLY 8 N 5.34 0.77 3.52 0.59 0.00 -1.26 -5.00 105.19 109.14 2uxd n GLY 8 Ca -0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 2uxd n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uxd n VAL 9 N 0.00 -0.01 -1.70 1.61 0.31 -1.26 -4.86 118.33 112.42 2uxd n VAL 9 Ca 0.00 -0.41 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 2uxd n VAL 9 Cb 0.00 -0.91 -0.01 0.00 -0.91 0.00 0.00 33.84 32.01 2uxd n VAL 9 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2uxd n PHE 10 N 10.92 2.32 -3.62 3.52 7.35 -1.26 -4.91 117.46 131.78 2uxd n PHE 10 Ca 0.59 0.54 -0.02 0.00 -0.76 0.00 0.00 57.45 57.80 2uxd n PHE 10 Cb 0.23 -2.42 -0.05 0.00 0.35 0.00 0.00 39.48 37.59 2uxd n PHE 10 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2uxd s VAL 11 N -1.10 -0.65 0.55 -2.13 1.01 -1.26 -2.96 120.40 113.85 2uxd s VAL 11 Ca 0.55 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 2uxd s VAL 11 Cb -0.56 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 2uxd s VAL 11 CO 0.62 0.00 0.94 0.47 0.00 0.00 0.00 175.10 177.13 2uxd n ASP 12 N 5.04 0.76 -0.79 3.32 9.92 -1.26 -4.87 116.55 128.67 2uxd n ASP 12 Ca -0.14 0.86 0.09 0.00 -0.53 0.00 0.00 54.79 55.07 2uxd n ASP 12 Cb 0.52 -1.36 0.25 0.00 -0.64 0.00 0.00 41.12 39.89 2uxd n ASP 12 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2uxd n ASP 13 N -0.28 2.30 -0.02 -2.24 3.85 -1.26 -3.59 116.55 115.31 2uxd n ASP 13 Ca 0.12 -1.92 -0.10 0.00 -0.71 0.00 0.00 54.79 52.18 2uxd n ASP 13 Cb 0.45 -0.24 -0.04 0.00 -1.35 0.00 0.00 41.12 39.94 2uxd n ASP 13 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 2uxd h HIS 14 N 2.69 0.01 -0.00 2.11 3.86 -2.00 -3.27 115.15 118.55 2uxd h HIS 14 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2uxd h HIS 14 Cb 0.61 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2uxd h HIS 14 CO 0.24 -0.01 -0.24 1.47 0.86 0.00 0.00 177.93 180.25 2uxd n LEU 15 N -5.11 0.84 -0.13 2.43 -0.00 -1.26 -4.24 117.00 109.52 2uxd n LEU 15 Ca -0.04 -0.67 -0.10 0.00 -0.00 0.00 0.00 56.01 55.20 2uxd n LEU 15 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.49 2uxd n LEU 15 CO 0.29 0.18 0.82 0.25 -0.00 0.00 0.00 177.39 178.92 2uxd h LEU 16 N 0.59 0.64 -1.52 1.47 5.85 -1.62 1.43 115.31 122.15 2uxd h LEU 16 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2uxd h LEU 16 Cb 0.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2uxd h LEU 16 CO 0.00 0.76 0.00 -1.84 -0.34 0.00 0.00 178.44 177.02 2uxd n GLU 17 N -4.50 1.98 -0.00 1.25 0.28 -1.23 -2.46 120.64 115.95 2uxd n GLU 17 Ca -0.01 -1.50 0.04 0.00 -0.16 0.00 0.00 57.16 55.54 2uxd n GLU 17 Cb 0.25 -1.38 -0.06 0.00 1.43 0.00 0.00 31.44 31.68 2uxd n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2uxd n LYS 18 N 0.71 2.23 -0.05 3.44 4.81 -0.59 -4.34 118.16 124.37 2uxd n LYS 18 Ca 0.16 -0.04 -0.03 0.00 -0.87 0.00 0.00 58.31 57.52 2uxd n LYS 18 Cb 0.38 -1.07 -0.10 0.00 0.02 0.00 0.00 35.03 34.26 2uxd n LYS 18 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2uxd n VAL 19 N -1.51 0.64 0.20 3.15 3.14 0.48 -4.25 118.33 120.19 2uxd n VAL 19 Ca 0.00 -0.47 0.10 0.00 -2.96 0.00 0.00 64.34 61.01 2uxd n VAL 19 Cb 0.19 -0.47 0.14 0.00 -1.06 0.00 0.00 33.84 32.64 2uxd n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2uxd h LEU 20 N 0.00 0.00 0.00 6.55 8.10 -1.67 -3.05 115.31 125.24 2uxd h LEU 20 Ca -0.25 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.65 2uxd h LEU 20 Cb 1.49 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.69 2uxd h LEU 20 CO 0.01 0.10 -0.41 -0.33 -4.11 0.00 0.00 178.44 173.70 2uxd h GLU 21 N 0.00 0.00 0.00 0.17 5.08 -1.79 -2.82 114.58 115.22 2uxd h GLU 21 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2uxd h GLU 21 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2uxd h GLU 21 CO 0.01 0.37 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 2uxd n LEU 22 N -3.18 0.00 -0.05 1.33 4.77 -1.15 -3.07 117.00 115.66 2uxd n LEU 22 Ca 0.02 0.46 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 2uxd n LEU 22 Cb 0.69 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 2uxd n LEU 22 CO 0.39 -0.09 -0.73 0.59 -1.33 0.00 0.00 177.39 176.22 2uxd n ASN 23 N -1.46 2.01 -0.19 -1.43 3.02 -1.07 -2.35 115.26 113.79 2uxd n ASN 23 Ca 0.07 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 2uxd n ASN 23 Cb 0.26 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 2uxd n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uxd n ALA 24 N -3.22 1.52 0.04 5.41 0.00 -1.17 -3.20 120.51 119.89 2uxd n ALA 24 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2uxd n ALA 24 Cb 0.89 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2uxd n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2uxd n LYS 25 N -0.16 0.00 0.00 0.00 5.02 -1.25 -5.10 118.16 116.67 2uxd n LYS 25 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2uxd n LYS 25 Cb 0.02 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 2uxd n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uxd n GLY 26 N 2.14 -1.61 0.00 0.72 0.00 -0.99 -5.13 105.19 100.32 2uxd n GLY 26 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2uxd n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2uxd n GLU 27 N -0.27 0.00 -0.81 1.61 2.13 -1.01 -4.53 120.64 117.75 2uxd n GLU 27 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2uxd n GLU 27 Cb 0.00 0.00 0.23 0.00 0.27 0.00 0.00 31.44 31.94 2uxd n GLU 27 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2uxd s LYS 28 N 0.00 -0.67 -0.12 5.31 2.20 -1.26 -5.05 119.74 120.14 2uxd s LYS 28 Ca 0.00 0.56 0.02 0.00 -0.36 0.00 0.00 55.97 56.19 2uxd s LYS 28 Cb 0.00 -1.61 -0.00 0.00 -1.51 0.00 0.00 37.83 34.71 2uxd s LYS 28 CO 0.00 -3.48 -0.20 1.03 -0.36 0.00 0.00 175.35 172.33 2uxd s ARG 29 N -4.77 3.14 0.29 4.03 3.00 -1.26 -4.57 118.95 118.81 2uxd s ARG 29 Ca 0.68 -0.82 0.00 0.00 0.00 0.00 0.00 55.73 55.59 2uxd s ARG 29 Cb -0.21 -2.44 0.00 0.00 0.00 0.00 0.00 34.95 32.30 2uxd s ARG 29 CO 0.61 0.13 0.00 -0.11 0.00 0.00 0.00 175.30 175.93 2uxd n LEU 30 N 3.70 -3.37 0.00 2.53 -0.00 -1.04 -5.02 117.00 113.80 2uxd n LEU 30 Ca -0.19 2.03 0.00 0.00 -0.00 0.00 0.00 56.01 57.85 2uxd n LEU 30 Cb 0.52 -1.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.34 2uxd n LEU 30 CO 0.28 -0.07 -0.14 -0.38 -0.00 0.00 0.00 177.39 177.09 2uxd n ILE 31 N -0.38 0.00 -1.76 1.96 2.08 -0.68 -4.94 119.36 115.65 2uxd n ILE 31 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2uxd n ILE 31 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.64 2uxd n ILE 31 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2uxd n LYS 32 N -1.92 -2.82 -4.04 0.38 2.85 -1.22 -4.77 118.16 106.61 2uxd n LYS 32 Ca 0.00 2.02 -0.08 0.00 -1.05 0.00 0.00 58.31 59.21 2uxd n LYS 32 Cb 0.14 -2.46 -0.10 0.00 -0.65 0.00 0.00 35.03 31.96 2uxd n LYS 32 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2uxd s THR 33 N -1.17 0.19 -1.64 0.58 2.01 0.24 -4.81 115.64 111.05 2uxd s THR 33 Ca 0.00 -1.60 0.25 0.00 0.31 0.00 0.00 61.69 60.64 2uxd s THR 33 Cb 0.00 -1.36 0.11 0.00 0.01 0.00 0.00 72.50 71.26 2uxd s THR 33 CO 0.00 -0.88 1.35 0.79 -0.69 0.00 0.00 174.62 175.19 2uxd n TRP 34 N 0.24 0.00 -3.42 4.92 5.03 -1.26 -3.61 117.44 119.34 2uxd n TRP 34 Ca -0.15 0.00 -0.44 0.00 3.03 0.00 0.00 57.50 59.94 2uxd n TRP 34 Cb 0.61 -0.10 -0.08 0.00 -1.03 0.00 0.00 31.31 30.71 2uxd n TRP 34 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2uxd s SER 35 N -2.62 6.05 0.00 -0.99 0.15 -1.26 -4.82 113.70 110.21 2uxd s SER 35 Ca 0.19 -1.41 0.17 0.00 0.70 0.00 0.00 55.95 55.59 2uxd s SER 35 Cb 0.18 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 2uxd s SER 35 CO 0.60 -0.65 0.85 -2.11 1.20 0.00 0.00 173.24 173.13 2uxd n ARG 36 N 5.15 1.66 0.00 5.44 1.85 -1.26 -4.17 116.66 125.32 2uxd n ARG 36 Ca -0.12 -0.74 0.14 0.00 -1.00 0.00 0.00 57.85 56.12 2uxd n ARG 36 Cb 0.43 -1.29 0.69 0.00 -1.05 0.00 0.00 32.46 31.24 2uxd n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2uxd n ARG 37 N -0.24 0.35 -2.89 2.89 1.85 -1.26 -1.10 116.66 116.26 2uxd n ARG 37 Ca 0.06 0.02 -0.40 0.00 -1.00 0.00 0.00 57.85 56.54 2uxd n ARG 37 Cb 0.34 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 2uxd n ARG 37 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2uxd s SER 38 N -2.62 7.40 0.62 2.89 1.04 -1.26 -4.86 113.70 116.92 2uxd s SER 38 Ca 0.25 1.67 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 2uxd s SER 38 Cb 0.19 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 2uxd s SER 38 CO 0.43 0.09 1.03 -0.89 0.98 0.00 0.00 173.24 174.89 2uxd s THR 39 N -0.61 4.46 -0.60 2.02 2.01 -1.15 -2.46 115.64 119.31 2uxd s THR 39 Ca 0.40 0.88 -0.20 0.00 0.31 0.00 0.00 61.69 63.08 2uxd s THR 39 Cb -0.23 -3.70 0.09 0.00 0.01 0.00 0.00 72.50 68.67 2uxd s THR 39 CO 0.27 -0.96 0.78 -0.63 -0.69 0.00 0.00 174.62 173.39 2uxd s ILE 40 N -3.01 4.66 0.60 1.82 1.01 -0.93 -4.86 121.20 120.50 2uxd s ILE 40 Ca 0.57 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2uxd s ILE 40 Cb -0.12 -4.53 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 2uxd s ILE 40 CO 0.49 -1.18 0.95 0.68 0.00 0.00 0.00 174.94 175.88 2uxd s VAL 41 N 3.14 4.29 0.00 2.92 -7.23 -1.26 -3.29 120.40 118.96 2uxd s VAL 41 Ca 0.16 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2uxd s VAL 41 Cb -0.21 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2uxd s VAL 41 CO 0.09 -0.82 0.39 -2.65 -0.31 0.00 0.00 175.10 171.79 2uxd n PRO 42 N -2.64 0.00 0.24 4.82 -0.02 -1.26 -1.54 135.00 134.60 2uxd n PRO 42 Ca 0.04 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 2uxd n PRO 42 Cb 0.56 -0.77 0.35 0.00 -0.02 0.00 0.00 33.50 33.61 2uxd n PRO 42 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2uxd h GLU 43 N 0.00 0.00 0.00 -0.52 9.09 -2.01 -1.19 114.58 119.95 2uxd h GLU 43 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2uxd h GLU 43 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2uxd h GLU 43 CO 0.00 0.00 0.00 -1.33 0.05 0.00 0.00 179.01 177.73 2uxd n MET 44 N -2.79 0.18 -1.40 1.06 2.81 -0.59 -4.74 117.12 111.65 2uxd n MET 44 Ca 0.03 0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.62 2uxd n MET 44 Cb 0.86 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.95 2uxd n MET 44 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2uxd s VAL 45 N -2.03 3.50 0.00 2.03 1.01 -0.45 -3.94 120.40 120.53 2uxd s VAL 45 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2uxd s VAL 45 Cb 0.04 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2uxd s VAL 45 CO 0.07 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.14 2uxd n GLY 46 N -1.60 0.93 0.00 4.51 0.00 -1.26 -4.93 105.19 102.84 2uxd n GLY 46 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2uxd n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uxd n HIS 47 N 0.00 -1.50 -3.36 1.61 -0.00 -1.25 -4.82 115.22 105.90 2uxd n HIS 47 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2uxd n HIS 47 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 2uxd n HIS 47 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2uxd s THR 48 N -0.74 -0.49 -0.09 1.59 2.01 -1.26 -3.73 115.64 112.94 2uxd s THR 48 Ca 0.00 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 2uxd s THR 48 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2uxd s THR 48 CO 0.00 -0.41 0.16 -0.63 -0.69 0.00 0.00 174.62 173.05 2uxd s ILE 49 N 2.32 5.47 -0.08 1.82 1.01 -1.03 -1.68 121.20 129.04 2uxd s ILE 49 Ca 0.10 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 2uxd s ILE 49 Cb -0.13 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2uxd s ILE 49 CO -0.29 0.54 0.05 0.00 0.00 0.00 0.00 174.94 175.24 2uxd s ALA 50 N -1.11 3.47 0.14 9.38 0.00 -1.26 -2.79 121.76 129.59 2uxd s ALA 50 Ca 0.18 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.45 2uxd s ALA 50 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2uxd s ALA 50 CO 0.08 0.61 -0.15 0.08 0.00 0.00 0.00 175.76 176.38 2uxd s VAL 51 N -0.97 2.96 -0.39 0.00 1.01 -1.15 -0.59 120.40 121.27 2uxd s VAL 51 Ca 0.15 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 60.45 2uxd s VAL 51 Cb -0.12 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2uxd s VAL 51 CO 0.05 0.04 0.28 -0.47 0.00 0.00 0.00 175.10 174.99 2uxd s TYR 52 N -1.32 3.24 0.16 5.22 5.04 -1.24 -0.75 117.35 127.70 2uxd s TYR 52 Ca 0.20 -0.56 -0.16 0.00 -2.44 0.00 0.00 57.07 54.11 2uxd s TYR 52 Cb -0.10 -2.55 0.09 0.00 0.35 0.00 0.00 41.96 39.75 2uxd s TYR 52 CO 0.12 -0.55 1.71 -0.91 -1.34 0.00 0.00 175.55 174.58 2uxd h ASN 53 N 8.58 -0.08 0.00 4.32 -0.26 -1.32 -3.44 115.58 123.38 2uxd h ASN 53 Ca -0.28 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 2uxd h ASN 53 Cb 1.13 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2uxd h ASN 53 CO 0.70 -0.01 0.00 0.61 -1.06 0.00 0.00 177.43 177.68 2uxd n GLY 54 N -1.25 -0.46 0.00 2.83 0.00 -1.26 -4.90 105.19 100.15 2uxd n GLY 54 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2uxd n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uxd n LYS 55 N 0.00 0.00 -3.64 1.61 4.81 -1.26 -5.15 118.16 114.53 2uxd n LYS 55 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2uxd n LYS 55 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2uxd n LYS 55 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2uxd s GLN 56 N 0.00 0.81 -0.14 1.64 0.74 -1.26 -5.15 119.66 116.30 2uxd s GLN 56 Ca 0.00 0.46 -0.16 0.00 0.05 0.00 0.00 55.36 55.71 2uxd s GLN 56 Cb 0.00 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 2uxd s GLN 56 CO 0.00 -0.18 0.37 -1.01 -0.55 0.00 0.00 175.29 173.92 2uxd s HIS 57 N -0.46 3.49 0.00 1.67 3.76 -1.26 -0.88 115.29 121.62 2uxd s HIS 57 Ca -0.06 0.73 0.07 0.00 -0.15 0.00 0.00 55.06 55.65 2uxd s HIS 57 Cb -0.03 -2.42 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 2uxd s HIS 57 CO 0.04 0.23 -0.21 0.14 -0.85 0.00 0.00 174.74 174.09 2uxd s VAL 58 N 0.46 2.50 -0.93 -0.90 -7.23 0.07 -4.89 120.40 109.47 2uxd s VAL 58 Ca 0.21 -1.10 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 2uxd s VAL 58 Cb -0.14 -1.97 -0.14 0.00 0.56 0.00 0.00 36.38 34.69 2uxd s VAL 58 CO 0.07 0.47 2.19 -2.16 -0.31 0.00 0.00 175.10 175.37 2uxd s PRO 59 N -0.99 1.75 -0.37 4.82 0.04 -1.26 -2.92 135.00 136.07 2uxd s PRO 59 Ca 0.12 -0.08 -0.15 0.00 0.04 0.00 0.00 61.00 60.93 2uxd s PRO 59 Cb -0.10 -4.94 -0.00 0.00 0.04 0.00 0.00 34.50 29.50 2uxd s PRO 59 CO 0.02 -4.50 0.31 0.08 0.04 0.00 0.00 177.00 172.95 2uxd s VAL 60 N 14.16 5.22 -0.37 -0.36 1.01 -1.12 -5.05 120.40 133.89 2uxd s VAL 60 Ca 0.83 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 2uxd s VAL 60 Cb -0.08 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2uxd s VAL 60 CO 0.10 -0.16 0.35 -0.47 0.00 0.00 0.00 175.10 174.92 2uxd s TYR 61 N 1.84 3.21 0.69 5.22 5.04 -1.26 -2.45 117.35 129.64 2uxd s TYR 61 Ca 0.08 -0.25 -0.16 0.00 -2.44 0.00 0.00 57.07 54.30 2uxd s TYR 61 Cb -0.18 -2.68 0.01 0.00 0.35 0.00 0.00 41.96 39.47 2uxd s TYR 61 CO 0.11 -0.51 1.24 -1.50 -1.34 0.00 0.00 175.55 173.55 2uxd s ILE 62 N 1.93 2.22 0.17 3.14 1.10 -1.24 -5.04 121.20 123.48 2uxd s ILE 62 Ca 0.10 0.12 -0.04 0.00 -0.51 0.00 0.00 60.65 60.32 2uxd s ILE 62 Cb -0.17 -2.86 -0.03 0.00 0.15 0.00 0.00 42.46 39.55 2uxd s ILE 62 CO 0.12 -0.04 0.18 -0.89 -2.11 0.00 0.00 174.94 172.19 2uxd s THR 63 N -1.72 0.05 0.00 4.00 2.01 -1.26 -4.37 115.64 114.35 2uxd s THR 63 Ca 0.78 -1.76 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2uxd s THR 63 Cb -0.32 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.04 2uxd s THR 63 CO 0.42 -0.24 0.46 1.21 -0.69 0.00 0.00 174.62 175.78 2uxd n GLU 64 N -0.20 0.00 0.00 4.92 4.07 -1.26 -3.34 120.64 124.82 2uxd n GLU 64 Ca -0.03 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2uxd n GLU 64 Cb 0.64 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 31.06 2uxd n GLU 64 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2uxd n ASN 65 N -0.52 0.00 -1.21 4.31 6.94 -1.26 0.31 115.26 123.83 2uxd n ASN 65 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2uxd n ASN 65 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2uxd n ASN 65 CO 0.00 0.00 0.00 1.15 -1.03 0.00 0.00 177.26 177.38 2uxd n MET 66 N -3.31 0.98 -2.10 -3.83 0.00 -1.21 -4.63 117.12 103.01 2uxd n MET 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 2uxd n MET 66 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 33.22 32.21 2uxd n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2uxd n VAL 67 N 0.93 4.30 0.00 3.17 0.31 0.15 -3.22 118.33 123.97 2uxd n VAL 67 Ca 0.00 -4.01 0.00 0.00 -0.01 0.00 0.00 64.34 60.32 2uxd n VAL 67 Cb 0.49 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2uxd n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2uxd n GLY 68 N 2.93 0.00 3.86 2.92 0.00 -1.21 -4.97 105.19 108.73 2uxd n GLY 68 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 2uxd n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uxd s HIS 69 N 0.00 3.40 0.40 1.61 4.02 -1.20 -4.71 115.29 118.81 2uxd s HIS 69 Ca 0.00 1.08 -0.17 0.00 1.02 0.00 0.00 55.06 56.99 2uxd s HIS 69 Cb 0.00 -2.43 -0.09 0.00 -1.02 0.00 0.00 32.58 29.04 2uxd s HIS 69 CO 0.00 0.15 0.86 0.15 1.02 0.00 0.00 174.74 176.92 2uxd s LYS 70 N -2.97 4.06 0.28 1.40 1.02 -1.26 -2.18 119.74 120.08 2uxd s LYS 70 Ca 0.52 0.87 -0.03 0.00 0.02 0.00 0.00 55.97 57.35 2uxd s LYS 70 Cb -0.11 -2.28 0.40 0.00 -0.52 0.00 0.00 37.83 35.32 2uxd s LYS 70 CO 0.19 -0.01 1.92 -0.07 -0.92 0.00 0.00 175.35 176.47 2uxd h LEU 71 N 1.79 0.94 -0.99 3.17 3.38 -1.56 -1.06 115.31 120.99 2uxd h LEU 71 Ca -0.48 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2uxd h LEU 71 Cb 1.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2uxd h LEU 71 CO 0.63 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2uxd n GLY 72 N -1.24 -0.77 0.88 0.83 0.00 -0.26 -0.65 105.19 103.98 2uxd n GLY 72 Ca 0.08 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.30 2uxd n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2uxd n GLU 73 N -2.03 2.20 0.00 1.61 2.13 -0.40 -3.93 120.64 120.23 2uxd n GLU 73 Ca -0.01 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.23 2uxd n GLU 73 Cb 0.03 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2uxd n GLU 73 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2uxd n PHE 74 N 0.68 0.00 -3.44 4.31 3.01 0.18 -4.96 117.46 117.24 2uxd n PHE 74 Ca 0.15 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.17 2uxd n PHE 74 Cb 0.43 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.84 2uxd n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uxd s ALA 75 N -0.80 3.51 0.04 4.37 0.00 -1.19 -5.04 121.76 122.65 2uxd s ALA 75 Ca 0.00 -2.50 -0.35 0.00 0.00 0.00 0.00 51.96 49.11 2uxd s ALA 75 Cb 0.00 -3.03 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 2uxd s ALA 75 CO 0.00 -1.94 1.60 -0.35 0.00 0.00 0.00 175.76 175.07 2uxd n PRO 76 N 5.08 1.78 -0.04 0.00 -0.04 -1.26 -4.92 135.00 135.60 2uxd n PRO 76 Ca -0.11 0.65 -0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2uxd n PRO 76 Cb 0.41 -2.39 -0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2uxd n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uxd h THR 77 N 4.12 0.00 -0.09 0.52 1.03 -1.90 -3.45 112.91 113.14 2uxd h THR 77 Ca -0.47 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 2uxd h THR 77 Cb 1.29 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 2uxd h THR 77 CO 0.88 0.00 0.00 0.54 -0.01 0.00 0.00 175.52 176.93 2uxd n ARG 78 N -4.17 2.81 -3.19 0.00 1.74 -1.26 -4.91 116.66 107.68 2uxd n ARG 78 Ca -0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2uxd n ARG 78 Cb 0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.44 2uxd n ARG 78 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2uxd s THR 79 N 0.00 -0.76 -0.07 0.55 -4.23 -1.26 -5.17 115.64 104.70 2uxd s THR 79 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2uxd s THR 79 Cb 0.00 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 2uxd s THR 79 CO 0.00 0.00 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.54 2uxd s TYR 80 N 2.87 2.95 -0.83 3.99 5.04 -1.26 -4.77 117.35 125.34 2uxd s TYR 80 Ca 0.11 0.02 -0.18 0.00 -2.44 0.00 0.00 57.07 54.59 2uxd s TYR 80 Cb -0.13 -1.72 0.03 0.00 0.35 0.00 0.00 41.96 40.49 2uxd s TYR 80 CO -0.18 0.33 0.50 -2.13 -1.34 0.00 0.00 175.55 172.73 2uxd n ARG 81 N 2.24 -0.66 0.00 4.97 0.63 -1.26 -5.31 116.66 117.27 2uxd n ARG 81 Ca -0.18 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2uxd n ARG 81 Cb 0.53 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.80 2uxd n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53