#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb5 s PRO 2 N 0.00 0.37 0.00 2.89 0.04 -1.26 -4.90 135.00 132.14 2kb5 s PRO 2 Ca 0.00 0.50 0.15 0.00 0.04 0.00 0.00 61.00 61.69 2kb5 s PRO 2 Cb 0.00 -1.73 0.81 0.00 0.04 0.00 0.00 34.50 33.62 2kb5 s PRO 2 CO 0.00 -2.77 1.38 -0.35 0.04 0.00 0.00 177.00 175.30 2kb5 n PRO 3 N -4.20 0.30 0.00 0.56 -0.04 -1.26 -1.80 135.00 128.56 2kb5 n PRO 3 Ca 0.05 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 2kb5 n PRO 3 Cb 0.57 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2kb5 n PRO 3 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kb5 n GLN 4 N -1.19 1.54 -3.97 0.54 6.02 -1.26 -4.98 117.38 114.08 2kb5 n GLN 4 Ca 0.09 -1.15 -0.09 0.00 -0.01 0.00 0.00 57.00 55.84 2kb5 n GLN 4 Cb 0.10 -1.30 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kb5 s PHE 5 N -1.70 0.28 0.32 1.08 0.08 -0.75 -5.10 117.98 112.20 2kb5 s PHE 5 Ca 0.17 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2kb5 s PHE 5 Cb 0.14 -0.20 0.06 0.00 -0.57 0.00 0.00 43.02 42.44 2kb5 s PHE 5 CO 0.32 -0.36 0.44 0.25 -0.10 0.00 0.00 175.22 175.77 2kb5 n THR 6 N 0.65 0.00 0.11 0.64 -2.24 -1.26 -4.20 114.28 107.97 2kb5 n THR 6 Ca -0.18 -0.78 -0.04 0.00 -2.27 0.00 0.00 64.05 60.78 2kb5 n THR 6 Cb 0.59 -1.05 0.05 0.00 -2.10 0.00 0.00 70.33 67.82 2kb5 n THR 6 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2kb5 h ARG 7 N 0.00 0.00 0.00 -0.78 3.08 -1.95 -2.86 114.38 111.87 2kb5 h ARG 7 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2kb5 h ARG 7 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2kb5 h ARG 7 CO 0.17 0.77 -0.14 0.00 -1.07 0.00 0.00 179.97 179.71 2kb5 h ALA 8 N 1.23 0.00 -1.17 0.04 0.00 -1.95 -3.06 119.26 114.34 2kb5 h ALA 8 Ca -0.01 -0.28 0.34 0.00 0.00 0.00 0.00 54.91 54.96 2kb5 h ALA 8 Cb 1.37 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 2kb5 h ALA 8 CO 0.10 0.14 0.93 -0.56 0.00 0.00 0.00 179.25 179.86 2kb5 h GLN 9 N -0.33 0.00 0.00 0.00 -0.00 -1.88 1.34 115.11 114.23 2kb5 h GLN 9 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 2kb5 h GLN 9 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.59 2kb5 h GLN 9 CO 0.00 0.00 -1.03 2.35 -0.00 0.00 0.00 178.83 180.15 2kb5 h TRP 10 N 0.00 0.00 0.02 0.06 -0.00 -1.67 -3.23 115.95 111.13 2kb5 h TRP 10 Ca 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.44 2kb5 h TRP 10 Cb 2.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.57 2kb5 h TRP 10 CO 0.00 0.81 -0.01 0.35 -0.00 0.00 0.00 178.44 179.59 2kb5 h PHE 11 N 0.00 -0.02 0.00 2.65 3.04 0.19 -2.36 116.94 120.43 2kb5 h PHE 11 Ca -0.07 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 2kb5 h PHE 11 Cb 1.68 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.19 2kb5 h PHE 11 CO 0.00 -0.01 -0.27 0.00 -2.02 0.00 0.00 178.31 176.01 2kb5 h ALA 12 N 0.96 1.35 -0.94 2.41 0.00 -1.63 0.38 119.26 121.78 2kb5 h ALA 12 Ca -0.00 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.78 2kb5 h ALA 12 Cb 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2kb5 h ALA 12 CO 0.00 0.34 0.60 0.82 0.00 0.00 0.00 179.25 181.02 2kb5 h ILE 13 N 0.00 0.91 0.00 0.00 1.08 -1.44 3.22 117.51 121.29 2kb5 h ILE 13 Ca -0.00 -0.30 -0.29 0.00 -0.39 0.00 0.00 64.86 63.88 2kb5 h ILE 13 Cb 0.56 -0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 2kb5 h ILE 13 CO 0.04 0.16 -2.09 0.00 -0.69 0.00 0.00 178.15 175.57 2kb5 n GLN 14 N -4.57 1.26 0.00 2.37 10.64 -1.07 -4.40 117.38 121.60 2kb5 n GLN 14 Ca 0.17 0.02 0.13 0.00 -1.83 0.00 0.00 57.00 55.49 2kb5 n GLN 14 Cb 0.37 -1.40 0.37 0.00 -0.86 0.00 0.00 30.24 28.72 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2kb5 n HIS 15 N -2.68 0.00 -3.82 2.61 8.25 0.13 -4.22 115.22 115.50 2kb5 n HIS 15 Ca -0.27 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.05 2kb5 n HIS 15 Cb 0.99 -0.12 -0.15 0.00 1.12 0.00 0.00 29.99 31.83 2kb5 n HIS 15 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2kb5 s ILE 16 N -2.49 -0.03 -0.30 1.59 1.01 1.07 -0.23 121.20 121.82 2kb5 s ILE 16 Ca 0.24 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 2kb5 s ILE 16 Cb 0.19 -0.06 0.19 0.00 0.01 0.00 0.00 42.46 42.79 2kb5 s ILE 16 CO 0.52 0.04 0.71 -0.44 0.00 0.00 0.00 174.94 175.77 2kb5 s SER 17 N 0.50 -1.16 -0.00 3.58 0.01 -0.58 -4.15 113.70 111.90 2kb5 s SER 17 Ca -0.04 0.70 -0.24 0.00 1.31 0.00 0.00 55.95 57.67 2kb5 s SER 17 Cb -0.06 1.96 -0.17 0.00 0.21 0.00 0.00 66.02 67.97 2kb5 s SER 17 CO -0.02 -0.22 1.17 -0.07 0.41 0.00 0.00 173.24 174.52 2kb5 h LEU 18 N 7.99 -0.28 -5.47 2.44 3.38 -1.86 -3.34 115.31 118.17 2kb5 h LEU 18 Ca -0.20 -0.23 -0.58 0.00 0.09 0.00 0.00 57.88 56.97 2kb5 h LEU 18 Cb 1.16 0.07 -0.42 0.00 0.09 0.00 0.00 40.66 41.57 2kb5 h LEU 18 CO 0.16 0.12 -0.71 -0.46 0.09 0.00 0.00 178.44 177.64 2kb5 n ASN 19 N -5.07 3.91 -4.69 -0.43 0.23 -1.26 -4.91 115.26 103.05 2kb5 n ASN 19 Ca -0.09 -3.57 -0.42 0.00 -0.53 0.00 0.00 54.58 49.97 2kb5 n ASN 19 Cb 0.26 -0.58 -0.03 0.00 -2.08 0.00 0.00 39.78 37.35 2kb5 n ASN 19 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kb5 s PRO 20 N -3.23 4.28 0.00 -0.53 0.04 -1.26 -5.03 135.00 129.27 2kb5 s PRO 20 Ca 0.47 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2kb5 s PRO 20 Cb 0.28 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2kb5 s PRO 20 CO -0.12 -0.57 0.00 -0.35 0.04 0.00 0.00 177.00 176.00 2kb5 n PRO 21 N 5.17 1.19 -1.70 0.56 -0.04 -1.26 -4.84 135.00 134.09 2kb5 n PRO 21 Ca 0.13 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 2kb5 n PRO 21 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 2kb5 n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kb5 s ARG 22 N 0.00 2.99 0.16 0.54 1.81 -1.26 -4.62 118.95 118.57 2kb5 s ARG 22 Ca 0.00 1.75 0.06 0.00 -1.72 0.00 0.00 55.73 55.82 2kb5 s ARG 22 Cb 0.00 -4.37 0.52 0.00 -0.45 0.00 0.00 34.95 30.65 2kb5 s ARG 22 CO 0.00 -2.27 0.75 0.00 -0.68 0.00 0.00 175.30 173.10 2kb5 h THR 24 N 0.00 0.23 0.08 0.00 2.02 -1.87 -1.88 112.91 111.49 2kb5 h THR 24 Ca 0.35 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 67.17 2kb5 h THR 24 Cb 0.86 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2kb5 h THR 24 CO -0.40 0.00 -2.05 -0.38 0.37 0.00 0.00 175.52 173.06 2kb5 n ILE 25 N -5.43 1.69 -0.33 3.11 5.41 0.43 -4.28 119.36 119.97 2kb5 n ILE 25 Ca 0.03 -0.56 0.25 0.00 1.00 0.00 0.00 62.75 63.47 2kb5 n ILE 25 Cb 0.34 -1.71 0.47 0.00 -0.71 0.00 0.00 39.64 38.04 2kb5 n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kb5 h ALA 26 N -0.04 1.80 -0.18 -1.39 0.00 -0.19 2.00 119.26 121.26 2kb5 h ALA 26 Ca -0.46 0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2kb5 h ALA 26 Cb 1.92 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2kb5 h ALA 26 CO 0.00 -0.78 0.11 -1.33 0.00 0.00 0.00 179.25 177.26 2kb5 n MET 27 N -5.31 1.29 -0.06 0.00 2.81 -0.72 -4.15 117.12 110.99 2kb5 n MET 27 Ca 0.32 -0.58 -0.03 0.00 -1.81 0.00 0.00 57.70 55.60 2kb5 n MET 27 Cb 1.07 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 32.29 2kb5 n MET 27 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2kb5 h ARG 28 N 0.25 0.00 0.07 0.03 0.11 0.30 -3.19 114.38 111.96 2kb5 h ARG 28 Ca 0.11 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.93 2kb5 h ARG 28 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2kb5 h ARG 28 CO 0.20 0.15 -1.27 0.00 0.10 0.00 0.00 179.97 179.15 2kb5 h ALA 29 N -0.87 0.27 0.00 0.08 0.00 -1.76 -3.03 119.26 113.96 2kb5 h ALA 29 Ca -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 54.91 53.85 2kb5 h ALA 29 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kb5 h ALA 29 CO -0.01 1.15 -0.24 0.82 0.00 0.00 0.00 179.25 180.97 2kb5 h ILE 30 N 0.04 1.17 0.00 0.00 1.08 -1.77 -2.11 117.51 115.92 2kb5 h ILE 30 Ca -0.13 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2kb5 h ILE 30 Cb 1.92 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 2kb5 h ILE 30 CO 0.16 0.24 -0.66 0.78 -0.69 0.00 0.00 178.15 177.98 2kb5 h ASN 31 N 0.00 0.00 -0.41 1.72 2.35 -1.61 -3.34 115.58 114.29 2kb5 h ASN 31 Ca -0.00 -0.08 0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2kb5 h ASN 31 Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 2kb5 h ASN 31 CO 0.03 0.04 0.79 -1.13 -1.65 0.00 0.00 177.43 175.52 2kb5 h ASN 32 N 0.00 0.00 -0.24 5.81 -1.24 -1.24 0.46 115.58 119.12 2kb5 h ASN 32 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2kb5 h ASN 32 Cb 0.89 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.93 2kb5 h ASN 32 CO 0.00 0.00 -0.04 0.10 -1.29 0.00 0.00 177.43 176.20 2kb5 h TYR 33 N 0.00 0.49 -5.48 0.67 -0.00 -1.74 -3.45 116.97 107.46 2kb5 h TYR 33 Ca 0.19 -0.10 -0.40 0.00 -0.00 0.00 0.00 58.73 58.42 2kb5 h TYR 33 Cb 1.78 -0.12 0.06 0.00 -0.00 0.00 0.00 36.73 38.45 2kb5 h TYR 33 CO 0.00 0.65 0.06 2.89 -0.00 0.00 0.00 178.16 181.76 2kb5 n ARG 34 N -4.60 0.15 -0.00 0.10 -4.01 0.16 -4.51 116.66 103.96 2kb5 n ARG 34 Ca -0.04 -2.43 0.01 0.00 -1.04 0.00 0.00 57.85 54.35 2kb5 n ARG 34 Cb 0.27 -0.48 -0.02 0.00 -3.04 0.00 0.00 32.46 29.20 2kb5 n ARG 34 CO 0.00 0.00 0.00 1.87 -3.04 0.00 0.00 177.63 176.46 2kb5 n TRP 35 N -2.52 0.00 -5.20 2.89 -0.00 -1.26 -4.98 117.44 106.37 2kb5 n TRP 35 Ca 0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 57.50 57.33 2kb5 n TRP 35 Cb 0.51 -0.05 -0.16 0.00 -0.00 0.00 0.00 31.31 31.61 2kb5 n TRP 35 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2kb5 s ARG 36 N -2.13 2.47 0.08 5.87 3.00 -1.26 -4.75 118.95 122.23 2kb5 s ARG 36 Ca -0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 55.73 54.52 2kb5 s ARG 36 Cb 0.01 -2.18 -0.13 0.00 0.00 0.00 0.00 34.95 32.65 2kb5 s ARG 36 CO 0.08 0.45 1.72 0.00 0.00 0.00 0.00 175.30 177.55 2kb5 s LYS 38 N 2.17 2.62 -0.00 0.00 -0.14 -1.26 -4.76 119.74 118.37 2kb5 s LYS 38 Ca 0.83 1.72 -0.25 0.00 -1.36 0.00 0.00 55.97 56.91 2kb5 s LYS 38 Cb -0.64 -1.90 -0.19 0.00 -1.68 0.00 0.00 37.83 33.42 2kb5 s LYS 38 CO 0.42 -1.46 1.35 -0.91 -0.76 0.00 0.00 175.35 173.99 2kb5 h ASN 39 N 0.27 -0.00 -5.18 2.83 4.21 -1.95 -3.43 115.58 112.34 2kb5 h ASN 39 Ca -0.49 -0.40 -0.06 0.00 1.21 0.00 0.00 56.30 56.56 2kb5 h ASN 39 Cb 1.29 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 38.38 2kb5 h ASN 39 CO 0.53 0.40 -0.16 -1.10 -1.29 0.00 0.00 177.43 175.81 2kb5 s GLN 40 N -4.61 1.27 0.15 0.81 -0.21 -1.26 -0.80 119.66 115.01 2kb5 s GLN 40 Ca -0.15 -1.04 -0.25 0.00 0.02 0.00 0.00 55.36 53.94 2kb5 s GLN 40 Cb 0.02 0.45 0.06 0.00 1.00 0.00 0.00 33.01 34.54 2kb5 s GLN 40 CO 0.67 -0.50 0.91 1.21 -2.12 0.00 0.00 175.29 175.46 2kb5 s ASN 41 N -2.93 -0.23 -0.04 5.90 2.47 -1.15 -4.99 114.94 113.98 2kb5 s ASN 41 Ca 0.14 -0.36 -0.02 0.00 0.42 0.00 0.00 52.86 53.04 2kb5 s ASN 41 Cb 0.01 0.51 0.03 0.00 -1.45 0.00 0.00 41.25 40.35 2kb5 s ASN 41 CO -0.01 -0.92 0.06 -0.89 -3.72 0.00 0.00 177.10 171.62 2kb5 s THR 42 N -3.35 -0.11 -0.47 -5.21 2.01 -1.26 -1.61 115.64 105.64 2kb5 s THR 42 Ca 0.11 0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 2kb5 s THR 42 Cb -0.02 -0.15 0.08 0.00 0.01 0.00 0.00 72.50 72.42 2kb5 s THR 42 CO 0.01 0.17 0.38 -0.36 -0.69 0.00 0.00 174.62 174.13 2kb5 s PHE 43 N 2.10 3.26 -0.13 4.92 0.08 0.14 -4.23 117.98 124.12 2kb5 s PHE 43 Ca 0.04 -1.04 -0.28 0.00 0.12 0.00 0.00 56.93 55.77 2kb5 s PHE 43 Cb -0.12 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.15 2kb5 s PHE 43 CO -0.03 -0.82 0.97 -0.51 -0.10 0.00 0.00 175.22 174.73 2kb5 s LEU 44 N 1.61 4.22 -1.26 -0.37 1.43 0.68 0.22 118.68 125.21 2kb5 s LEU 44 Ca 0.04 1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 54.38 2kb5 s LEU 44 Cb -0.24 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2kb5 s LEU 44 CO 0.06 -0.45 1.85 0.54 0.23 0.00 0.00 176.35 178.57 2kb5 n ARG 45 N 5.15 2.67 -3.47 1.70 1.74 -0.65 -1.52 116.66 122.28 2kb5 n ARG 45 Ca 0.08 -2.93 -0.11 0.00 -0.77 0.00 0.00 57.85 54.11 2kb5 n ARG 45 Cb 0.49 -3.51 -0.02 0.00 -1.02 0.00 0.00 32.46 28.39 2kb5 n ARG 45 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kb5 s THR 46 N 5.95 0.00 0.52 0.55 -1.32 -1.26 -4.65 115.64 115.43 2kb5 s THR 46 Ca 0.57 -0.09 -0.10 0.00 -1.21 0.00 0.00 61.69 60.86 2kb5 s THR 46 Cb 0.04 -1.10 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 2kb5 s THR 46 CO 0.08 0.00 0.90 -0.89 -2.21 0.00 0.00 174.62 172.50 2kb5 s THR 47 N -3.67 4.75 0.37 5.08 2.01 -1.26 -4.62 115.64 118.31 2kb5 s THR 47 Ca 0.03 0.70 0.04 0.00 0.31 0.00 0.00 61.69 62.76 2kb5 s THR 47 Cb -0.01 -3.81 0.27 0.00 0.01 0.00 0.00 72.50 68.95 2kb5 s THR 47 CO -0.11 -0.86 2.03 0.15 -0.69 0.00 0.00 174.62 175.14 2kb5 h PHE 48 N 0.37 0.69 -0.44 4.92 3.57 -1.99 -2.32 116.94 121.75 2kb5 h PHE 48 Ca -0.46 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2kb5 h PHE 48 Cb 1.19 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2kb5 h PHE 48 CO 0.62 0.43 0.23 0.00 -2.23 0.00 0.00 178.31 177.37 2kb5 h ALA 49 N 1.66 0.56 0.00 2.41 0.00 -2.00 -0.65 119.26 121.24 2kb5 h ALA 49 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kb5 h ALA 49 Cb -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2kb5 h ALA 49 CO -0.05 0.10 -0.02 -0.91 0.00 0.00 0.00 179.25 178.37 2kb5 h ASN 50 N 0.57 0.00 0.12 0.00 2.35 -1.81 -2.67 115.58 114.14 2kb5 h ASN 50 Ca 0.15 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.67 2kb5 h ASN 50 Cb 0.07 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.45 2kb5 h ASN 50 CO -0.02 0.02 -1.14 0.58 -1.65 0.00 0.00 177.43 175.22 2kb5 h VAL 51 N 0.00 1.24 -0.87 2.81 2.07 -1.01 -3.31 116.25 117.19 2kb5 h VAL 51 Ca -0.00 -2.45 0.04 0.00 0.82 0.00 0.00 66.70 65.11 2kb5 h VAL 51 Cb 0.29 2.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 2kb5 h VAL 51 CO 0.00 0.70 0.57 0.58 0.02 0.00 0.00 177.57 179.44 2kb5 h VAL 52 N -0.36 1.13 0.00 2.57 2.07 -0.90 -0.68 116.25 120.08 2kb5 h VAL 52 Ca -0.23 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2kb5 h VAL 52 Cb 1.69 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2kb5 h VAL 52 CO 0.09 0.19 -0.13 -1.13 0.02 0.00 0.00 177.57 176.61 2kb5 h ASN 53 N 1.06 0.00 0.92 0.57 -1.24 -1.61 -1.58 115.58 113.71 2kb5 h ASN 53 Ca 0.35 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.30 2kb5 h ASN 53 Cb 0.06 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 2kb5 h ASN 53 CO -0.11 0.13 -0.27 0.58 -1.29 0.00 0.00 177.43 176.48 2kb5 h VAL 54 N 0.00 0.64 0.00 2.57 2.07 -1.20 -2.83 116.25 117.49 2kb5 h VAL 54 Ca -0.00 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.19 2kb5 h VAL 54 Cb 0.30 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2kb5 h VAL 54 CO 0.02 0.26 -0.43 0.00 0.02 0.00 0.00 177.57 177.44 2kb5 n GLY 56 N 0.61 -1.23 3.89 0.00 0.00 -1.07 -4.82 105.19 102.57 2kb5 n GLY 56 Ca 0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2kb5 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kb5 s ASN 57 N -2.48 5.38 -0.50 1.61 0.01 -1.12 -4.90 114.94 112.94 2kb5 s ASN 57 Ca 0.32 1.02 -0.37 0.00 -0.71 0.00 0.00 52.86 53.12 2kb5 s ASN 57 Cb 0.21 -1.82 -0.15 0.00 0.41 0.00 0.00 41.25 39.90 2kb5 s ASN 57 CO 0.45 -1.35 2.27 1.67 -1.51 0.00 0.00 177.10 178.62 2kb5 n GLN 58 N -2.96 0.57 -1.09 -0.60 0.00 -1.26 -4.88 117.38 107.15 2kb5 n GLN 58 Ca 0.07 0.13 -0.31 0.00 -0.00 0.00 0.00 57.00 56.89 2kb5 n GLN 58 Cb 0.58 -2.08 0.11 0.00 0.00 0.00 0.00 30.24 28.85 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kb5 s SER 59 N 7.50 4.03 0.33 1.69 1.04 -1.26 -4.65 113.70 122.38 2kb5 s SER 59 Ca 1.16 1.93 0.02 0.00 0.48 0.00 0.00 55.95 59.54 2kb5 s SER 59 Cb -1.07 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 62.50 2kb5 s SER 59 CO 0.53 -2.35 0.36 0.27 0.98 0.00 0.00 173.24 173.02 2kb5 s ILE 60 N -2.83 0.00 -0.13 -1.02 -4.36 -0.98 -5.02 121.20 106.86 2kb5 s ILE 60 Ca 0.63 -1.81 -0.26 0.00 -0.26 0.00 0.00 60.65 58.94 2kb5 s ILE 60 Cb -0.19 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.94 2kb5 s ILE 60 CO 0.57 0.00 0.86 0.00 0.24 0.00 0.00 174.94 176.60 2kb5 s ARG 61 N -3.31 4.36 0.35 0.37 3.03 -1.26 -4.06 118.95 118.43 2kb5 s ARG 61 Ca 0.36 1.10 -0.26 0.00 2.03 0.00 0.00 55.73 58.96 2kb5 s ARG 61 Cb 0.01 -3.54 -0.09 0.00 -1.03 0.00 0.00 34.95 30.30 2kb5 s ARG 61 CO 0.23 -0.24 1.11 0.00 -1.13 0.00 0.00 175.30 175.27 2kb5 h PRO 63 N 3.04 0.14 0.00 0.00 0.13 -1.96 -2.81 132.00 130.55 2kb5 h PRO 63 Ca -0.48 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2kb5 h PRO 63 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kb5 h PRO 63 CO 0.64 0.59 -0.07 0.45 -0.23 0.00 0.00 178.00 179.38 2kb5 h HIS 64 N 0.12 0.00 -2.55 1.56 3.86 -1.94 -3.39 115.15 112.81 2kb5 h HIS 64 Ca 0.01 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.84 2kb5 h HIS 64 Cb 0.88 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 28.98 2kb5 h HIS 64 CO 0.01 0.07 -0.67 -0.80 0.86 0.00 0.00 177.93 177.39 2kb5 s ASN 65 N -5.80 1.97 0.00 2.45 -0.87 -1.06 -4.99 114.94 106.64 2kb5 s ASN 65 Ca -0.02 -0.60 0.08 0.00 -1.57 0.00 0.00 52.86 50.76 2kb5 s ASN 65 Cb 0.11 0.20 0.49 0.00 -0.02 0.00 0.00 41.25 42.03 2kb5 s ASN 65 CO 0.54 -0.37 1.20 -2.11 -2.57 0.00 0.00 177.10 173.80 2kb5 n ARG 66 N 5.30 0.87 -0.00 -0.60 1.85 -1.25 -2.70 116.66 120.12 2kb5 n ARG 66 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2kb5 n ARG 66 Cb 0.47 -1.15 -0.00 0.00 -1.05 0.00 0.00 32.46 30.73 2kb5 n ARG 66 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2kb5 n THR 67 N -0.65 0.00 -4.94 8.89 5.66 -1.26 -5.01 114.28 116.97 2kb5 n THR 67 Ca 0.06 -0.19 -0.29 0.00 -3.05 0.00 0.00 64.05 60.58 2kb5 n THR 67 Cb 0.03 0.68 -0.17 0.00 -1.55 0.00 0.00 70.33 69.32 2kb5 n THR 67 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kb5 s LEU 68 N -2.64 1.92 -0.61 1.09 2.96 -1.10 -5.06 118.68 115.24 2kb5 s LEU 68 Ca -0.00 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 2kb5 s LEU 68 Cb 0.00 -1.20 0.24 0.00 0.50 0.00 0.00 46.19 45.74 2kb5 s LEU 68 CO 0.01 0.11 0.69 -0.46 -1.32 0.00 0.00 176.35 175.38 2kb5 n ASN 69 N 3.68 3.15 -1.44 3.68 6.94 -1.26 -3.36 115.26 126.64 2kb5 n ASN 69 Ca -0.20 -3.31 -0.11 0.00 -0.02 0.00 0.00 54.58 50.94 2kb5 n ASN 69 Cb 0.52 -0.67 0.15 0.00 -2.36 0.00 0.00 39.78 37.42 2kb5 n ASN 69 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2kb5 n ASN 70 N 1.04 3.45 -4.18 0.53 0.23 -1.26 -4.72 115.26 110.34 2kb5 n ASN 70 Ca 0.28 -3.80 -0.17 0.00 -0.53 0.00 0.00 54.58 50.37 2kb5 n ASN 70 Cb 0.42 -0.61 -0.11 0.00 -2.08 0.00 0.00 39.78 37.40 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb5 s HIS 72 N -1.84 1.60 -0.04 0.00 3.76 -1.22 -2.32 115.29 115.22 2kb5 s HIS 72 Ca 0.02 -0.41 -0.20 0.00 -0.15 0.00 0.00 55.06 54.32 2kb5 s HIS 72 Cb -0.07 -1.07 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 2kb5 s HIS 72 CO 0.02 -0.12 0.57 0.50 -0.85 0.00 0.00 174.74 174.86 2kb5 s ARG 73 N -0.08 4.32 0.20 1.40 3.52 -1.26 -3.36 118.95 123.69 2kb5 s ARG 73 Ca -0.01 0.67 -0.32 0.00 -0.13 0.00 0.00 55.73 55.94 2kb5 s ARG 73 Cb -0.10 -3.38 -0.14 0.00 -1.56 0.00 0.00 34.95 29.77 2kb5 s ARG 73 CO 0.01 0.28 1.34 0.45 -0.81 0.00 0.00 175.30 176.57 2kb5 n SER 74 N 3.10 2.25 0.13 -2.12 2.88 -1.13 -4.88 113.62 113.84 2kb5 n SER 74 Ca -0.06 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.59 2kb5 n SER 74 Cb 0.51 -1.34 0.14 0.00 -0.75 0.00 0.00 64.21 62.77 2kb5 n SER 74 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kb5 h ARG 75 N 4.09 0.00 -6.27 -1.46 0.11 -1.95 -3.45 114.38 105.46 2kb5 h ARG 75 Ca -0.45 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.03 2kb5 h ARG 75 Cb 1.30 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.24 2kb5 h ARG 75 CO 0.75 0.66 -0.75 -0.59 0.10 0.00 0.00 179.97 180.14 2kb5 s PHE 76 N -3.49 2.37 -0.13 4.08 -0.71 -1.26 -5.12 117.98 113.73 2kb5 s PHE 76 Ca -0.01 -0.31 -0.19 0.00 -1.04 0.00 0.00 56.93 55.38 2kb5 s PHE 76 Cb 0.12 -1.05 -0.04 0.00 -1.21 0.00 0.00 43.02 40.84 2kb5 s PHE 76 CO 0.77 0.67 0.50 1.03 -1.34 0.00 0.00 175.22 176.85 2kb5 s ARG 77 N -3.41 4.33 0.13 1.99 0.52 -1.26 -4.59 118.95 116.65 2kb5 s ARG 77 Ca 0.29 0.48 0.08 0.00 -0.52 0.00 0.00 55.73 56.07 2kb5 s ARG 77 Cb -0.06 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 2kb5 s ARG 77 CO 0.15 0.10 -0.20 0.14 0.02 0.00 0.00 175.30 175.51 2kb5 s VAL 78 N 0.80 1.77 -0.50 3.52 -7.23 -1.14 -4.85 120.40 112.77 2kb5 s VAL 78 Ca 0.27 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.48 2kb5 s VAL 78 Cb -0.15 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 2kb5 s VAL 78 CO 0.11 -0.15 1.79 -2.16 -0.31 0.00 0.00 175.10 174.39 2kb5 s PRO 79 N -2.23 2.94 0.57 4.82 0.04 -1.26 -2.22 135.00 137.66 2kb5 s PRO 79 Ca 0.10 0.90 0.04 0.00 0.04 0.00 0.00 61.00 62.08 2kb5 s PRO 79 Cb -0.08 -4.29 0.07 0.00 0.04 0.00 0.00 34.50 30.23 2kb5 s PRO 79 CO 0.05 -2.34 0.79 -0.48 0.04 0.00 0.00 177.00 175.06 2kb5 s LEU 80 N 8.02 3.24 -0.02 -3.56 0.05 0.14 -1.64 118.68 124.90 2kb5 s LEU 80 Ca 0.70 -0.41 0.02 0.00 0.05 0.00 0.00 54.13 54.49 2kb5 s LEU 80 Cb -0.16 -2.28 0.01 0.00 -2.05 0.00 0.00 46.19 41.71 2kb5 s LEU 80 CO 0.26 -1.29 -0.07 -0.22 -0.55 0.00 0.00 176.35 174.48 2kb5 s LEU 81 N -4.74 1.72 -0.14 1.48 1.98 0.13 -2.03 118.68 117.07 2kb5 s LEU 81 Ca 0.60 -0.15 -0.06 0.00 -2.89 0.00 0.00 54.13 51.64 2kb5 s LEU 81 Cb -0.08 -0.45 -0.04 0.00 0.66 0.00 0.00 46.19 46.28 2kb5 s LEU 81 CO 0.39 0.03 0.05 -1.00 -1.89 0.00 0.00 176.35 173.94 2kb5 s HIS 82 N 0.30 3.28 -0.47 5.38 3.76 -0.66 0.26 115.29 127.14 2kb5 s HIS 82 Ca -0.04 0.17 0.06 0.00 -0.15 0.00 0.00 55.06 55.10 2kb5 s HIS 82 Cb -0.09 -1.97 0.23 0.00 1.11 0.00 0.00 32.58 31.86 2kb5 s HIS 82 CO 0.00 0.34 0.52 0.00 -0.85 0.00 0.00 174.74 174.75 2kb5 s ASP 84 N -1.15 7.29 -0.19 0.00 2.15 -1.16 -2.92 116.67 120.69 2kb5 s ASP 84 Ca 0.35 1.53 -0.29 0.00 0.43 0.00 0.00 52.55 54.57 2kb5 s ASP 84 Cb 0.12 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 2kb5 s ASP 84 CO -0.12 0.13 1.89 -0.22 -0.17 0.00 0.00 175.17 176.69 2kb5 s LEU 85 N -0.68 3.81 -0.02 -1.34 2.96 0.02 0.14 118.68 123.57 2kb5 s LEU 85 Ca 0.36 1.86 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 2kb5 s LEU 85 Cb -0.22 -3.52 0.10 0.00 0.50 0.00 0.00 46.19 43.05 2kb5 s LEU 85 CO 0.24 -1.50 0.89 -0.38 -1.32 0.00 0.00 176.35 174.28 2kb5 n ILE 86 N 6.80 0.25 -3.58 6.68 5.41 -0.80 -4.39 119.36 129.73 2kb5 n ILE 86 Ca 0.23 -0.16 -0.28 0.00 1.00 0.00 0.00 62.75 63.53 2kb5 n ILE 86 Cb 0.45 -0.18 -0.12 0.00 -0.71 0.00 0.00 39.64 39.07 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kb5 s ASN 87 N -0.58 2.92 -0.06 4.38 4.22 -1.26 -4.95 114.94 119.60 2kb5 s ASN 87 Ca 0.07 -2.84 -0.30 0.00 -2.14 0.00 0.00 52.86 47.65 2kb5 s ASN 87 Cb 0.05 -0.77 -0.05 0.00 1.28 0.00 0.00 41.25 41.76 2kb5 s ASN 87 CO 0.04 -0.22 1.50 -2.16 -2.04 0.00 0.00 177.10 174.21 2kb5 s PRO 88 N 0.17 4.22 0.00 3.55 0.04 -1.26 -2.63 135.00 139.09 2kb5 s PRO 88 Ca 0.24 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2kb5 s PRO 88 Cb -0.12 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2kb5 s PRO 88 CO -0.09 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2kb5 n GLY 89 N 3.88 0.52 3.86 0.56 0.00 -1.26 -5.09 105.19 107.66 2kb5 n GLY 89 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2kb5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb5 s ALA 90 N -2.00 3.71 -0.46 4.61 0.00 -1.08 -5.04 121.76 121.50 2kb5 s ALA 90 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2kb5 s ALA 90 Cb 0.00 -2.32 0.26 0.00 0.00 0.00 0.00 23.12 21.05 2kb5 s ALA 90 CO 0.00 0.53 0.60 1.04 0.00 0.00 0.00 175.76 177.93 2kb5 n GLN 91 N 1.16 1.26 -3.15 0.00 6.02 -1.26 -4.82 117.38 116.59 2kb5 n GLN 91 Ca -0.10 -3.65 0.05 0.00 -0.01 0.00 0.00 57.00 53.29 2kb5 n GLN 91 Cb 0.52 -1.53 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kb5 s ASN 92 N -1.63 -0.82 0.59 1.08 2.20 -1.26 -4.52 114.94 110.58 2kb5 s ASN 92 Ca 0.37 0.32 0.29 0.00 -0.94 0.00 0.00 52.86 52.89 2kb5 s ASN 92 Cb 0.17 1.61 1.56 0.00 -2.00 0.00 0.00 41.25 42.59 2kb5 s ASN 92 CO -0.08 -0.15 1.86 0.16 -2.94 0.00 0.00 177.10 175.95 2kb5 h ILE 93 N 5.35 0.00 0.00 0.54 3.07 -1.87 1.83 117.51 126.43 2kb5 h ILE 93 Ca -0.12 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 66.19 2kb5 h ILE 93 Cb 1.17 0.64 -0.01 0.00 -0.27 0.00 0.00 36.82 38.35 2kb5 h ILE 93 CO 0.01 0.00 -0.49 0.28 -1.05 0.00 0.00 178.15 176.90 2kb5 h SER 94 N 0.00 0.00 0.00 2.16 0.02 -1.94 -3.30 113.55 110.49 2kb5 h SER 94 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kb5 h SER 94 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2kb5 h SER 94 CO 0.00 0.49 0.00 -3.20 -1.14 0.00 0.00 176.83 172.98 2kb5 n ASN 95 N -3.42 0.74 -4.50 3.07 4.05 0.14 -4.99 115.26 110.35 2kb5 n ASN 95 Ca 0.01 -1.01 -0.43 0.00 0.45 0.00 0.00 54.58 53.60 2kb5 n ASN 95 Cb 0.63 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.60 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb5 s ARG 97 N 3.89 3.68 0.04 0.00 0.52 -1.26 -4.80 118.95 121.02 2kb5 s ARG 97 Ca 0.27 1.07 0.07 0.00 -0.52 0.00 0.00 55.73 56.62 2kb5 s ARG 97 Cb -0.14 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 2kb5 s ARG 97 CO 0.17 -0.50 -0.19 0.71 0.02 0.00 0.00 175.30 175.50 2kb5 s TYR 98 N -2.54 1.67 -0.22 -0.53 2.02 -1.26 -1.90 117.35 114.59 2kb5 s TYR 98 Ca 0.61 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.79 2kb5 s TYR 98 Cb -0.13 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2kb5 s TYR 98 CO 0.34 0.07 0.38 0.00 -1.57 0.00 0.00 175.55 174.77 2kb5 s ALA 99 N -0.79 3.56 -0.10 3.71 0.00 0.12 -4.76 121.76 123.50 2kb5 s ALA 99 Ca 0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 2kb5 s ALA 99 Cb -0.08 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2kb5 s ALA 99 CO 0.02 -0.39 0.59 -0.51 0.00 0.00 0.00 175.76 175.47 2kb5 s ASP 100 N 1.19 6.82 -0.26 0.00 1.01 -1.25 -2.99 116.67 121.18 2kb5 s ASP 100 Ca 0.18 0.99 -0.01 0.00 0.71 0.00 0.00 52.55 54.41 2kb5 s ASP 100 Cb -0.15 -2.35 0.14 0.00 1.01 0.00 0.00 42.92 41.57 2kb5 s ASP 100 CO 0.08 -0.07 0.35 -0.60 0.21 0.00 0.00 175.17 175.14 2kb5 s ARG 101 N 0.79 0.35 0.47 8.23 6.06 -0.99 -4.97 118.95 128.88 2kb5 s ARG 101 Ca 0.31 0.24 -0.23 0.00 -2.50 0.00 0.00 55.73 53.56 2kb5 s ARG 101 Cb -0.16 -0.54 -0.07 0.00 0.06 0.00 0.00 34.95 34.24 2kb5 s ARG 101 CO 0.14 -0.84 1.16 -1.25 -2.50 0.00 0.00 175.30 172.01 2kb5 s PRO 102 N 2.48 3.72 0.29 5.12 0.04 -1.26 -1.65 135.00 143.75 2kb5 s PRO 102 Ca 0.11 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2kb5 s PRO 102 Cb -0.14 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.06 2kb5 s PRO 102 CO -0.23 -0.58 0.75 0.20 0.04 0.00 0.00 177.00 177.18 2kb5 s GLY 103 N -1.40 -0.01 -0.20 0.56 0.00 -0.86 -4.95 107.32 100.46 2kb5 s GLY 103 Ca 0.64 -0.37 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 2kb5 s GLY 103 CO 0.34 -0.09 0.15 -1.60 0.00 0.00 0.00 173.10 171.89 2kb5 s ARG 104 N -3.55 0.13 0.21 2.90 3.52 -1.26 0.23 118.95 121.13 2kb5 s ARG 104 Ca 0.12 -0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.55 2kb5 s ARG 104 Cb -0.05 -1.50 0.05 0.00 -1.56 0.00 0.00 34.95 31.88 2kb5 s ARG 104 CO 0.08 -0.72 0.67 0.54 -0.81 0.00 0.00 175.30 175.06 2kb5 n ARG 105 N 5.29 0.64 -1.98 5.12 1.74 -0.94 -4.83 116.66 121.70 2kb5 n ARG 105 Ca -0.06 -1.34 -0.29 0.00 -0.77 0.00 0.00 57.85 55.39 2kb5 n ARG 105 Cb 0.48 1.73 0.19 0.00 -1.02 0.00 0.00 32.46 33.84 2kb5 n ARG 105 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2kb5 s PHE 106 N -3.56 1.48 -0.13 -1.55 0.08 -1.13 -2.88 117.98 110.30 2kb5 s PHE 106 Ca 0.14 0.24 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 2kb5 s PHE 106 Cb -0.03 -4.10 0.04 0.00 -0.57 0.00 0.00 43.02 38.36 2kb5 s PHE 106 CO 0.06 -2.67 0.34 1.52 -0.10 0.00 0.00 175.22 174.37 2kb5 s TYR 107 N -3.87 -0.40 -0.48 0.36 -0.85 -1.26 0.23 117.35 111.07 2kb5 s TYR 107 Ca 0.75 0.95 -0.16 0.00 -0.52 0.00 0.00 57.07 58.08 2kb5 s TYR 107 Cb -0.03 0.14 0.07 0.00 0.38 0.00 0.00 41.96 42.52 2kb5 s TYR 107 CO 0.53 -0.21 0.44 0.08 -1.52 0.00 0.00 175.55 174.87 2kb5 s VAL 108 N 0.48 5.16 -0.15 -3.49 1.01 0.36 -2.86 120.40 120.91 2kb5 s VAL 108 Ca -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2kb5 s VAL 108 Cb -0.04 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2kb5 s VAL 108 CO -0.02 -0.63 -0.11 0.68 0.00 0.00 0.00 175.10 175.01 2kb5 s VAL 109 N 1.83 3.13 -0.49 2.92 -7.23 -1.21 -0.09 120.40 119.26 2kb5 s VAL 109 Ca 0.06 -0.62 -0.25 0.00 -1.81 0.00 0.00 61.98 59.36 2kb5 s VAL 109 Cb -0.24 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.40 2kb5 s VAL 109 CO 0.07 0.50 0.93 0.00 -0.31 0.00 0.00 175.10 176.30 2kb5 s ALA 110 N 0.59 3.21 -0.21 1.32 0.00 0.81 -3.38 121.76 124.10 2kb5 s ALA 110 Ca -0.07 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.77 2kb5 s ALA 110 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 2kb5 s ALA 110 CO 0.03 -2.16 0.61 0.00 0.00 0.00 0.00 175.76 174.24 2kb5 s ASP 112 N 1.25 2.59 0.12 0.00 2.15 -0.84 -4.82 116.67 117.12 2kb5 s ASP 112 Ca 0.27 -1.32 -0.34 0.00 0.43 0.00 0.00 52.55 51.59 2kb5 s ASP 112 Cb -0.16 -0.13 -0.14 0.00 -0.30 0.00 0.00 42.92 42.19 2kb5 s ASP 112 CO 0.10 -0.52 1.58 -0.46 -0.17 0.00 0.00 175.17 175.70 2kb5 n ASN 113 N -0.67 2.91 -4.63 -0.34 6.94 -1.26 -2.85 115.26 115.36 2kb5 n ASN 113 Ca -0.04 1.08 -0.32 0.00 -0.02 0.00 0.00 54.58 55.28 2kb5 n ASN 113 Cb 0.66 -1.38 -0.07 0.00 -2.36 0.00 0.00 39.78 36.62 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb5 s ARG 114 N 1.23 2.18 0.14 -3.83 3.03 -1.24 -4.93 118.95 115.52 2kb5 s ARG 114 Ca 0.81 -2.40 -0.22 0.00 2.03 0.00 0.00 55.73 55.96 2kb5 s ARG 114 Cb -0.73 -1.33 -0.07 0.00 -1.03 0.00 0.00 34.95 31.79 2kb5 s ARG 114 CO 0.41 -0.42 0.68 0.34 -1.13 0.00 0.00 175.30 175.18 2kb5 s ASP 115 N -3.84 7.19 0.00 -2.89 -1.08 -1.26 -4.94 116.67 109.85 2kb5 s ASP 115 Ca 0.06 1.44 0.09 0.00 -0.52 0.00 0.00 52.55 53.62 2kb5 s ASP 115 Cb 0.01 -2.43 0.51 0.00 -1.46 0.00 0.00 42.92 39.55 2kb5 s ASP 115 CO 0.04 0.20 0.96 -0.81 0.52 0.00 0.00 175.17 176.08 2kb5 n PRO 116 N 1.46 0.49 0.01 4.34 -0.04 -1.26 -2.01 135.00 137.98 2kb5 n PRO 116 Ca -0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 2kb5 n PRO 116 Cb 0.50 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 2kb5 n PRO 116 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kb5 n ARG 117 N -0.77 0.14 -0.06 0.54 1.85 -1.26 -4.08 116.66 113.02 2kb5 n ARG 117 Ca 0.06 -0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.80 2kb5 n ARG 117 Cb 0.03 -1.53 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -1.70 2.25 -3.77 2.89 9.92 -0.85 -4.86 116.55 120.43 2kb5 n ASP 118 Ca 0.03 0.02 -0.28 0.00 -0.53 0.00 0.00 54.79 54.03 2kb5 n ASP 118 Cb 0.38 -0.25 -0.11 0.00 -0.64 0.00 0.00 41.12 40.50 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kb5 n SER 119 N -3.11 2.70 0.27 -2.24 2.88 -1.11 -4.91 113.62 108.10 2kb5 n SER 119 Ca -0.22 -3.15 0.17 0.00 -1.33 0.00 0.00 58.87 54.34 2kb5 n SER 119 Cb 0.70 -0.72 0.69 0.00 -0.75 0.00 0.00 64.21 64.13 2kb5 n SER 119 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2kb5 h PRO 120 N 5.21 0.00 0.03 -1.46 0.13 -1.84 -3.22 132.00 130.85 2kb5 h PRO 120 Ca 0.17 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.91 2kb5 h PRO 120 Cb 0.76 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.83 2kb5 h PRO 120 CO 0.69 0.00 -2.25 2.89 -0.23 0.00 0.00 178.00 179.10 2kb5 n ARG 121 N -3.01 0.65 -3.76 0.86 1.85 -1.26 -4.90 116.66 107.09 2kb5 n ARG 121 Ca 0.01 0.25 -0.36 0.00 -1.00 0.00 0.00 57.85 56.75 2kb5 n ARG 121 Cb 0.29 -1.58 -0.10 0.00 -1.05 0.00 0.00 32.46 30.02 2kb5 n ARG 121 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2kb5 s TYR 122 N -2.51 3.27 -0.04 2.89 2.02 -1.21 -4.97 117.35 116.80 2kb5 s TYR 122 Ca -0.32 0.10 0.31 0.00 -0.37 0.00 0.00 57.07 56.79 2kb5 s TYR 122 Cb 0.09 -2.22 1.30 0.00 -0.40 0.00 0.00 41.96 40.74 2kb5 s TYR 122 CO 0.61 0.03 1.92 -1.00 -1.57 0.00 0.00 175.55 175.55 2kb5 h PRO 123 N 7.41 0.00 -4.98 -1.71 0.13 -1.91 -3.42 132.00 127.52 2kb5 h PRO 123 Ca -0.38 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.45 2kb5 h PRO 123 Cb 1.17 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 2kb5 h PRO 123 CO 0.66 0.00 -0.71 0.54 -0.23 0.00 0.00 178.00 178.25 2kb5 s VAL 124 N -3.59 1.06 0.06 1.56 0.11 -1.26 -3.65 120.40 114.69 2kb5 s VAL 124 Ca 0.02 -2.01 -0.14 0.00 -2.93 0.00 0.00 61.98 56.91 2kb5 s VAL 124 Cb 0.09 -1.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2kb5 s VAL 124 CO 0.50 -0.76 0.32 0.68 -3.33 0.00 0.00 175.10 172.50 2kb5 s VAL 125 N -3.33 0.08 0.11 2.04 -7.23 -1.13 -4.93 120.40 106.00 2kb5 s VAL 125 Ca 0.15 -0.68 -0.31 0.00 -1.81 0.00 0.00 61.98 59.33 2kb5 s VAL 125 Cb 0.03 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.89 2kb5 s VAL 125 CO -0.01 -0.38 1.36 -2.16 -0.31 0.00 0.00 175.10 173.61 2kb5 s PRO 126 N -2.82 4.33 0.00 4.82 0.04 -1.26 -1.98 135.00 138.13 2kb5 s PRO 126 Ca -0.03 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2kb5 s PRO 126 Cb 0.00 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2kb5 s PRO 126 CO -0.05 -0.41 0.52 1.33 0.04 0.00 0.00 177.00 178.42 2kb5 n VAL 127 N 3.95 0.22 -3.64 -0.36 0.24 -0.72 -4.49 118.33 113.53 2kb5 n VAL 127 Ca 0.11 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 2kb5 n VAL 127 Cb 0.43 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 2kb5 n VAL 127 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2kb5 s HIS 128 N -0.22 -0.78 -0.36 6.34 5.65 -1.25 -4.97 115.29 119.70 2kb5 s HIS 128 Ca 0.00 1.69 -0.03 0.00 0.25 0.00 0.00 55.06 56.97 2kb5 s HIS 128 Cb 0.00 0.44 0.08 0.00 -1.18 0.00 0.00 32.58 31.92 2kb5 s HIS 128 CO 0.00 -0.38 0.11 -1.17 -0.65 0.00 0.00 174.74 172.65 2kb5 s LEU 129 N 1.02 4.62 0.06 8.88 1.98 -1.26 -0.13 118.68 133.84 2kb5 s LEU 129 Ca -0.05 -1.65 -0.32 0.00 -2.89 0.00 0.00 54.13 49.22 2kb5 s LEU 129 Cb -0.05 -1.78 -0.19 0.00 0.66 0.00 0.00 46.19 44.84 2kb5 s LEU 129 CO -0.11 -0.41 1.55 -0.78 -1.89 0.00 0.00 176.35 174.71 2kb5 h ASP 130 N 8.03 -0.76 -5.52 3.68 1.82 -0.90 -3.48 116.42 119.29 2kb5 h ASP 130 Ca -0.17 0.01 0.23 0.00 -0.39 0.00 0.00 57.03 56.72 2kb5 h ASP 130 Cb 1.06 0.20 -0.09 0.00 0.68 0.00 0.00 39.33 41.18 2kb5 h ASP 130 CO 0.62 -0.51 0.64 0.28 -1.61 0.00 0.00 179.24 178.66 2kb5 s THR 131 N -5.82 0.00 -0.20 2.25 -1.32 -1.25 -5.00 115.64 104.30 2kb5 s THR 131 Ca -0.17 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 2kb5 s THR 131 Cb 0.03 -2.19 0.05 0.00 -1.51 0.00 0.00 72.50 68.88 2kb5 s THR 131 CO 0.60 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 173.36 2kb5 s THR 132 N -2.75 1.40 0.00 5.08 -4.23 -1.26 -0.49 115.64 113.39 2kb5 s THR 132 Ca 0.15 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2kb5 s THR 132 Cb 0.01 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.26 2kb5 s THR 132 CO 0.01 0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.14