#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 0.38 0.50 5.56 0.04 -1.26 -4.93 135.00 135.29 2kb5 s PRO 2 Ca 0.00 0.50 0.32 0.00 0.04 0.00 0.00 61.00 61.86 2kb5 s PRO 2 Cb 0.00 -1.73 1.34 0.00 0.04 0.00 0.00 34.50 34.15 2kb5 s PRO 2 CO 0.00 -2.76 1.95 -1.00 0.04 0.00 0.00 177.00 175.23 2kb5 h PRO 3 N -1.92 0.00 0.00 0.56 0.13 -1.98 -2.39 132.00 126.40 2kb5 h PRO 3 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kb5 h PRO 3 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2kb5 h PRO 3 CO 0.58 0.00 -0.32 1.04 -0.23 0.00 0.00 178.00 179.07 2kb5 n GLN 4 N -2.93 0.05 -4.21 0.86 6.02 -1.26 -4.84 117.38 111.06 2kb5 n GLN 4 Ca 0.01 0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.85 2kb5 n GLN 4 Cb 0.28 -1.54 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 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 -3.02 0.78 0.56 1.08 0.08 -0.90 -5.10 117.98 111.45 2kb5 s PHE 5 Ca 0.11 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.78 2kb5 s PHE 5 Cb 0.17 -0.48 0.13 0.00 -0.57 0.00 0.00 43.02 42.28 2kb5 s PHE 5 CO 0.64 -0.02 0.69 0.25 -0.10 0.00 0.00 175.22 176.68 2kb5 n THR 6 N 2.23 0.00 0.09 0.64 -2.24 -1.26 -4.16 114.28 109.58 2kb5 n THR 6 Ca -0.17 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.01 2kb5 n THR 6 Cb 0.56 -1.59 -0.14 0.00 -2.10 0.00 0.00 70.33 67.07 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 0.21 0.00 -0.78 3.08 -1.94 -2.80 114.38 112.15 2kb5 h ARG 7 Ca -0.23 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.37 2kb5 h ARG 7 Cb 0.65 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2kb5 h ARG 7 CO 0.16 1.17 -0.68 0.00 -1.07 0.00 0.00 179.97 179.55 2kb5 h ALA 8 N 0.68 0.11 -0.30 0.04 0.00 -1.92 -3.04 119.26 114.82 2kb5 h ALA 8 Ca -0.11 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.14 2kb5 h ALA 8 Cb 1.93 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 2kb5 h ALA 8 CO 0.19 0.45 0.21 -0.56 0.00 0.00 0.00 179.25 179.54 2kb5 h GLN 9 N -1.00 0.09 0.00 0.00 -0.00 -1.83 0.30 115.11 112.68 2kb5 h GLN 9 Ca -0.15 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.39 2kb5 h GLN 9 Cb 0.85 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 28.29 2kb5 h GLN 9 CO -0.09 0.06 -0.56 2.35 -0.00 0.00 0.00 178.83 180.59 2kb5 h TRP 10 N 0.09 0.00 0.06 0.06 -0.00 -1.65 -3.20 115.95 111.32 2kb5 h TRP 10 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.03 2kb5 h TRP 10 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.60 2kb5 h TRP 10 CO -0.00 0.49 -0.03 0.35 -0.00 0.00 0.00 178.44 179.25 2kb5 h PHE 11 N 0.00 -0.08 0.00 2.65 3.04 -0.81 -2.85 116.94 118.89 2kb5 h PHE 11 Ca -0.02 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 2kb5 h PHE 11 Cb 1.39 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 2kb5 h PHE 11 CO 0.00 0.17 -0.19 0.00 -2.02 0.00 0.00 178.31 176.27 2kb5 h ALA 12 N 0.60 1.39 -0.96 2.41 0.00 -1.61 0.44 119.26 121.52 2kb5 h ALA 12 Ca -0.01 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2kb5 h ALA 12 Cb 0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2kb5 h ALA 12 CO 0.01 0.24 0.60 0.82 0.00 0.00 0.00 179.25 180.92 2kb5 h ILE 13 N 0.00 0.97 0.00 0.00 1.08 -1.49 3.09 117.51 121.15 2kb5 h ILE 13 Ca -0.00 -0.34 -0.30 0.00 -0.39 0.00 0.00 64.86 63.82 2kb5 h ILE 13 Cb 0.42 -0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 33.98 2kb5 h ILE 13 CO 0.02 0.18 -2.14 0.00 -0.69 0.00 0.00 178.15 175.53 2kb5 n GLN 14 N -4.61 1.27 0.00 2.37 10.64 -1.04 -4.38 117.38 121.63 2kb5 n GLN 14 Ca 0.17 -0.01 0.12 0.00 -1.83 0.00 0.00 57.00 55.46 2kb5 n GLN 14 Cb 0.29 -1.43 0.30 0.00 -0.86 0.00 0.00 30.24 28.54 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 -2.63 0.00 -3.88 2.61 8.25 0.15 -3.97 115.22 115.75 2kb5 n HIS 15 Ca -0.27 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.07 2kb5 n HIS 15 Cb 1.04 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.86 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 -2.69 0.02 -0.30 1.59 1.01 1.03 -1.09 121.20 120.78 2kb5 s ILE 16 Ca 0.19 -0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 2kb5 s ILE 16 Cb 0.18 -0.10 0.18 0.00 0.01 0.00 0.00 42.46 42.74 2kb5 s ILE 16 CO 0.60 -0.10 0.99 -0.94 0.00 0.00 0.00 174.94 175.49 2kb5 s SER 17 N -0.29 -0.57 0.17 3.58 1.04 -0.73 -4.12 113.70 112.78 2kb5 s SER 17 Ca -0.03 0.21 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 2kb5 s SER 17 Cb -0.02 1.42 0.10 0.00 0.10 0.00 0.00 66.02 67.62 2kb5 s SER 17 CO -0.00 -0.11 1.61 -0.07 0.98 0.00 0.00 173.24 175.65 2kb5 h LEU 18 N 7.70 -0.97 -7.29 2.42 3.38 -1.80 -3.25 115.31 115.51 2kb5 h LEU 18 Ca -0.11 0.19 -0.65 0.00 0.09 0.00 0.00 57.88 57.40 2kb5 h LEU 18 Cb 1.17 0.48 -0.39 0.00 0.09 0.00 0.00 40.66 42.01 2kb5 h LEU 18 CO -0.06 -0.29 -0.47 0.54 0.09 0.00 0.00 178.44 178.24 2kb5 s ASN 19 N -5.12 4.95 -0.37 -0.43 2.20 -1.26 -4.74 114.94 110.17 2kb5 s ASN 19 Ca -0.15 -3.43 -0.28 0.00 -0.94 0.00 0.00 52.86 48.06 2kb5 s ASN 19 Cb 0.15 -1.72 -0.01 0.00 -2.00 0.00 0.00 41.25 37.66 2kb5 s ASN 19 CO 0.69 -0.19 1.71 -2.16 -2.94 0.00 0.00 177.10 174.21 2kb5 s PRO 20 N -0.88 3.35 0.00 3.55 0.04 -1.23 -5.00 135.00 134.84 2kb5 s PRO 20 Ca 0.22 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2kb5 s PRO 20 Cb -0.14 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2kb5 s PRO 20 CO -0.09 -1.84 0.00 -0.35 0.04 0.00 0.00 177.00 174.76 2kb5 n PRO 21 N 8.39 0.95 -1.83 0.56 -0.04 -1.26 -4.89 135.00 136.87 2kb5 n PRO 21 Ca 0.21 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 2kb5 n PRO 21 Cb 0.47 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.08 4.17 0.50 0.54 0.52 -1.26 -4.63 118.95 118.71 2kb5 s ARG 22 Ca 0.00 2.43 0.34 0.00 -0.52 0.00 0.00 55.73 57.98 2kb5 s ARG 22 Cb 0.00 -3.89 1.17 0.00 0.52 0.00 0.00 34.95 32.75 2kb5 s ARG 22 CO 0.00 -0.85 1.24 0.00 0.02 0.00 0.00 175.30 175.70 2kb5 h THR 24 N 0.00 0.94 -0.03 0.00 2.02 -1.87 -3.25 112.91 110.72 2kb5 h THR 24 Ca 0.63 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 2kb5 h THR 24 Cb 2.93 1.57 0.01 0.00 -1.74 0.00 0.00 68.15 70.92 2kb5 h THR 24 CO -0.01 0.24 -0.37 0.40 0.37 0.00 0.00 175.52 176.16 2kb5 h ILE 25 N -0.83 1.47 -0.97 3.11 2.04 0.42 -3.28 117.51 119.46 2kb5 h ILE 25 Ca -0.02 -1.89 0.31 0.00 1.00 0.00 0.00 64.86 64.26 2kb5 h ILE 25 Cb 0.54 2.55 -0.18 0.00 -0.74 0.00 0.00 36.82 38.99 2kb5 h ILE 25 CO 0.03 0.54 0.18 0.00 0.00 0.00 0.00 178.15 178.90 2kb5 n ALA 26 N -2.54 0.65 0.49 1.87 0.00 0.14 0.26 120.51 121.39 2kb5 n ALA 26 Ca -0.09 1.02 -0.05 0.00 0.00 0.00 0.00 53.44 54.32 2kb5 n ALA 26 Cb 0.54 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.20 2kb5 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kb5 n MET 27 N -5.36 1.25 0.00 0.00 0.00 -1.23 -4.27 117.12 107.51 2kb5 n MET 27 Ca 0.27 -0.59 0.00 0.00 0.00 0.00 0.00 57.70 57.39 2kb5 n MET 27 Cb 0.91 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.90 2kb5 n MET 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kb5 n ARG 28 N 0.23 0.00 0.22 3.17 5.12 0.74 -3.45 116.66 122.69 2kb5 n ARG 28 Ca 0.12 0.12 0.05 0.00 -1.93 0.00 0.00 57.85 56.21 2kb5 n ARG 28 Cb 0.72 -0.56 0.48 0.00 -1.16 0.00 0.00 32.46 31.94 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kb5 h ALA 29 N -2.00 1.57 -0.09 7.54 0.00 -1.76 -2.94 119.26 121.58 2kb5 h ALA 29 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kb5 h ALA 29 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kb5 h ALA 29 CO 0.00 0.29 0.00 -0.89 0.00 0.00 0.00 179.25 178.65 2kb5 n ILE 30 N -4.19 0.00 0.27 0.00 2.08 -1.26 -2.64 119.36 113.61 2kb5 n ILE 30 Ca -0.02 1.30 0.08 0.00 0.56 0.00 0.00 62.75 64.67 2kb5 n ILE 30 Cb 0.29 -2.30 0.44 0.00 -0.75 0.00 0.00 39.64 37.33 2kb5 n ILE 30 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2kb5 h ASN 31 N 0.00 0.00 0.00 4.38 2.35 -1.61 0.10 115.58 120.80 2kb5 h ASN 31 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kb5 h ASN 31 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2kb5 h ASN 31 CO 0.00 0.00 0.24 -1.13 -1.65 0.00 0.00 177.43 174.89 2kb5 h ASN 32 N 0.00 0.00 0.53 5.81 -1.24 -1.31 0.21 115.58 119.58 2kb5 h ASN 32 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2kb5 h ASN 32 Cb 0.99 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 2kb5 h ASN 32 CO 0.00 0.00 -0.15 0.10 -1.29 0.00 0.00 177.43 176.09 2kb5 h TYR 33 N 0.00 0.00 -3.79 0.67 -0.00 -1.14 -3.46 116.97 109.25 2kb5 h TYR 33 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.48 2kb5 h TYR 33 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.16 2kb5 h TYR 33 CO 0.00 0.15 -0.13 0.54 -0.00 0.00 0.00 178.16 178.72 2kb5 n ARG 34 N -3.54 0.63 0.00 0.10 5.12 0.75 -4.69 116.66 115.03 2kb5 n ARG 34 Ca -0.01 -2.49 0.11 0.00 -1.93 0.00 0.00 57.85 53.53 2kb5 n ARG 34 Cb 0.29 2.41 0.05 0.00 -1.16 0.00 0.00 32.46 34.05 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2kb5 n TRP 35 N -0.52 0.00 -3.92 -1.55 7.02 -1.26 -4.92 117.44 112.29 2kb5 n TRP 35 Ca 0.01 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.24 2kb5 n TRP 35 Cb 0.52 -0.01 -0.04 0.00 -2.42 0.00 0.00 31.31 29.37 2kb5 n TRP 35 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2kb5 s ARG 36 N -2.42 2.31 0.21 -0.99 1.70 -1.26 -3.46 118.95 115.03 2kb5 s ARG 36 Ca 0.20 -1.87 0.08 0.00 -0.47 0.00 0.00 55.73 53.67 2kb5 s ARG 36 Cb 0.18 -2.11 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 2kb5 s ARG 36 CO 0.53 -0.36 0.05 0.00 -1.08 0.00 0.00 175.30 174.44 2kb5 s LYS 38 N -3.27 3.78 0.18 0.00 2.36 -1.26 -5.00 119.74 116.53 2kb5 s LYS 38 Ca 0.30 0.30 -0.13 0.00 -2.55 0.00 0.00 55.97 53.89 2kb5 s LYS 38 Cb -0.08 -2.56 0.09 0.00 -1.05 0.00 0.00 37.83 34.22 2kb5 s LYS 38 CO 0.20 0.19 1.80 -0.91 1.55 0.00 0.00 175.35 178.18 2kb5 h ASN 39 N 1.98 0.74 -2.89 1.43 4.21 -1.99 -3.41 115.58 115.64 2kb5 h ASN 39 Ca -0.47 -0.08 -0.03 0.00 1.21 0.00 0.00 56.30 56.92 2kb5 h ASN 39 Cb 1.18 -0.19 -0.24 0.00 -1.12 0.00 0.00 38.32 37.96 2kb5 h ASN 39 CO 0.67 0.61 -0.15 -1.10 -1.29 0.00 0.00 177.43 176.16 2kb5 s GLN 40 N -5.89 0.54 -0.24 0.81 -1.52 -1.26 -1.69 119.66 110.41 2kb5 s GLN 40 Ca -0.13 1.09 0.01 0.00 -1.95 0.00 0.00 55.36 54.38 2kb5 s GLN 40 Cb 0.13 0.20 0.06 0.00 -0.22 0.00 0.00 33.01 33.18 2kb5 s GLN 40 CO 0.77 -0.17 -0.07 1.21 -0.25 0.00 0.00 175.29 176.78 2kb5 s ASN 41 N 1.83 4.00 -0.24 5.90 3.84 -1.07 -4.98 114.94 124.22 2kb5 s ASN 41 Ca -0.08 -1.23 -0.09 0.00 0.21 0.00 0.00 52.86 51.66 2kb5 s ASN 41 Cb -0.08 -1.27 -0.04 0.00 -0.55 0.00 0.00 41.25 39.31 2kb5 s ASN 41 CO -0.17 -0.22 0.13 -0.89 -2.79 0.00 0.00 177.10 173.16 2kb5 s THR 42 N 1.32 5.01 -0.34 -5.21 2.01 -1.26 -2.05 115.64 115.12 2kb5 s THR 42 Ca -0.07 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 2kb5 s THR 42 Cb -0.19 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.01 2kb5 s THR 42 CO -0.06 0.35 0.14 -0.36 -0.69 0.00 0.00 174.62 174.00 2kb5 s PHE 43 N 1.18 3.22 -0.08 4.92 0.40 0.45 -4.07 117.98 124.00 2kb5 s PHE 43 Ca 0.06 -1.11 -0.28 0.00 -0.60 0.00 0.00 56.93 55.01 2kb5 s PHE 43 Cb -0.14 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.03 2kb5 s PHE 43 CO 0.05 -0.65 0.91 -0.51 0.70 0.00 0.00 175.22 175.72 2kb5 s LEU 44 N 1.49 4.28 -1.16 -0.37 1.43 -0.25 -0.23 118.68 123.88 2kb5 s LEU 44 Ca 0.01 1.44 -0.21 0.00 -1.03 0.00 0.00 54.13 54.34 2kb5 s LEU 44 Cb -0.19 -3.42 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 2kb5 s LEU 44 CO 0.04 -0.32 1.90 0.54 0.23 0.00 0.00 176.35 178.75 2kb5 n ARG 45 N 4.49 1.94 -3.52 1.70 1.74 -0.50 -1.78 116.66 120.73 2kb5 n ARG 45 Ca 0.05 -2.55 -0.12 0.00 -0.77 0.00 0.00 57.85 54.47 2kb5 n ARG 45 Cb 0.50 -3.56 -0.04 0.00 -1.02 0.00 0.00 32.46 28.33 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 8.67 0.00 0.57 0.55 -1.32 -1.26 -4.71 115.64 118.14 2kb5 s THR 46 Ca 0.63 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.96 2kb5 s THR 46 Cb 0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 2kb5 s THR 46 CO 0.12 0.00 1.02 0.42 -2.21 0.00 0.00 174.62 173.97 2kb5 s THR 47 N -2.04 4.27 0.50 5.08 -4.23 -1.26 -4.43 115.64 113.53 2kb5 s THR 47 Ca -0.02 1.01 0.28 0.00 -1.18 0.00 0.00 61.69 61.78 2kb5 s THR 47 Cb -0.01 -3.60 0.46 0.00 1.34 0.00 0.00 72.50 70.69 2kb5 s THR 47 CO -0.01 -0.70 1.88 0.15 -0.54 0.00 0.00 174.62 175.39 2kb5 h PHE 48 N 0.46 0.15 0.27 3.99 3.57 -1.98 -1.04 116.94 122.37 2kb5 h PHE 48 Ca -0.46 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 2kb5 h PHE 48 Cb 1.20 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2kb5 h PHE 48 CO 0.62 0.03 -0.13 0.00 -2.23 0.00 0.00 178.31 176.61 2kb5 h ALA 49 N 1.57 -0.36 -0.37 2.41 0.00 -1.98 0.32 119.26 120.84 2kb5 h ALA 49 Ca 0.44 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.32 2kb5 h ALA 49 Cb 1.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2kb5 h ALA 49 CO -0.06 -0.61 0.45 -0.91 0.00 0.00 0.00 179.25 178.12 2kb5 h ASN 50 N -0.55 0.00 0.07 0.00 2.35 -1.56 -0.54 115.58 115.36 2kb5 h ASN 50 Ca -0.04 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.40 2kb5 h ASN 50 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2kb5 h ASN 50 CO 0.06 0.00 -1.72 0.52 -1.65 0.00 0.00 177.43 174.64 2kb5 n VAL 51 N -3.62 1.68 -0.01 2.81 0.31 -0.97 -4.07 118.33 114.46 2kb5 n VAL 51 Ca 0.07 -0.40 0.11 0.00 -0.01 0.00 0.00 64.34 64.10 2kb5 n VAL 51 Cb 0.61 -1.86 0.52 0.00 -0.91 0.00 0.00 33.84 32.20 2kb5 n VAL 51 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2kb5 h VAL 52 N -0.37 0.93 0.00 2.52 2.07 0.88 0.63 116.25 122.92 2kb5 h VAL 52 Ca -0.40 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2kb5 h VAL 52 Cb 1.74 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2kb5 h VAL 52 CO -0.04 0.06 -0.19 -1.13 0.02 0.00 0.00 177.57 176.30 2kb5 h ASN 53 N 0.34 0.00 0.82 0.57 -1.24 -1.31 -2.41 115.58 112.35 2kb5 h ASN 53 Ca 0.21 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.13 2kb5 h ASN 53 Cb 0.40 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2kb5 h ASN 53 CO -0.05 0.19 -0.43 0.58 -1.29 0.00 0.00 177.43 176.42 2kb5 h VAL 54 N 0.00 1.00 -0.16 2.57 2.07 -1.01 -3.00 116.25 117.72 2kb5 h VAL 54 Ca -0.00 -1.68 0.05 0.00 0.82 0.00 0.00 66.70 65.88 2kb5 h VAL 54 Cb 0.53 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2kb5 h VAL 54 CO 0.02 0.42 0.12 0.00 0.02 0.00 0.00 177.57 178.16 2kb5 n GLY 56 N -1.54 4.52 3.74 0.00 0.00 -1.13 -4.92 105.19 105.84 2kb5 n GLY 56 Ca 0.01 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.06 4.70 -0.48 1.61 0.01 -0.44 -5.02 114.94 114.27 2kb5 s ASN 57 Ca 0.51 -0.76 -0.37 0.00 -0.71 0.00 0.00 52.86 51.53 2kb5 s ASN 57 Cb 0.42 -0.74 -0.15 0.00 0.41 0.00 0.00 41.25 41.19 2kb5 s ASN 57 CO 0.06 -0.30 2.25 1.67 -1.51 0.00 0.00 177.10 179.27 2kb5 n GLN 58 N -1.15 0.59 -0.98 -0.60 -0.06 -1.26 -4.89 117.38 109.02 2kb5 n GLN 58 Ca -0.03 0.14 -0.29 0.00 -2.00 0.00 0.00 57.00 54.82 2kb5 n GLN 58 Cb 0.61 -2.08 0.19 0.00 -4.06 0.00 0.00 30.24 24.90 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2kb5 s SER 59 N 7.35 2.41 0.31 1.69 1.04 -1.26 -4.58 113.70 120.65 2kb5 s SER 59 Ca 1.16 1.43 -0.10 0.00 0.48 0.00 0.00 55.95 58.92 2kb5 s SER 59 Cb -1.08 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 62.96 2kb5 s SER 59 CO 0.53 -3.30 0.58 2.30 0.98 0.00 0.00 173.24 174.34 2kb5 n ILE 60 N -4.31 0.00 -2.79 -1.02 -5.35 -1.16 -5.01 119.36 99.73 2kb5 n ILE 60 Ca 0.05 -0.95 -0.42 0.00 -0.27 0.00 0.00 62.75 61.16 2kb5 n ILE 60 Cb 0.55 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 2kb5 n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kb5 s ARG 61 N -2.21 4.28 0.36 6.28 3.03 -1.26 -4.40 118.95 125.03 2kb5 s ARG 61 Ca 0.15 1.16 -0.26 0.00 2.03 0.00 0.00 55.73 58.81 2kb5 s ARG 61 Cb -0.03 -3.61 -0.09 0.00 -1.03 0.00 0.00 34.95 30.19 2kb5 s ARG 61 CO 0.11 -0.46 1.11 0.00 -1.13 0.00 0.00 175.30 174.93 2kb5 h PRO 63 N 2.97 0.62 0.00 0.00 0.13 -1.95 -2.95 132.00 130.80 2kb5 h PRO 63 Ca -0.48 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2kb5 h PRO 63 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kb5 h PRO 63 CO 0.64 0.92 0.00 1.25 -0.23 0.00 0.00 178.00 180.58 2kb5 h HIS 64 N 0.33 0.00 -3.05 1.56 -0.00 -1.93 -3.37 115.15 108.69 2kb5 h HIS 64 Ca 0.04 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.85 2kb5 h HIS 64 Cb 0.80 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 27.81 2kb5 h HIS 64 CO 0.07 0.00 -0.76 -0.80 -0.00 0.00 0.00 177.93 176.44 2kb5 s ASN 65 N -5.12 3.74 0.00 3.26 0.01 -1.12 -4.97 114.94 110.74 2kb5 s ASN 65 Ca -0.01 -1.43 0.17 0.00 -0.71 0.00 0.00 52.86 50.88 2kb5 s ASN 65 Cb 0.10 -0.67 0.98 0.00 0.41 0.00 0.00 41.25 42.07 2kb5 s ASN 65 CO 0.44 -0.41 1.40 -2.11 -1.51 0.00 0.00 177.10 174.91 2kb5 n ARG 66 N 5.00 0.50 0.00 -0.60 1.85 -1.25 -3.25 116.66 118.92 2kb5 n ARG 66 Ca -0.04 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2kb5 n ARG 66 Cb 0.43 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 -1.02 0.00 -2.17 8.89 5.66 -1.26 -5.02 114.28 119.36 2kb5 n THR 67 Ca 0.12 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.70 2kb5 n THR 67 Cb 0.06 -0.38 -0.03 0.00 -1.55 0.00 0.00 70.33 68.44 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 -4.50 4.35 -0.56 1.09 0.20 -1.20 -4.96 118.68 113.10 2kb5 s LEU 68 Ca 0.00 2.24 0.07 0.00 0.69 0.00 0.00 54.13 57.13 2kb5 s LEU 68 Cb 0.00 -3.57 0.27 0.00 -0.43 0.00 0.00 46.19 42.45 2kb5 s LEU 68 CO 0.00 -0.71 0.72 -0.46 -0.29 0.00 0.00 176.35 175.61 2kb5 n ASN 69 N 4.78 2.84 -0.78 3.68 0.23 -1.26 -3.52 115.26 121.24 2kb5 n ASN 69 Ca 0.13 -3.27 0.04 0.00 -0.53 0.00 0.00 54.58 50.94 2kb5 n ASN 69 Cb 0.43 -0.65 0.06 0.00 -2.08 0.00 0.00 39.78 37.55 2kb5 n ASN 69 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2kb5 n ASN 70 N 0.82 1.01 -4.33 0.53 5.15 -1.26 -4.91 115.26 112.27 2kb5 n ASN 70 Ca 0.28 -2.50 -0.31 0.00 -0.60 0.00 0.00 54.58 51.45 2kb5 n ASN 70 Cb 0.45 -0.33 -0.15 0.00 -0.53 0.00 0.00 39.78 39.22 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb5 s HIS 72 N -0.68 2.21 -0.06 0.00 3.76 -1.23 -2.98 115.29 116.31 2kb5 s HIS 72 Ca 0.11 -0.90 -0.20 0.00 -0.15 0.00 0.00 55.06 53.92 2kb5 s HIS 72 Cb -0.10 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.04 2kb5 s HIS 72 CO 0.00 -0.39 0.57 0.50 -0.85 0.00 0.00 174.74 174.57 2kb5 s ARG 73 N 0.48 4.33 0.09 1.40 3.52 -1.26 -3.49 118.95 124.02 2kb5 s ARG 73 Ca -0.17 0.65 -0.35 0.00 -0.13 0.00 0.00 55.73 55.73 2kb5 s ARG 73 Cb -0.17 -3.39 -0.14 0.00 -1.56 0.00 0.00 34.95 29.68 2kb5 s ARG 73 CO 0.07 0.24 1.59 -1.13 -0.81 0.00 0.00 175.30 175.26 2kb5 n SER 74 N 3.25 2.85 -0.08 -2.12 3.41 -1.07 -4.87 113.62 114.98 2kb5 n SER 74 Ca -0.06 1.07 -0.08 0.00 -0.26 0.00 0.00 58.87 59.54 2kb5 n SER 74 Cb 0.51 -1.36 0.09 0.00 -0.26 0.00 0.00 64.21 63.19 2kb5 n SER 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2kb5 h ARG 75 N 6.22 0.76 -5.72 4.33 0.11 -1.94 -3.43 114.38 114.71 2kb5 h ARG 75 Ca -0.46 -0.31 -0.67 0.00 0.10 0.00 0.00 59.98 58.64 2kb5 h ARG 75 Cb 1.27 -0.03 -0.11 0.00 1.11 0.00 0.00 29.97 32.22 2kb5 h ARG 75 CO 0.88 0.92 -0.54 -0.06 0.10 0.00 0.00 179.97 181.28 2kb5 s PHE 76 N -4.57 3.41 0.50 4.08 0.08 -1.26 -5.08 117.98 115.14 2kb5 s PHE 76 Ca -0.09 0.36 -0.19 0.00 0.12 0.00 0.00 56.93 57.13 2kb5 s PHE 76 Cb 0.13 -1.90 -0.08 0.00 -0.57 0.00 0.00 43.02 40.60 2kb5 s PHE 76 CO 0.84 0.58 1.02 1.03 -0.10 0.00 0.00 175.22 178.58 2kb5 s ARG 77 N -0.81 3.80 -0.02 0.44 0.52 -1.26 -4.79 118.95 116.83 2kb5 s ARG 77 Ca 0.13 1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 56.42 2kb5 s ARG 77 Cb -0.12 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.27 2kb5 s ARG 77 CO 0.03 -0.41 0.26 0.14 0.02 0.00 0.00 175.30 175.34 2kb5 s VAL 78 N -2.24 0.06 -0.35 3.52 -7.23 -1.16 -4.94 120.40 108.06 2kb5 s VAL 78 Ca 0.64 -0.50 -0.28 0.00 -1.81 0.00 0.00 61.98 60.02 2kb5 s VAL 78 Cb -0.14 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 2kb5 s VAL 78 CO 0.24 -0.28 1.70 -2.16 -0.31 0.00 0.00 175.10 174.29 2kb5 s PRO 79 N -1.25 3.41 0.47 4.82 0.04 -1.26 -2.87 135.00 138.36 2kb5 s PRO 79 Ca -0.13 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.28 2kb5 s PRO 79 Cb -0.06 -4.15 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 2kb5 s PRO 79 CO 0.03 -1.77 0.28 -0.48 0.04 0.00 0.00 177.00 175.11 2kb5 s LEU 80 N 6.48 2.92 0.03 -3.56 0.05 0.12 -1.41 118.68 123.31 2kb5 s LEU 80 Ca 0.75 -1.15 0.05 0.00 0.05 0.00 0.00 54.13 53.84 2kb5 s LEU 80 Cb -0.20 -1.37 -0.02 0.00 -2.05 0.00 0.00 46.19 42.55 2kb5 s LEU 80 CO 0.34 -0.81 -0.16 -0.22 -0.55 0.00 0.00 176.35 174.95 2kb5 s LEU 81 N -4.09 2.14 -0.05 1.48 1.98 0.68 -2.01 118.68 118.81 2kb5 s LEU 81 Ca 0.36 -0.44 0.05 0.00 -2.89 0.00 0.00 54.13 51.21 2kb5 s LEU 81 Cb 0.00 -0.73 -0.02 0.00 0.66 0.00 0.00 46.19 46.11 2kb5 s LEU 81 CO 0.21 0.09 -0.19 -1.00 -1.89 0.00 0.00 176.35 173.57 2kb5 s HIS 82 N -0.74 2.57 -0.48 5.38 3.76 0.32 -0.41 115.29 125.69 2kb5 s HIS 82 Ca 0.04 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 2kb5 s HIS 82 Cb -0.08 -1.62 0.18 0.00 1.11 0.00 0.00 32.58 32.17 2kb5 s HIS 82 CO 0.01 -0.00 0.40 0.00 -0.85 0.00 0.00 174.74 174.30 2kb5 s ASP 84 N -0.46 5.67 -0.45 0.00 2.15 -1.03 -2.60 116.67 119.96 2kb5 s ASP 84 Ca 0.31 1.86 -0.29 0.00 0.43 0.00 0.00 52.55 54.87 2kb5 s ASP 84 Cb 0.03 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 2kb5 s ASP 84 CO -0.18 -1.24 1.25 -0.22 -0.17 0.00 0.00 175.17 174.60 2kb5 s LEU 85 N -4.53 3.63 -0.02 -1.34 2.96 -0.68 -0.08 118.68 118.62 2kb5 s LEU 85 Ca 0.65 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 2kb5 s LEU 85 Cb -0.17 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.06 2kb5 s LEU 85 CO 0.37 -1.31 0.67 -0.38 -1.32 0.00 0.00 176.35 174.38 2kb5 n ILE 86 N 6.90 0.29 -3.62 6.68 5.41 -0.56 -4.47 119.36 130.00 2kb5 n ILE 86 Ca 0.14 -0.15 -0.29 0.00 1.00 0.00 0.00 62.75 63.44 2kb5 n ILE 86 Cb 0.49 -0.44 -0.13 0.00 -0.71 0.00 0.00 39.64 38.85 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2kb5 s ASN 87 N -0.15 3.42 -0.30 4.38 0.01 -1.26 -4.94 114.94 116.10 2kb5 s ASN 87 Ca 0.06 -2.35 -0.29 0.00 -0.71 0.00 0.00 52.86 49.57 2kb5 s ASN 87 Cb 0.05 -0.77 -0.02 0.00 0.41 0.00 0.00 41.25 40.92 2kb5 s ASN 87 CO 0.02 -0.30 1.66 -2.16 -1.51 0.00 0.00 177.10 174.82 2kb5 s PRO 88 N 0.76 3.55 0.00 -0.60 0.04 -1.26 -2.19 135.00 135.30 2kb5 s PRO 88 Ca 0.17 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2kb5 s PRO 88 Cb -0.23 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2kb5 s PRO 88 CO -0.02 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.84 2kb5 n GLY 89 N 5.08 0.65 3.77 0.56 0.00 -1.26 -5.05 105.19 108.93 2kb5 n GLY 89 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.55 3.30 -0.49 4.61 0.00 -0.93 -4.99 121.76 120.71 2kb5 s ALA 90 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.09 2kb5 s ALA 90 Cb 0.00 -3.40 0.29 0.00 0.00 0.00 0.00 23.12 20.01 2kb5 s ALA 90 CO 0.00 -0.51 0.72 0.94 0.00 0.00 0.00 175.76 176.91 2kb5 n GLN 91 N 0.49 1.76 -3.52 0.00 7.27 -1.26 -4.88 117.38 117.25 2kb5 n GLN 91 Ca 0.02 -3.97 -0.09 0.00 0.07 0.00 0.00 57.00 53.03 2kb5 n GLN 91 Cb 0.45 -1.81 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2kb5 s ASN 92 N -2.28 -0.38 -0.13 1.69 2.20 -1.26 -4.93 114.94 109.84 2kb5 s ASN 92 Ca 0.40 0.10 0.02 0.00 -0.94 0.00 0.00 52.86 52.45 2kb5 s ASN 92 Cb 0.23 0.38 -0.09 0.00 -2.00 0.00 0.00 41.25 39.77 2kb5 s ASN 92 CO -0.08 -0.58 -0.10 2.30 -2.94 0.00 0.00 177.10 175.70 2kb5 n ILE 93 N -0.02 0.75 -0.08 0.54 -5.35 -1.22 -4.09 119.36 109.89 2kb5 n ILE 93 Ca -0.10 -0.31 0.26 0.00 -0.27 0.00 0.00 62.75 62.34 2kb5 n ILE 93 Cb 0.61 -0.94 0.72 0.00 -1.74 0.00 0.00 39.64 38.28 2kb5 n ILE 93 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2kb5 h SER 94 N 0.00 0.00 -0.98 7.28 0.02 -1.97 -1.26 113.55 116.63 2kb5 h SER 94 Ca -0.29 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.22 2kb5 h SER 94 Cb 1.48 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.61 2kb5 h SER 94 CO -0.04 0.00 -0.98 0.59 -1.14 0.00 0.00 176.83 175.26 2kb5 n ASN 95 N -3.99 3.02 -4.38 3.07 4.13 -1.26 -5.03 115.26 110.83 2kb5 n ASN 95 Ca 0.15 -3.04 -0.45 0.00 1.68 0.00 0.00 54.58 52.92 2kb5 n ASN 95 Cb 0.88 -0.47 -0.07 0.00 -1.54 0.00 0.00 39.78 38.58 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s ARG 97 N 1.63 4.38 -0.24 0.00 0.52 -1.26 -4.83 118.95 119.14 2kb5 s ARG 97 Ca 0.04 1.33 -0.06 0.00 -0.52 0.00 0.00 55.73 56.52 2kb5 s ARG 97 Cb -0.25 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 2kb5 s ARG 97 CO 0.06 -0.37 0.03 0.71 0.02 0.00 0.00 175.30 175.75 2kb5 s TYR 98 N 2.25 3.05 -0.43 -0.53 2.02 -1.26 -1.50 117.35 120.94 2kb5 s TYR 98 Ca 0.46 -0.65 -0.28 0.00 -0.37 0.00 0.00 57.07 56.23 2kb5 s TYR 98 Cb -0.17 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.20 2kb5 s TYR 98 CO 0.15 -0.44 1.48 0.00 -1.57 0.00 0.00 175.55 175.16 2kb5 s ALA 99 N 1.56 2.95 0.14 3.71 0.00 0.89 -4.59 121.76 126.42 2kb5 s ALA 99 Ca 0.06 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2kb5 s ALA 99 Cb -0.15 -3.99 -0.07 0.00 0.00 0.00 0.00 23.12 18.91 2kb5 s ALA 99 CO 0.01 -2.56 1.25 0.16 0.00 0.00 0.00 175.76 174.62 2kb5 s ASP 100 N 4.44 7.01 -0.26 0.00 -4.77 -1.25 -2.45 116.67 119.39 2kb5 s ASP 100 Ca 0.63 2.21 -0.01 0.00 -3.30 0.00 0.00 52.55 52.08 2kb5 s ASP 100 Cb -0.14 -2.60 0.14 0.00 -1.09 0.00 0.00 42.92 39.23 2kb5 s ASP 100 CO 0.31 -0.47 0.36 -0.60 0.70 0.00 0.00 175.17 175.47 2kb5 s ARG 101 N 0.38 0.35 0.63 2.11 3.00 0.80 -4.96 118.95 121.26 2kb5 s ARG 101 Ca 0.57 0.25 -0.16 0.00 -1.00 0.00 0.00 55.73 55.39 2kb5 s ARG 101 Cb -0.33 -0.53 -0.02 0.00 0.00 0.00 0.00 34.95 34.08 2kb5 s ARG 101 CO 0.34 -0.84 1.11 -1.25 0.00 0.00 0.00 175.30 174.66 2kb5 s PRO 102 N 2.49 2.95 -0.16 5.12 0.04 -1.26 -0.52 135.00 143.65 2kb5 s PRO 102 Ca 0.11 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.28 2kb5 s PRO 102 Cb -0.14 -1.97 0.14 0.00 0.04 0.00 0.00 34.50 32.57 2kb5 s PRO 102 CO -0.23 -1.14 1.08 0.20 0.04 0.00 0.00 177.00 176.95 2kb5 s GLY 103 N -2.38 -0.24 -0.25 0.56 0.00 -0.85 -4.89 107.32 99.27 2kb5 s GLY 103 Ca 0.68 1.95 0.01 0.00 0.00 0.00 0.00 44.72 47.36 2kb5 s GLY 103 CO 0.38 0.86 -0.03 -1.60 0.00 0.00 0.00 173.10 172.70 2kb5 s ARG 104 N -1.62 1.53 0.16 2.90 3.52 -1.26 0.17 118.95 124.35 2kb5 s ARG 104 Ca 0.03 -1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 54.46 2kb5 s ARG 104 Cb -0.01 -2.59 0.04 0.00 -1.56 0.00 0.00 34.95 30.83 2kb5 s ARG 104 CO -0.03 -0.66 0.55 0.54 -0.81 0.00 0.00 175.30 174.90 2kb5 n ARG 105 N 4.65 0.51 -1.82 5.12 1.74 -1.14 -4.87 116.66 120.87 2kb5 n ARG 105 Ca -0.10 -1.08 -0.30 0.00 -0.77 0.00 0.00 57.85 55.60 2kb5 n ARG 105 Cb 0.44 1.40 0.21 0.00 -1.02 0.00 0.00 32.46 33.49 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 -4.24 1.11 -0.14 -1.55 0.08 -1.23 -2.99 117.98 109.01 2kb5 s PHE 106 Ca 0.12 0.24 -0.08 0.00 0.12 0.00 0.00 56.93 57.32 2kb5 s PHE 106 Cb -0.02 -4.16 0.05 0.00 -0.57 0.00 0.00 43.02 38.32 2kb5 s PHE 106 CO 0.05 -3.03 0.35 1.52 -0.10 0.00 0.00 175.22 174.01 2kb5 s TYR 107 N -3.83 -0.48 -0.49 0.36 -0.85 -1.26 0.16 117.35 110.96 2kb5 s TYR 107 Ca 0.76 1.06 -0.16 0.00 -0.52 0.00 0.00 57.07 58.21 2kb5 s TYR 107 Cb -0.03 0.17 0.08 0.00 0.38 0.00 0.00 41.96 42.56 2kb5 s TYR 107 CO 0.54 -0.28 0.45 0.08 -1.52 0.00 0.00 175.55 174.82 2kb5 s VAL 108 N 1.15 5.17 -0.10 -3.49 1.01 0.39 -2.60 120.40 121.93 2kb5 s VAL 108 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2kb5 s VAL 108 Cb -0.08 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2kb5 s VAL 108 CO -0.09 -0.66 -0.10 0.68 0.00 0.00 0.00 175.10 174.92 2kb5 s VAL 109 N 1.81 3.35 -0.64 2.92 -7.23 -1.23 0.38 120.40 119.76 2kb5 s VAL 109 Ca 0.06 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 2kb5 s VAL 109 Cb -0.24 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.36 2kb5 s VAL 109 CO 0.07 0.55 1.10 0.00 -0.31 0.00 0.00 175.10 176.51 2kb5 s ALA 110 N -0.18 2.99 -0.14 1.32 0.00 -0.01 -3.47 121.76 122.27 2kb5 s ALA 110 Ca 0.01 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 2kb5 s ALA 110 Cb -0.13 -3.99 -0.03 0.00 0.00 0.00 0.00 23.12 18.97 2kb5 s ALA 110 CO 0.03 -2.82 0.59 0.00 0.00 0.00 0.00 175.76 173.56 2kb5 s ASP 112 N 0.93 1.10 -0.41 0.00 2.15 -0.75 -4.84 116.67 114.85 2kb5 s ASP 112 Ca 0.29 -0.76 -0.31 0.00 0.43 0.00 0.00 52.55 52.21 2kb5 s ASP 112 Cb -0.16 0.05 -0.10 0.00 -0.30 0.00 0.00 42.92 42.41 2kb5 s ASP 112 CO 0.12 -0.30 2.30 -0.46 -0.17 0.00 0.00 175.17 176.66 2kb5 n ASN 113 N 0.76 2.28 -5.02 -0.34 6.94 -1.26 -3.02 115.26 115.60 2kb5 n ASN 113 Ca -0.18 0.11 -0.19 0.00 -0.02 0.00 0.00 54.58 54.30 2kb5 n ASN 113 Cb 0.57 -1.38 0.04 0.00 -2.36 0.00 0.00 39.78 36.65 2kb5 n ASN 113 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2kb5 s ARG 114 N 7.03 2.45 0.33 -3.83 1.81 -1.23 -5.00 118.95 120.51 2kb5 s ARG 114 Ca 1.07 -1.55 -0.29 0.00 -1.72 0.00 0.00 55.73 53.24 2kb5 s ARG 114 Cb -0.60 -2.65 -0.10 0.00 -0.45 0.00 0.00 34.95 31.15 2kb5 s ARG 114 CO 0.40 -0.68 1.35 0.34 -0.68 0.00 0.00 175.30 176.03 2kb5 s ASP 115 N -4.55 6.70 0.00 0.23 -1.08 -1.26 -4.88 116.67 111.83 2kb5 s ASP 115 Ca 0.58 2.74 0.11 0.00 -0.52 0.00 0.00 52.55 55.46 2kb5 s ASP 115 Cb -0.07 -2.65 0.65 0.00 -1.46 0.00 0.00 42.92 39.40 2kb5 s ASP 115 CO 0.36 -0.60 1.09 -0.81 0.52 0.00 0.00 175.17 175.73 2kb5 n PRO 116 N 0.93 0.49 0.03 4.34 -0.04 -1.26 -2.06 135.00 137.42 2kb5 n PRO 116 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2kb5 n PRO 116 Cb 0.41 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.85 0.32 -0.06 0.54 1.85 -1.26 -4.07 116.66 113.13 2kb5 n ARG 117 Ca 0.08 -0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.86 2kb5 n ARG 117 Cb 0.04 -1.61 -0.07 0.00 -1.05 0.00 0.00 32.46 29.77 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 -2.02 2.73 -3.73 2.89 9.92 -0.88 -4.81 116.55 120.66 2kb5 n ASP 118 Ca 0.02 -0.04 -0.28 0.00 -0.53 0.00 0.00 54.79 53.96 2kb5 n ASP 118 Cb 0.45 0.23 -0.11 0.00 -0.64 0.00 0.00 41.12 41.05 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 -2.66 3.28 0.01 -2.24 2.88 -1.08 -4.92 113.62 108.89 2kb5 n SER 119 Ca -0.20 -3.29 -0.13 0.00 -1.33 0.00 0.00 58.87 53.91 2kb5 n SER 119 Cb 0.79 -0.73 -0.09 0.00 -0.75 0.00 0.00 64.21 63.43 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 4.94 -0.06 -0.32 -1.46 0.13 -1.86 -3.31 132.00 130.06 2kb5 h PRO 120 Ca 0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.17 2kb5 h PRO 120 Cb 0.72 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kb5 h PRO 120 CO 0.76 0.40 -0.31 0.07 -0.23 0.00 0.00 178.00 178.69 2kb5 h ARG 121 N -0.55 0.77 -5.65 0.86 0.11 -1.93 -3.43 114.38 104.56 2kb5 h ARG 121 Ca -0.01 -0.40 -0.66 0.00 0.10 0.00 0.00 59.98 59.01 2kb5 h ARG 121 Cb 0.49 0.01 -0.19 0.00 1.11 0.00 0.00 29.97 31.39 2kb5 h ARG 121 CO 0.01 1.03 -0.66 0.71 0.10 0.00 0.00 179.97 181.16 2kb5 s TYR 122 N -4.37 3.03 0.03 4.08 2.02 -1.25 -5.03 117.35 115.87 2kb5 s TYR 122 Ca -0.12 -0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 2kb5 s TYR 122 Cb 0.09 -1.86 -0.15 0.00 -0.40 0.00 0.00 41.96 39.64 2kb5 s TYR 122 CO 0.84 0.16 1.33 -1.00 -1.57 0.00 0.00 175.55 175.32 2kb5 h PRO 123 N 6.02 0.30 -6.23 -1.71 0.13 -1.84 -3.41 132.00 125.25 2kb5 h PRO 123 Ca -0.40 -0.16 -0.57 0.00 -0.87 0.00 0.00 66.00 64.01 2kb5 h PRO 123 Cb 1.19 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2kb5 h PRO 123 CO 0.59 0.70 -0.59 0.54 -0.23 0.00 0.00 178.00 179.01 2kb5 s VAL 124 N -4.29 4.19 0.11 1.56 0.11 -1.26 -3.51 120.40 117.31 2kb5 s VAL 124 Ca -0.14 -1.29 -0.11 0.00 -2.93 0.00 0.00 61.98 57.50 2kb5 s VAL 124 Cb 0.05 -3.16 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 2kb5 s VAL 124 CO 0.74 -0.17 0.27 0.68 -3.33 0.00 0.00 175.10 173.29 2kb5 s VAL 125 N -1.86 0.11 0.27 2.04 -7.23 -1.17 -4.92 120.40 107.65 2kb5 s VAL 125 Ca 0.30 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.16 2kb5 s VAL 125 Cb -0.09 -1.35 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 2kb5 s VAL 125 CO 0.22 -0.51 1.26 -2.16 -0.31 0.00 0.00 175.10 173.60 2kb5 s PRO 126 N -3.86 4.44 0.00 4.82 0.04 -1.26 -1.81 135.00 137.37 2kb5 s PRO 126 Ca 0.06 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2kb5 s PRO 126 Cb 0.04 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2kb5 s PRO 126 CO -0.10 -0.11 0.29 1.33 0.04 0.00 0.00 177.00 178.45 2kb5 n VAL 127 N 1.58 0.08 -3.62 -0.36 0.24 -0.65 -4.13 118.33 111.48 2kb5 n VAL 127 Ca 0.02 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 2kb5 n VAL 127 Cb 0.43 1.46 -0.07 0.00 -1.47 0.00 0.00 33.84 34.19 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 -0.08 -0.56 -0.36 6.34 5.65 -1.25 -4.92 115.29 120.10 2kb5 s HIS 128 Ca 0.00 1.28 -0.05 0.00 0.25 0.00 0.00 55.06 56.53 2kb5 s HIS 128 Cb 0.00 0.36 0.07 0.00 -1.18 0.00 0.00 32.58 31.82 2kb5 s HIS 128 CO 0.00 -0.32 0.14 -1.17 -0.65 0.00 0.00 174.74 172.74 2kb5 s LEU 129 N -0.05 4.62 0.02 8.88 1.98 -1.26 -0.83 118.68 132.03 2kb5 s LEU 129 Ca 0.00 -1.44 -0.26 0.00 -2.89 0.00 0.00 54.13 49.54 2kb5 s LEU 129 Cb -0.04 -1.86 -0.16 0.00 0.66 0.00 0.00 46.19 44.80 2kb5 s LEU 129 CO -0.02 -0.41 1.20 -0.78 -1.89 0.00 0.00 176.35 174.45 2kb5 h ASP 130 N 8.18 -0.62 -5.55 3.68 1.82 -0.46 -3.49 116.42 119.99 2kb5 h ASP 130 Ca -0.21 -0.05 0.22 0.00 -0.39 0.00 0.00 57.03 56.61 2kb5 h ASP 130 Cb 1.07 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 41.19 2kb5 h ASP 130 CO 0.64 -0.26 0.68 0.28 -1.61 0.00 0.00 179.24 178.97 2kb5 s THR 131 N -4.78 0.00 -0.15 2.25 -1.32 -1.24 -4.94 115.64 105.46 2kb5 s THR 131 Ca -0.14 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 2kb5 s THR 131 Cb 0.02 -2.75 0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2kb5 s THR 131 CO 0.49 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 173.29 2kb5 s THR 132 N -2.25 0.89 0.00 5.08 -4.23 -1.26 -0.46 115.64 113.41 2kb5 s THR 132 Ca 0.22 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2kb5 s THR 132 Cb -0.01 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.72 2kb5 s THR 132 CO 0.03 0.11 0.00 0.00 -0.54 0.00 0.00 174.62 174.21