#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5s s THR 2 N 0.00 3.56 -0.25 2.61 -4.23 -1.26 -4.94 115.64 111.13 2k5s s THR 2 Ca 0.00 0.51 0.24 0.00 -1.18 0.00 0.00 61.69 61.26 2k5s s THR 2 Cb 0.00 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.74 2k5s s THR 2 CO 0.00 -0.66 1.73 0.50 -0.54 0.00 0.00 174.62 175.65 2k5s h LYS 3 N -0.81 0.00 -0.04 3.99 3.64 -2.01 -3.00 116.57 118.33 2k5s h LYS 3 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2k5s h LYS 3 Cb 1.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 2k5s h LYS 3 CO 0.60 0.00 -0.38 1.79 -2.27 0.00 0.00 179.45 179.19 2k5s h THR 4 N 0.00 0.20 -1.00 1.00 1.35 -1.99 -0.04 112.91 112.43 2k5s h THR 4 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 2k5s h THR 4 Cb 0.16 0.20 -0.10 0.00 -1.73 0.00 0.00 68.15 66.69 2k5s h THR 4 CO 0.00 0.00 0.62 0.44 -0.25 0.00 0.00 175.52 176.33 2k5s h ASP 5 N -0.51 0.82 0.71 5.36 3.32 -1.92 0.19 116.42 124.39 2k5s h ASP 5 Ca 0.06 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2k5s h ASP 5 Cb 0.61 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.09 2k5s h ASP 5 CO -0.33 0.36 -0.34 1.88 -1.72 0.00 0.00 179.24 179.09 2k5s h TYR 6 N 0.84 -0.88 -0.66 4.55 -1.99 -1.46 -1.81 116.97 115.54 2k5s h TYR 6 Ca 0.54 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 61.19 2k5s h TYR 6 Cb 0.75 0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.74 2k5s h TYR 6 CO -0.00 -0.55 0.17 -0.07 -0.00 0.00 0.00 178.16 177.71 2k5s h LEU 7 N -1.26 1.00 0.66 3.88 3.38 -0.83 -1.20 115.31 120.94 2k5s h LEU 7 Ca -0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 2k5s h LEU 7 Cb 0.73 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k5s h LEU 7 CO 0.16 0.97 -0.32 0.24 0.09 0.00 0.00 178.44 179.58 2k5s h MET 8 N 0.98 -0.85 -0.64 1.13 2.86 -0.71 0.33 114.93 118.03 2k5s h MET 8 Ca 0.21 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.04 2k5s h MET 8 Cb 0.35 0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.10 2k5s h MET 8 CO 0.00 -0.56 0.06 -0.09 1.06 0.00 0.00 176.91 177.38 2k5s h ARG 9 N -1.22 0.17 0.35 1.72 2.43 -1.35 -1.73 114.38 114.74 2k5s h ARG 9 Ca -0.09 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2k5s h ARG 9 Cb 0.68 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2k5s h ARG 9 CO 0.15 0.11 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.48 2k5s h LEU 10 N 0.17 -0.40 -2.07 3.80 3.38 -1.23 -3.20 115.31 115.76 2k5s h LEU 10 Ca 0.34 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2k5s h LEU 10 Cb 0.55 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k5s h LEU 10 CO -0.50 -0.05 0.32 -0.09 0.09 0.00 0.00 178.44 178.21 2k5s h ARG 11 N -0.78 0.00 -0.09 1.13 2.43 0.32 0.65 114.38 118.03 2k5s h ARG 11 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k5s h ARG 11 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k5s h ARG 11 CO 0.08 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.17 2k5s n LYS 12 N -3.04 1.99 -0.24 0.20 4.01 -0.71 -4.35 118.16 116.01 2k5s n LYS 12 Ca -0.01 -1.45 -0.00 0.00 -0.51 0.00 0.00 58.31 56.34 2k5s n LYS 12 Cb 0.39 -1.46 0.07 0.00 -0.51 0.00 0.00 35.03 33.51 2k5s n LYS 12 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k5s n THR 14 N -5.47 0.00 -3.84 0.00 -1.04 -1.26 -5.01 114.28 97.67 2k5s n THR 14 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 2k5s n THR 14 Cb 0.36 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.74 2k5s n THR 14 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2k5s s THR 15 N -2.26 -0.01 -0.01 12.58 -4.23 -1.26 -5.07 115.64 115.38 2k5s s THR 15 Ca 0.00 0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 2k5s s THR 15 Cb 0.00 -0.10 -0.12 0.00 1.34 0.00 0.00 72.50 73.62 2k5s s THR 15 CO 0.00 0.01 0.89 0.40 -0.54 0.00 0.00 174.62 175.39 2k5s h ILE 16 N 5.23 0.00 -0.26 2.99 2.04 -1.98 -1.96 117.51 123.58 2k5s h ILE 16 Ca -0.28 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.23 2k5s h ILE 16 Cb 1.19 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2k5s h ILE 16 CO 0.47 0.00 0.44 -2.24 0.00 0.00 0.00 178.15 176.82 2k5s h ASP 17 N -1.21 0.00 0.05 1.72 2.03 -2.02 0.32 116.42 117.31 2k5s h ASP 17 Ca -0.08 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.10 2k5s h ASP 17 Cb 0.60 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.11 2k5s h ASP 17 CO 0.13 0.00 -0.52 0.74 -1.03 0.00 0.00 179.24 178.56 2k5s h THR 18 N 0.00 1.53 -1.42 1.15 2.02 -1.97 -3.28 112.91 110.94 2k5s h THR 18 Ca 0.12 -2.22 0.43 0.00 0.77 0.00 0.00 66.41 65.51 2k5s h THR 18 Cb 1.00 2.92 -0.10 0.00 -1.74 0.00 0.00 68.15 70.24 2k5s h THR 18 CO -0.00 0.62 0.97 0.25 0.37 0.00 0.00 175.52 177.73 2k5s h LEU 19 N -0.39 0.16 0.27 2.58 5.85 0.46 1.41 115.31 125.65 2k5s h LEU 19 Ca -0.08 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2k5s h LEU 19 Cb 1.31 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2k5s h LEU 19 CO 0.10 -0.07 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.67 2k5s h GLU 20 N 0.08 -0.35 -0.60 1.25 4.39 -1.60 -1.66 114.58 116.10 2k5s h GLU 20 Ca 0.77 0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.62 2k5s h GLU 20 Cb 2.68 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 31.30 2k5s h GLU 20 CO -0.22 -0.05 -0.03 -0.09 -1.16 0.00 0.00 179.01 177.46 2k5s h ARG 21 N -0.64 0.09 0.01 2.33 2.43 0.18 -1.88 114.38 116.90 2k5s h ARG 21 Ca -0.04 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k5s h ARG 21 Cb 0.45 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2k5s h ARG 21 CO 0.06 0.06 -0.01 0.28 -1.51 0.00 0.00 179.97 178.85 2k5s h VAL 22 N 0.09 1.21 -0.74 0.20 2.07 -1.41 -3.27 116.25 114.40 2k5s h VAL 22 Ca 0.31 -0.66 0.16 0.00 0.82 0.00 0.00 66.70 67.32 2k5s h VAL 22 Cb 0.49 1.65 -0.14 0.00 -1.52 0.00 0.00 31.29 31.78 2k5s h VAL 22 CO -0.53 0.17 -0.11 0.40 0.02 0.00 0.00 177.57 177.52 2k5s h ILE 23 N -0.30 0.29 -0.21 4.57 2.04 -0.48 0.87 117.51 124.29 2k5s h ILE 23 Ca -0.00 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2k5s h ILE 23 Cb 0.29 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2k5s h ILE 23 CO 0.00 0.01 0.15 -0.08 0.00 0.00 0.00 178.15 178.23 2k5s h GLU 24 N 0.04 0.00 0.42 2.37 4.81 -1.53 -1.61 114.58 119.08 2k5s h GLU 24 Ca 0.38 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2k5s h GLU 24 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k5s h GLU 24 CO -0.72 0.00 -0.20 -0.22 -0.73 0.00 0.00 179.01 177.14 2k5s h LYS 25 N 0.00 -0.54 -0.39 1.92 3.64 0.68 -2.82 116.57 119.05 2k5s h LYS 25 Ca 0.10 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.63 2k5s h LYS 25 Cb 0.40 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2k5s h LYS 25 CO -0.00 -0.24 0.45 -0.91 -2.27 0.00 0.00 179.45 176.48 2k5s h ASN 26 N -0.85 0.00 -0.42 4.20 2.35 -0.43 -3.23 115.58 117.20 2k5s h ASN 26 Ca -0.06 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2k5s h ASN 26 Cb 0.55 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.83 2k5s h ASN 26 CO 0.09 0.00 -0.30 0.50 -1.65 0.00 0.00 177.43 176.08 2k5s h LYS 27 N 0.00 -0.21 0.01 0.81 3.64 -1.06 -2.18 116.57 117.59 2k5s h LYS 27 Ca 0.19 0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.22 2k5s h LYS 27 Cb 1.09 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 2k5s h LYS 27 CO -0.00 -0.14 -2.22 0.66 -2.27 0.00 0.00 179.45 175.48 2k5s n TYR 28 N -5.41 0.33 0.92 1.91 4.01 -1.22 -4.24 117.16 113.46 2k5s n TYR 28 Ca 0.02 0.10 0.09 0.00 -0.16 0.00 0.00 57.90 57.95 2k5s n TYR 28 Cb 0.33 -1.06 0.47 0.00 -0.31 0.00 0.00 39.34 38.78 2k5s n TYR 28 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2k5s n GLU 29 N -2.98 0.33 0.00 -0.72 0.28 -1.23 -4.60 120.64 111.71 2k5s n GLU 29 Ca -0.32 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.77 2k5s n GLU 29 Cb 1.09 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.46 2k5s n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2k5s n LEU 30 N -1.22 0.00 -3.55 -1.84 7.94 -0.82 -5.06 117.00 112.44 2k5s n LEU 30 Ca 0.10 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.92 2k5s n LEU 30 Cb 0.13 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.05 2k5s n LEU 30 CO 0.13 0.00 0.81 -0.94 -1.11 0.00 0.00 177.39 176.28 2k5s s SER 31 N 0.59 -0.30 0.11 1.96 1.04 -1.26 -5.02 113.70 110.82 2k5s s SER 31 Ca 0.00 0.09 -0.32 0.00 0.48 0.00 0.00 55.95 56.20 2k5s s SER 31 Cb 0.00 0.29 -0.11 0.00 0.10 0.00 0.00 66.02 66.30 2k5s s SER 31 CO 0.00 -0.44 1.58 -0.78 0.98 0.00 0.00 173.24 174.58 2k5s h ASP 32 N 2.12 -1.33 -1.20 7.02 3.58 -1.96 0.58 116.42 125.23 2k5s h ASP 32 Ca -0.17 0.15 0.34 0.00 0.42 0.00 0.00 57.03 57.76 2k5s h ASP 32 Cb 1.20 0.50 -0.07 0.00 1.72 0.00 0.00 39.33 42.68 2k5s h ASP 32 CO 0.28 -0.51 0.83 -0.78 -2.88 0.00 0.00 179.24 176.19 2k5s h ASP 33 N -0.68 0.16 0.05 2.28 3.58 -2.01 0.12 116.42 119.92 2k5s h ASP 33 Ca 0.02 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 2k5s h ASP 33 Cb 0.70 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k5s h ASP 33 CO -0.26 0.01 -0.46 -0.33 -2.88 0.00 0.00 179.24 175.32 2k5s h GLU 34 N 0.13 0.11 -0.38 0.28 5.08 -1.78 -3.36 114.58 114.65 2k5s h GLU 34 Ca 0.62 -0.18 0.11 0.00 -1.00 0.00 0.00 59.36 58.91 2k5s h GLU 34 Cb 2.14 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.45 2k5s h GLU 34 CO -0.13 1.09 0.99 -0.07 -1.00 0.00 0.00 179.01 179.89 2k5s h LEU 35 N -0.76 0.00 -1.27 1.33 -0.00 0.29 1.12 115.31 116.02 2k5s h LEU 35 Ca -0.10 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2k5s h LEU 35 Cb 1.27 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.89 2k5s h LEU 35 CO 0.03 0.00 0.52 -0.33 -0.00 0.00 0.00 178.44 178.66 2k5s h GLU 36 N 0.00 0.89 0.16 1.13 5.08 -1.72 0.80 114.58 120.92 2k5s h GLU 36 Ca 0.18 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2k5s h GLU 36 Cb 2.17 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 31.18 2k5s h GLU 36 CO -0.00 0.59 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.23 2k5s h LEU 37 N 0.92 -0.84 -1.20 1.33 3.38 0.10 1.30 115.31 120.30 2k5s h LEU 37 Ca 0.33 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 2k5s h LEU 37 Cb 0.15 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2k5s h LEU 37 CO -0.11 -0.39 0.18 0.15 0.09 0.00 0.00 178.44 178.36 2k5s h PHE 38 N -0.54 0.74 0.10 1.13 3.57 -1.35 0.33 116.94 120.92 2k5s h PHE 38 Ca 0.02 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k5s h PHE 38 Cb 0.55 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2k5s h PHE 38 CO -0.25 0.59 -0.05 1.88 -2.23 0.00 0.00 178.31 178.25 2k5s h TYR 39 N 0.73 -0.13 -0.46 0.41 0.05 -0.39 -0.72 116.97 116.46 2k5s h TYR 39 Ca 0.17 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.01 2k5s h TYR 39 Cb 0.18 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2k5s h TYR 39 CO 0.01 0.12 0.31 1.03 -1.05 0.00 0.00 178.16 178.58 2k5s h SER 40 N -1.01 0.32 0.01 3.88 0.87 0.16 -2.94 113.55 114.84 2k5s h SER 40 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k5s h SER 40 Cb 0.30 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2k5s h SER 40 CO 0.02 0.21 -0.00 0.00 -0.53 0.00 0.00 176.83 176.53 2k5s h ALA 41 N 1.75 -0.01 -1.02 6.23 0.00 -0.43 -3.38 119.26 122.40 2k5s h ALA 41 Ca 0.20 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.31 2k5s h ALA 41 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2k5s h ALA 41 CO -0.05 -0.01 0.67 0.00 0.00 0.00 0.00 179.25 179.86 2k5s h ALA 42 N -0.88 2.33 -0.44 0.00 0.00 -1.09 -1.79 119.26 117.40 2k5s h ALA 42 Ca -0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2k5s h ALA 42 Cb 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2k5s h ALA 42 CO 0.00 -0.70 0.02 0.22 0.00 0.00 0.00 179.25 178.79 2k5s h ASP 43 N 0.35 -0.14 -0.94 0.00 3.58 -1.69 -1.38 116.42 116.19 2k5s h ASP 43 Ca 0.56 0.10 0.29 0.00 0.42 0.00 0.00 57.03 58.39 2k5s h ASP 43 Cb 1.51 0.17 -0.16 0.00 1.72 0.00 0.00 39.33 42.57 2k5s h ASP 43 CO -0.23 -0.04 0.30 0.45 -2.88 0.00 0.00 179.24 176.84 2k5s h HIS 44 N 0.13 0.45 0.00 0.28 3.86 -1.53 0.96 115.15 119.30 2k5s h HIS 44 Ca 0.22 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2k5s h HIS 44 Cb 0.31 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2k5s h HIS 44 CO -0.27 -0.29 0.00 -2.13 0.86 0.00 0.00 177.93 176.10 2k5s n ARG 45 N -5.25 0.10 -0.04 2.45 3.00 -0.53 -3.96 116.66 112.42 2k5s n ARG 45 Ca 0.26 0.25 -0.14 0.00 -0.00 0.00 0.00 57.85 58.22 2k5s n ARG 45 Cb 0.85 -1.66 -0.12 0.00 0.00 0.00 0.00 32.46 31.53 2k5s n ARG 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2k5s h LEU 46 N 0.00 0.06 -1.25 6.15 6.46 0.11 -3.16 115.31 123.68 2k5s h LEU 46 Ca 0.00 -0.83 0.05 0.00 -0.12 0.00 0.00 57.88 56.98 2k5s h LEU 46 Cb 0.41 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 2k5s h LEU 46 CO 0.00 0.88 0.53 0.00 -0.62 0.00 0.00 178.44 179.23 2k5s h ALA 47 N 0.18 1.55 0.36 1.25 0.00 -1.69 0.36 119.26 121.28 2k5s h ALA 47 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k5s h ALA 47 Cb 0.90 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k5s h ALA 47 CO 0.02 0.35 -0.17 1.05 0.00 0.00 0.00 179.25 180.50 2k5s h GLU 48 N 0.95 -0.47 -0.86 0.00 -0.00 -1.74 -2.38 114.58 110.09 2k5s h GLU 48 Ca 0.33 0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.81 2k5s h GLU 48 Cb 0.11 0.11 -0.06 0.00 -0.00 0.00 0.00 28.75 28.90 2k5s h GLU 48 CO -0.10 -0.26 0.56 -0.07 -0.00 0.00 0.00 179.01 179.13 2k5s h LEU 49 N -0.56 0.78 -1.47 3.06 3.38 -1.31 0.40 115.31 119.59 2k5s h LEU 49 Ca -0.05 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2k5s h LEU 49 Cb 0.42 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2k5s h LEU 49 CO 0.08 0.47 0.53 0.74 0.09 0.00 0.00 178.44 180.35 2k5s h THR 50 N 0.87 0.81 0.00 0.22 2.02 0.22 -3.37 112.91 113.68 2k5s h THR 50 Ca 0.39 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2k5s h THR 50 Cb 0.35 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2k5s h THR 50 CO -0.15 0.10 0.00 1.15 0.37 0.00 0.00 175.52 176.98 2k5s n MET 51 N -4.51 0.00 0.00 6.66 -0.00 -0.37 -5.08 117.12 113.82 2k5s n MET 51 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 2k5s n MET 51 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.72 2k5s n MET 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2k5s n ASN 52 N 0.00 0.00 0.00 3.17 6.94 -0.01 -5.05 115.26 120.31 2k5s n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k5s n ASN 52 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2k5s n ASN 52 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2k5s n LYS 53 N 0.00 2.81 -3.73 -3.83 5.02 -1.21 -4.99 118.16 112.24 2k5s n LYS 53 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2k5s n LYS 53 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 2k5s n LYS 53 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k5s s LEU 54 N 0.00 1.22 0.00 -0.35 2.96 -1.26 -4.67 118.68 116.58 2k5s s LEU 54 Ca 0.00 -0.89 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 2k5s s LEU 54 Cb 0.00 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 46.09 2k5s s LEU 54 CO 0.00 -0.32 0.00 -1.22 -1.32 0.00 0.00 176.35 173.49 2k5s n TYR 55 N 5.05 0.00 0.00 5.38 4.02 -1.26 -5.03 117.16 125.32 2k5s n TYR 55 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2k5s n TYR 55 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2k5s n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2k5s n ASP 56 N 0.00 0.00 0.00 7.72 2.03 -1.26 -5.06 116.55 119.98 2k5s n ASP 56 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k5s n ASP 56 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k5s n ASP 56 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k5s n LYS 57 N 0.00 0.00 -5.15 -0.67 5.02 -1.26 -5.16 118.16 110.94 2k5s n LYS 57 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2k5s n LYS 57 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 2k5s n LYS 57 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k5s s ILE 58 N 0.00 1.84 0.87 -0.18 1.09 -1.26 -5.14 121.20 118.42 2k5s s ILE 58 Ca 0.00 -0.98 -0.14 0.00 -1.10 0.00 0.00 60.65 58.43 2k5s s ILE 58 Cb 0.00 -1.54 0.01 0.00 -1.06 0.00 0.00 42.46 39.87 2k5s s ILE 58 CO 0.00 0.52 0.44 -2.65 -0.10 0.00 0.00 174.94 173.15 2k5s n PRO 59 N 2.64 -0.06 0.13 2.79 -0.02 -1.26 -4.84 135.00 134.38 2k5s n PRO 59 Ca -0.16 0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.45 2k5s n PRO 59 Cb 0.52 -1.84 0.49 0.00 -0.02 0.00 0.00 33.50 32.65 2k5s n PRO 59 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k5s n PRO 60 N -1.28 0.15 -0.15 0.52 -0.04 -1.26 -3.02 135.00 129.91 2k5s n PRO 60 Ca 0.08 0.51 -0.05 0.00 -0.04 0.00 0.00 63.50 64.00 2k5s n PRO 60 Cb 0.52 -1.87 0.04 0.00 -0.04 0.00 0.00 33.50 32.16 2k5s n PRO 60 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k5s h THR 61 N 0.00 0.96 0.11 0.52 2.02 -2.03 -3.23 112.91 111.27 2k5s h THR 61 Ca 0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2k5s h THR 61 Cb 0.18 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2k5s h THR 61 CO 0.00 0.09 -0.05 0.58 0.37 0.00 0.00 175.52 176.50 2k5s h VAL 62 N 0.47 0.93 0.00 3.16 2.07 -1.90 -2.98 116.25 118.00 2k5s h VAL 62 Ca 0.21 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2k5s h VAL 62 Cb 0.11 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2k5s h VAL 62 CO -0.14 0.03 0.15 0.79 0.02 0.00 0.00 177.57 178.42 2k5s n TRP 63 N -5.13 0.46 0.04 1.57 5.03 -1.22 0.20 117.44 118.39 2k5s n TRP 63 Ca -0.08 0.24 -0.03 0.00 3.03 0.00 0.00 57.50 60.66 2k5s n TRP 63 Cb 0.11 -0.77 -0.08 0.00 -1.03 0.00 0.00 31.31 29.53 2k5s n TRP 63 CO 0.00 0.00 0.00 1.96 -0.03 0.00 0.00 177.69 179.62 2k5s h GLN 64 N 0.00 0.00 0.00 -0.99 4.20 -1.64 -3.41 115.11 113.27 2k5s h GLN 64 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2k5s h GLN 64 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2k5s h GLN 64 CO 0.00 0.48 -1.25 0.72 -0.67 0.00 0.00 178.83 178.11 2k5s n HIS 65 N -3.05 0.00 -3.66 2.96 8.25 0.27 -5.04 115.22 114.96 2k5s n HIS 65 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.17 2k5s n HIS 65 Cb 0.89 -0.46 0.04 0.00 1.12 0.00 0.00 29.99 31.58 2k5s n HIS 65 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k5s n VAL 66 N -3.98 -4.62 0.00 1.59 0.31 0.53 -4.80 118.33 107.37 2k5s n VAL 66 Ca -0.21 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2k5s n VAL 66 Cb 0.52 -3.98 0.00 0.00 -0.91 0.00 0.00 33.84 29.47 2k5s n VAL 66 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k5s n LYS 67 N -4.28 0.00 -1.65 5.55 5.02 -1.26 -5.01 118.16 116.53 2k5s n LYS 67 Ca -0.27 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.63 2k5s n LYS 67 Cb 0.67 -0.01 0.05 0.00 -0.02 0.00 0.00 35.03 35.72 2k5s n LYS 67 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2k5s n HIS 68 N -2.47 1.27 -3.89 2.13 8.25 -1.26 -4.99 115.22 114.26 2k5s n HIS 68 Ca 0.00 0.45 0.01 0.00 -0.26 0.00 0.00 57.72 57.92 2k5s n HIS 68 Cb 0.00 -2.21 0.01 0.00 1.12 0.00 0.00 29.99 28.91 2k5s n HIS 68 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k5s n HIS 69 N -1.43 -0.55 -3.65 4.41 1.44 -1.26 -5.09 115.22 109.09 2k5s n HIS 69 Ca 0.13 -0.60 -0.13 0.00 -2.01 0.00 0.00 57.72 55.11 2k5s n HIS 69 Cb 0.46 0.28 -0.08 0.00 0.12 0.00 0.00 29.99 30.77 2k5s n HIS 69 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5s s HIS 70 N -2.67 -0.79 0.80 -1.40 3.76 -1.26 -5.17 115.29 108.56 2k5s s HIS 70 Ca 0.19 1.84 -0.12 0.00 -0.15 0.00 0.00 55.06 56.82 2k5s s HIS 70 Cb -0.01 0.32 0.07 0.00 1.11 0.00 0.00 32.58 34.07 2k5s s HIS 70 CO 0.01 -0.38 1.11 -1.01 -0.85 0.00 0.00 174.74 173.61 2k5s s HIS 71 N 0.60 2.88 -0.16 1.40 3.76 -1.26 -5.08 115.29 117.42 2k5s s HIS 71 Ca -0.02 1.07 -0.32 0.00 -0.15 0.00 0.00 55.06 55.63 2k5s s HIS 71 Cb -0.05 -3.17 0.14 0.00 1.11 0.00 0.00 32.58 30.60 2k5s s HIS 71 CO -0.03 -1.76 1.13 -3.38 -0.85 0.00 0.00 174.74 169.85 2k5s s HIS 72 N -3.23 -0.20 -1.56 1.40 -3.43 -1.26 -5.37 115.29 101.64 2k5s s HIS 72 Ca 0.61 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 55.06 2k5s s HIS 72 Cb -0.14 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2k5s s HIS 72 CO 0.53 -0.27 0.39 1.58 -2.00 0.00 0.00 174.74 174.97