#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 -1.25 -4.91 135.00 132.14 2kb5 s PRO 2 Ca 0.00 0.51 0.14 0.00 0.04 0.00 0.00 61.00 61.69 2kb5 s PRO 2 Cb 0.00 -1.73 0.61 0.00 0.04 0.00 0.00 34.50 33.42 2kb5 s PRO 2 CO 0.00 -2.77 1.45 -0.35 0.04 0.00 0.00 177.00 175.37 2kb5 n PRO 3 N -4.20 0.00 0.00 0.56 -0.04 -1.26 -2.03 135.00 128.04 2kb5 n PRO 3 Ca 0.05 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 2kb5 n PRO 3 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2kb5 n PRO 3 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2kb5 n GLN 4 N -1.50 0.26 -4.53 0.54 -0.06 -1.26 -4.92 117.38 105.91 2kb5 n GLN 4 Ca 0.03 -0.06 -0.21 0.00 -2.00 0.00 0.00 57.00 54.77 2kb5 n GLN 4 Cb 0.16 -1.53 -0.15 0.00 -4.06 0.00 0.00 30.24 24.66 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 2kb5 s PHE 5 N -3.20 1.11 0.48 3.69 0.08 -0.86 -5.10 117.98 114.18 2kb5 s PHE 5 Ca 0.02 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 2kb5 s PHE 5 Cb 0.15 -0.74 0.12 0.00 -0.57 0.00 0.00 43.02 41.98 2kb5 s PHE 5 CO 0.86 -0.05 0.49 0.25 -0.10 0.00 0.00 175.22 176.67 2kb5 n THR 6 N 2.94 0.00 0.08 0.64 -2.24 -1.26 -3.90 114.28 110.54 2kb5 n THR 6 Ca -0.15 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 2kb5 n THR 6 Cb 0.55 -1.32 -0.11 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.15 0.00 -0.78 3.08 -1.94 -3.02 114.38 111.86 2kb5 h ARG 7 Ca -0.18 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2kb5 h ARG 7 Cb 0.52 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2kb5 h ARG 7 CO 0.12 1.08 -0.18 0.00 -1.07 0.00 0.00 179.97 179.92 2kb5 h ALA 8 N 0.82 0.00 -0.99 0.04 0.00 -1.94 -3.05 119.26 114.15 2kb5 h ALA 8 Ca -0.07 -0.27 0.29 0.00 0.00 0.00 0.00 54.91 54.86 2kb5 h ALA 8 Cb 1.80 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.73 2kb5 h ALA 8 CO 0.16 0.18 0.80 -0.56 0.00 0.00 0.00 179.25 179.83 2kb5 h GLN 9 N -0.51 0.00 0.00 0.00 -0.00 -1.86 1.15 115.11 113.89 2kb5 h GLN 9 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.51 2kb5 h GLN 9 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.64 2kb5 h GLN 9 CO 0.00 0.00 -0.85 2.35 -0.00 0.00 0.00 178.83 180.33 2kb5 h TRP 10 N 0.00 0.00 0.08 0.06 -0.00 -1.69 -3.21 115.95 111.19 2kb5 h TRP 10 Ca 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.35 2kb5 h TRP 10 Cb 2.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.23 2kb5 h TRP 10 CO 0.00 0.61 -0.04 0.35 -0.00 0.00 0.00 178.44 179.36 2kb5 h PHE 11 N 0.00 -0.10 0.00 2.65 3.04 0.15 -2.85 116.94 119.83 2kb5 h PHE 11 Ca -0.06 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.85 2kb5 h PHE 11 Cb 1.51 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 2kb5 h PHE 11 CO 0.00 0.14 -0.19 0.00 -2.02 0.00 0.00 178.31 176.24 2kb5 h ALA 12 N 0.57 1.42 -0.85 2.41 0.00 -1.62 0.45 119.26 121.64 2kb5 h ALA 12 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.84 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 0.02 0.24 0.48 0.82 0.00 0.00 0.00 179.25 180.81 2kb5 h ILE 13 N 0.00 0.85 0.00 0.00 1.08 -1.50 3.02 117.51 120.96 2kb5 h ILE 13 Ca -0.00 -0.26 -0.29 0.00 -0.39 0.00 0.00 64.86 63.91 2kb5 h ILE 13 Cb 0.41 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.13 2kb5 h ILE 13 CO 0.02 0.14 -2.14 0.00 -0.69 0.00 0.00 178.15 175.49 2kb5 n GLN 14 N -4.77 1.25 0.00 2.37 6.02 -1.06 -4.37 117.38 116.82 2kb5 n GLN 14 Ca 0.15 -0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.26 2kb5 n GLN 14 Cb 0.34 -1.43 0.33 0.00 1.02 0.00 0.00 30.24 30.50 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2kb5 n HIS 15 N -2.60 0.00 -3.84 1.08 8.25 0.16 -3.89 115.22 114.37 2kb5 n HIS 15 Ca -0.26 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.07 2kb5 n HIS 15 Cb 1.02 -0.18 -0.14 0.00 1.12 0.00 0.00 29.99 31.82 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 -2.70 -0.01 -0.30 1.59 1.01 1.01 -0.56 121.20 121.23 2kb5 s ILE 16 Ca 0.19 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 2kb5 s ILE 16 Cb 0.19 -0.04 0.18 0.00 0.01 0.00 0.00 42.46 42.80 2kb5 s ILE 16 CO 0.59 0.02 0.97 -0.94 0.00 0.00 0.00 174.94 175.58 2kb5 s SER 17 N 0.24 -0.63 0.16 3.58 1.04 -0.67 -4.16 113.70 113.27 2kb5 s SER 17 Ca -0.02 0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.42 2kb5 s SER 17 Cb -0.03 1.47 0.05 0.00 0.10 0.00 0.00 66.02 67.61 2kb5 s SER 17 CO -0.01 -0.12 1.61 -0.07 0.98 0.00 0.00 173.24 175.64 2kb5 h LEU 18 N 7.74 -0.92 -7.30 2.42 3.38 -1.81 -3.25 115.31 115.57 2kb5 h LEU 18 Ca -0.11 0.17 -0.68 0.00 0.09 0.00 0.00 57.88 57.34 2kb5 h LEU 18 Cb 1.17 0.43 -0.37 0.00 0.09 0.00 0.00 40.66 41.99 2kb5 h LEU 18 CO -0.05 -0.30 -0.30 0.54 0.09 0.00 0.00 178.44 178.43 2kb5 s ASN 19 N -5.05 5.46 -0.37 -0.43 2.20 -1.26 -4.74 114.94 110.75 2kb5 s ASN 19 Ca -0.15 -3.57 -0.28 0.00 -0.94 0.00 0.00 52.86 47.92 2kb5 s ASN 19 Cb 0.13 -1.81 -0.01 0.00 -2.00 0.00 0.00 41.25 37.55 2kb5 s ASN 19 CO 0.68 -0.19 1.71 -2.16 -2.94 0.00 0.00 177.10 174.20 2kb5 s PRO 20 N -1.10 3.35 0.00 3.55 0.04 -1.22 -5.00 135.00 134.62 2kb5 s PRO 20 Ca 0.24 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kb5 s PRO 20 Cb -0.10 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2kb5 s PRO 20 CO -0.11 -1.84 0.00 -0.35 0.04 0.00 0.00 177.00 174.74 2kb5 n PRO 21 N 8.40 0.70 -1.81 0.56 -0.04 -1.26 -4.87 135.00 136.68 2kb5 n PRO 21 Ca 0.21 0.00 -0.43 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 33.91 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 -0.44 3.68 0.50 0.54 1.81 -1.26 -4.69 118.95 119.09 2kb5 s ARG 22 Ca 0.00 2.07 0.34 0.00 -1.72 0.00 0.00 55.73 56.43 2kb5 s ARG 22 Cb 0.00 -4.19 1.18 0.00 -0.45 0.00 0.00 34.95 31.49 2kb5 s ARG 22 CO 0.00 -1.46 1.24 0.00 -0.68 0.00 0.00 175.30 174.40 2kb5 h THR 24 N 0.00 1.18 0.18 0.00 2.02 -1.87 -3.22 112.91 111.20 2kb5 h THR 24 Ca 0.64 -0.64 -0.36 0.00 0.77 0.00 0.00 66.41 66.82 2kb5 h THR 24 Cb 2.93 1.61 0.01 0.00 -1.74 0.00 0.00 68.15 70.95 2kb5 h THR 24 CO -0.01 0.16 -1.80 0.40 0.37 0.00 0.00 175.52 174.65 2kb5 h ILE 25 N -0.31 0.88 -1.54 3.11 2.04 0.95 -3.35 117.51 119.29 2kb5 h ILE 25 Ca -0.00 -2.48 0.50 0.00 1.00 0.00 0.00 64.86 63.88 2kb5 h ILE 25 Cb 0.29 2.72 -0.12 0.00 -0.74 0.00 0.00 36.82 38.97 2kb5 h ILE 25 CO 0.01 0.87 1.03 0.00 0.00 0.00 0.00 178.15 180.06 2kb5 h ALA 26 N 0.10 3.12 -0.49 1.87 0.00 -0.48 2.31 119.26 125.69 2kb5 h ALA 26 Ca -0.36 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 2kb5 h ALA 26 Cb 2.09 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 19.96 2kb5 h ALA 26 CO 0.16 -1.78 0.32 0.00 0.00 0.00 0.00 179.25 177.96 2kb5 n MET 27 N -4.52 1.63 0.00 0.00 0.00 -1.22 -4.36 117.12 108.65 2kb5 n MET 27 Ca 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 57.70 56.63 2kb5 n MET 27 Cb 1.69 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 33.32 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 -0.31 0.00 0.25 3.17 1.74 0.78 -3.35 116.66 118.94 2kb5 n ARG 28 Ca 0.29 0.15 0.07 0.00 -0.77 0.00 0.00 57.85 57.60 2kb5 n ARG 28 Cb 1.08 -0.59 0.60 0.00 -1.02 0.00 0.00 32.46 32.53 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb5 h ALA 29 N -2.00 1.80 -1.00 7.54 0.00 -1.78 -2.85 119.26 120.96 2kb5 h ALA 29 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kb5 h ALA 29 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb5 h ALA 29 CO 0.00 0.11 0.00 -0.89 0.00 0.00 0.00 179.25 178.47 2kb5 n ILE 30 N -4.36 0.00 0.16 0.00 -0.00 -1.26 -2.96 119.36 110.94 2kb5 n ILE 30 Ca -0.03 1.05 0.13 0.00 -0.00 0.00 0.00 62.75 63.90 2kb5 n ILE 30 Cb 0.16 -1.95 0.35 0.00 -0.00 0.00 0.00 39.64 38.20 2kb5 n ILE 30 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2kb5 h ASN 31 N 0.00 0.00 0.00 4.38 -0.26 -1.59 0.34 115.58 118.45 2kb5 h ASN 31 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kb5 h ASN 31 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2kb5 h ASN 31 CO 0.00 0.00 0.23 -3.20 -1.06 0.00 0.00 177.43 173.40 2kb5 n ASN 32 N -2.91 0.40 0.27 5.81 2.85 -1.08 -0.23 115.26 120.38 2kb5 n ASN 32 Ca 0.07 0.61 0.15 0.00 -0.11 0.00 0.00 54.58 55.30 2kb5 n ASN 32 Cb 0.99 -0.58 0.75 0.00 1.24 0.00 0.00 39.78 42.18 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2kb5 h TYR 33 N 0.00 0.00 -3.66 1.20 -0.00 -0.49 -3.46 116.97 110.56 2kb5 h TYR 33 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.51 2kb5 h TYR 33 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.14 2kb5 h TYR 33 CO 0.00 0.08 -0.08 0.54 -0.00 0.00 0.00 178.16 178.70 2kb5 n ARG 34 N -3.34 0.67 0.00 0.10 1.74 0.68 -4.61 116.66 111.91 2kb5 n ARG 34 Ca -0.01 -2.41 0.13 0.00 -0.77 0.00 0.00 57.85 54.79 2kb5 n ARG 34 Cb 0.26 2.40 0.34 0.00 -1.02 0.00 0.00 32.46 34.45 2kb5 n ARG 34 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 2kb5 n TRP 35 N -0.51 0.00 -4.67 -1.55 -0.00 -1.26 -4.92 117.44 104.54 2kb5 n TRP 35 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 2kb5 n TRP 35 Cb 0.52 -0.09 -0.07 0.00 -0.00 0.00 0.00 31.31 31.67 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 -2.44 2.21 0.21 5.87 3.00 -1.26 -4.00 118.95 122.54 2kb5 s ARG 36 Ca 0.25 -2.37 0.11 0.00 0.00 0.00 0.00 55.73 53.71 2kb5 s ARG 36 Cb 0.19 -1.59 -0.05 0.00 0.00 0.00 0.00 34.95 33.51 2kb5 s ARG 36 CO 0.50 -0.41 -0.21 0.00 0.00 0.00 0.00 175.30 175.19 2kb5 s LYS 38 N -2.97 3.71 0.43 0.00 -0.14 -1.26 -4.95 119.74 114.55 2kb5 s LYS 38 Ca 0.22 1.22 0.23 0.00 -1.36 0.00 0.00 55.97 56.28 2kb5 s LYS 38 Cb -0.06 -2.09 0.81 0.00 -1.68 0.00 0.00 37.83 34.81 2kb5 s LYS 38 CO 0.10 -0.49 1.78 -0.91 -0.76 0.00 0.00 175.35 175.07 2kb5 h ASN 39 N 1.13 0.00 -2.38 2.83 4.21 -1.98 -3.42 115.58 115.98 2kb5 h ASN 39 Ca -0.48 0.00 0.16 0.00 1.21 0.00 0.00 56.30 57.19 2kb5 h ASN 39 Cb 1.21 0.00 -0.31 0.00 -1.12 0.00 0.00 38.32 38.10 2kb5 h ASN 39 CO 0.59 0.24 0.70 -1.58 -1.29 0.00 0.00 177.43 176.09 2kb5 s GLN 40 N -3.56 0.19 0.16 0.81 0.74 -1.26 -2.42 119.66 114.32 2kb5 s GLN 40 Ca 0.01 0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.68 2kb5 s GLN 40 Cb 0.10 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 2kb5 s GLN 40 CO 0.65 -0.03 0.05 1.21 -0.55 0.00 0.00 175.29 176.62 2kb5 s ASN 41 N 0.51 0.59 -0.06 6.67 2.47 -1.04 -4.98 114.94 119.09 2kb5 s ASN 41 Ca 0.00 -1.23 -0.02 0.00 0.42 0.00 0.00 52.86 52.03 2kb5 s ASN 41 Cb -0.04 0.25 0.03 0.00 -1.45 0.00 0.00 41.25 40.04 2kb5 s ASN 41 CO -0.12 -0.70 0.07 -0.89 -3.72 0.00 0.00 177.10 171.74 2kb5 s THR 42 N -3.94 -0.12 -0.47 -5.21 2.01 -1.26 -0.21 115.64 106.44 2kb5 s THR 42 Ca 0.26 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.48 2kb5 s THR 42 Cb 0.07 -0.20 0.07 0.00 0.01 0.00 0.00 72.50 72.45 2kb5 s THR 42 CO 0.04 0.14 0.38 -0.36 -0.69 0.00 0.00 174.62 174.12 2kb5 s PHE 43 N 2.18 3.25 -0.15 4.92 0.40 0.15 -4.09 117.98 124.64 2kb5 s PHE 43 Ca 0.05 -0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 55.12 2kb5 s PHE 43 Cb -0.12 -3.13 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 2kb5 s PHE 43 CO -0.04 -0.80 0.96 -0.51 0.70 0.00 0.00 175.22 175.54 2kb5 s LEU 44 N 1.62 4.20 -1.16 -0.37 1.43 0.28 -0.29 118.68 124.39 2kb5 s LEU 44 Ca 0.04 1.40 -0.22 0.00 -1.03 0.00 0.00 54.13 54.32 2kb5 s LEU 44 Cb -0.24 -3.46 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 2kb5 s LEU 44 CO 0.06 -0.47 1.91 0.54 0.23 0.00 0.00 176.35 178.62 2kb5 n ARG 45 N 5.31 1.79 -3.49 1.70 1.74 -0.77 -1.67 116.66 121.26 2kb5 n ARG 45 Ca 0.08 -2.49 -0.10 0.00 -0.77 0.00 0.00 57.85 54.56 2kb5 n ARG 45 Cb 0.48 -3.61 -0.02 0.00 -1.02 0.00 0.00 32.46 28.29 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 9.51 0.00 0.54 0.55 -1.32 -1.26 -4.66 115.64 118.99 2kb5 s THR 46 Ca 0.65 -0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.92 2kb5 s THR 46 Cb 0.02 -1.12 -0.05 0.00 -1.51 0.00 0.00 72.50 69.84 2kb5 s THR 46 CO 0.13 0.00 0.93 -0.89 -2.21 0.00 0.00 174.62 172.57 2kb5 s THR 47 N -3.55 4.73 0.44 5.08 2.01 -1.26 -4.44 115.64 118.66 2kb5 s THR 47 Ca 0.03 0.75 0.13 0.00 0.31 0.00 0.00 61.69 62.92 2kb5 s THR 47 Cb -0.01 -3.82 0.31 0.00 0.01 0.00 0.00 72.50 68.99 2kb5 s THR 47 CO -0.10 -0.90 2.01 0.15 -0.69 0.00 0.00 174.62 175.09 2kb5 h PHE 48 N 0.27 0.41 0.42 4.92 3.57 -1.98 -2.53 116.94 122.02 2kb5 h PHE 48 Ca -0.46 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 2kb5 h PHE 48 Cb 1.19 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2kb5 h PHE 48 CO 0.63 0.21 -0.20 0.00 -2.23 0.00 0.00 178.31 176.72 2kb5 h ALA 49 N 1.73 -0.56 -0.05 2.41 0.00 -1.99 -0.29 119.26 120.50 2kb5 h ALA 49 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kb5 h ALA 49 Cb 0.40 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kb5 h ALA 49 CO -0.06 -0.74 0.34 -0.91 0.00 0.00 0.00 179.25 177.88 2kb5 h ASN 50 N -0.72 0.00 0.33 0.00 2.35 -1.84 0.19 115.58 115.89 2kb5 h ASN 50 Ca -0.06 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.37 2kb5 h ASN 50 Cb 0.51 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 2kb5 h ASN 50 CO 0.09 0.00 -1.84 0.52 -1.65 0.00 0.00 177.43 174.56 2kb5 n VAL 51 N -2.99 1.69 -0.17 2.81 0.31 -0.91 -3.79 118.33 115.27 2kb5 n VAL 51 Ca -0.01 -0.74 -0.05 0.00 -0.01 0.00 0.00 64.34 63.54 2kb5 n VAL 51 Cb 0.40 -1.34 0.13 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.03 1.24 0.00 2.52 2.07 0.11 -2.17 116.25 120.06 2kb5 h VAL 52 Ca -0.35 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 2kb5 h VAL 52 Cb 2.02 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2kb5 h VAL 52 CO 0.08 0.34 -0.13 -1.13 0.02 0.00 0.00 177.57 176.76 2kb5 h ASN 53 N 0.89 0.00 0.41 0.57 -1.24 -1.54 -2.81 115.58 111.86 2kb5 h ASN 53 Ca 0.19 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.10 2kb5 h ASN 53 Cb 0.36 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2kb5 h ASN 53 CO 0.00 0.13 -0.44 0.58 -1.29 0.00 0.00 177.43 176.41 2kb5 h VAL 54 N 0.00 1.32 0.00 2.57 2.07 -1.48 -2.59 116.25 118.13 2kb5 h VAL 54 Ca -0.00 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 2kb5 h VAL 54 Cb 0.64 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2kb5 h VAL 54 CO 0.02 0.44 -0.14 0.00 0.02 0.00 0.00 177.57 177.91 2kb5 n GLY 56 N -0.34 -0.90 3.91 0.00 0.00 -0.98 -4.81 105.19 102.07 2kb5 n GLY 56 Ca -0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.93 5.46 -0.61 1.61 -0.87 -0.77 -4.90 114.94 112.93 2kb5 s ASN 57 Ca 0.44 0.85 -0.34 0.00 -1.57 0.00 0.00 52.86 52.23 2kb5 s ASN 57 Cb 0.20 -1.74 -0.16 0.00 -0.02 0.00 0.00 41.25 39.54 2kb5 s ASN 57 CO 0.34 -1.22 2.38 1.67 -2.57 0.00 0.00 177.10 177.70 2kb5 n GLN 58 N -2.77 0.49 -1.03 -0.60 0.00 -1.26 -4.85 117.38 107.35 2kb5 n GLN 58 Ca 0.06 0.09 -0.30 0.00 -0.00 0.00 0.00 57.00 56.85 2kb5 n GLN 58 Cb 0.58 -2.09 0.16 0.00 0.00 0.00 0.00 30.24 28.88 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 8.31 3.02 0.21 1.69 1.04 -1.26 -4.42 113.70 122.29 2kb5 s SER 59 Ca 1.19 1.59 -0.21 0.00 0.48 0.00 0.00 55.95 59.00 2kb5 s SER 59 Cb -1.02 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 62.88 2kb5 s SER 59 CO 0.49 -2.94 0.62 0.27 0.98 0.00 0.00 173.24 172.66 2kb5 s ILE 60 N -2.82 0.01 -0.26 -1.02 -4.36 -1.11 -4.99 121.20 106.64 2kb5 s ILE 60 Ca 0.65 -0.59 -0.29 0.00 -0.26 0.00 0.00 60.65 60.16 2kb5 s ILE 60 Cb -0.20 -1.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.98 2kb5 s ILE 60 CO 0.58 -0.03 1.31 0.00 0.24 0.00 0.00 174.94 177.04 2kb5 s ARG 61 N -3.85 3.98 0.46 0.37 1.70 -1.26 -4.36 118.95 115.99 2kb5 s ARG 61 Ca 0.07 1.38 -0.24 0.00 -0.47 0.00 0.00 55.73 56.46 2kb5 s ARG 61 Cb -0.03 -3.86 -0.07 0.00 -0.57 0.00 0.00 34.95 30.42 2kb5 s ARG 61 CO -0.03 -1.03 1.33 0.00 -1.08 0.00 0.00 175.30 174.49 2kb5 h PRO 63 N 2.17 0.00 0.00 0.00 0.13 -1.94 -2.75 132.00 129.62 2kb5 h PRO 63 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2kb5 h PRO 63 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kb5 h PRO 63 CO 0.60 0.29 -0.21 1.25 -0.23 0.00 0.00 178.00 179.71 2kb5 h HIS 64 N 0.00 0.00 -2.52 1.56 2.76 -1.95 -3.40 115.15 111.60 2kb5 h HIS 64 Ca -0.00 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.79 2kb5 h HIS 64 Cb 0.71 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.31 2kb5 h HIS 64 CO 0.00 0.21 -0.67 -0.80 -1.30 0.00 0.00 177.93 175.37 2kb5 s ASN 65 N -6.16 1.96 0.00 3.26 -0.87 -1.04 -4.99 114.94 107.12 2kb5 s ASN 65 Ca 0.01 -0.61 0.16 0.00 -1.57 0.00 0.00 52.86 50.85 2kb5 s ASN 65 Cb 0.10 0.22 0.96 0.00 -0.02 0.00 0.00 41.25 42.51 2kb5 s ASN 65 CO 0.63 -0.37 1.42 -2.11 -2.57 0.00 0.00 177.10 174.10 2kb5 n ARG 66 N 5.30 0.69 -2.45 -0.60 1.85 -1.25 -2.99 116.66 117.21 2kb5 n ARG 66 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.66 2kb5 n ARG 66 Cb 0.47 -1.36 0.03 0.00 -1.05 0.00 0.00 32.46 30.55 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 -0.86 1.87 -3.54 8.89 5.66 -1.26 -5.01 114.28 120.03 2kb5 n THR 67 Ca 0.12 -3.73 -0.00 0.00 -3.05 0.00 0.00 64.05 57.39 2kb5 n THR 67 Cb 0.06 -0.09 -0.04 0.00 -1.55 0.00 0.00 70.33 68.71 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 -3.60 -1.17 -0.62 1.09 2.96 -1.16 -5.08 118.68 111.10 2kb5 s LEU 68 Ca 0.39 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.75 2kb5 s LEU 68 Cb 0.38 2.23 0.27 0.00 0.50 0.00 0.00 46.19 49.57 2kb5 s LEU 68 CO -0.02 -0.23 0.77 0.59 -1.32 0.00 0.00 176.35 176.14 2kb5 n ASN 69 N 5.44 3.74 -0.33 3.68 5.03 -1.26 -3.45 115.26 128.12 2kb5 n ASN 69 Ca -0.09 -3.46 0.05 0.00 0.87 0.00 0.00 54.58 51.95 2kb5 n ASN 69 Cb 0.49 -0.65 0.07 0.00 -1.02 0.00 0.00 39.78 38.68 2kb5 n ASN 69 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2kb5 n ASN 70 N 0.68 1.19 -4.46 6.41 5.15 -1.26 -4.91 115.26 118.05 2kb5 n ASN 70 Ca 0.30 -2.57 -0.23 0.00 -0.60 0.00 0.00 54.58 51.48 2kb5 n ASN 70 Cb 0.41 -0.32 -0.10 0.00 -0.53 0.00 0.00 39.78 39.24 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 -2.76 0.32 -0.26 0.00 3.76 -1.17 -2.76 115.29 112.43 2kb5 s HIS 72 Ca 0.29 -0.45 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 2kb5 s HIS 72 Cb 0.01 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.43 2kb5 s HIS 72 CO 0.13 -0.14 0.17 0.50 -0.85 0.00 0.00 174.74 174.55 2kb5 s ARG 73 N -1.27 3.99 0.12 1.40 3.52 -1.26 -3.17 118.95 122.28 2kb5 s ARG 73 Ca -0.12 -0.30 -0.35 0.00 -0.13 0.00 0.00 55.73 54.82 2kb5 s ARG 73 Cb -0.09 -3.58 -0.16 0.00 -1.56 0.00 0.00 34.95 29.57 2kb5 s ARG 73 CO -0.01 -0.06 1.31 0.45 -0.81 0.00 0.00 175.30 176.19 2kb5 n SER 74 N 4.65 1.72 0.18 -2.12 2.88 -1.04 -4.86 113.62 115.03 2kb5 n SER 74 Ca -0.15 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.58 2kb5 n SER 74 Cb 0.52 -1.22 0.17 0.00 -0.75 0.00 0.00 64.21 62.93 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 4.34 0.00 -6.24 -1.46 -0.00 -1.94 -3.43 114.38 105.65 2kb5 h ARG 75 Ca -0.46 0.00 -0.56 0.00 -0.00 0.00 0.00 59.98 58.96 2kb5 h ARG 75 Cb 1.33 0.00 -0.09 0.00 -0.00 0.00 0.00 29.97 31.21 2kb5 h ARG 75 CO 0.76 0.34 -0.61 -0.06 -0.00 0.00 0.00 179.97 180.40 2kb5 s PHE 76 N -3.19 2.87 -0.04 4.08 0.08 -1.26 -5.10 117.98 115.42 2kb5 s PHE 76 Ca 0.04 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 2kb5 s PHE 76 Cb 0.08 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 2kb5 s PHE 76 CO 0.70 0.56 0.17 1.03 -0.10 0.00 0.00 175.22 177.58 2kb5 s ARG 77 N -3.46 3.43 0.01 0.44 3.00 -1.26 -4.54 118.95 116.57 2kb5 s ARG 77 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 55.73 55.69 2kb5 s ARG 77 Cb -0.08 -3.11 -0.00 0.00 0.00 0.00 0.00 34.95 31.76 2kb5 s ARG 77 CO 0.21 0.70 0.12 0.14 0.00 0.00 0.00 175.30 176.47 2kb5 s VAL 78 N -1.25 0.10 -0.54 3.52 -7.23 -1.05 -4.90 120.40 109.05 2kb5 s VAL 78 Ca 0.24 -0.81 -0.27 0.00 -1.81 0.00 0.00 61.98 59.33 2kb5 s VAL 78 Cb -0.12 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 2kb5 s VAL 78 CO 0.15 -0.45 1.82 -2.16 -0.31 0.00 0.00 175.10 174.15 2kb5 s PRO 79 N -1.73 2.83 0.47 4.82 0.04 -1.26 -2.62 135.00 137.56 2kb5 s PRO 79 Ca -0.12 0.80 0.08 0.00 0.04 0.00 0.00 61.00 61.80 2kb5 s PRO 79 Cb -0.06 -4.33 0.03 0.00 0.04 0.00 0.00 34.50 30.18 2kb5 s PRO 79 CO -0.00 -2.48 0.59 -0.48 0.04 0.00 0.00 177.00 174.67 2kb5 s LEU 80 N 8.39 3.39 -0.02 -3.56 0.05 0.16 -1.85 118.68 125.23 2kb5 s LEU 80 Ca 0.69 -0.66 0.03 0.00 0.05 0.00 0.00 54.13 54.24 2kb5 s LEU 80 Cb -0.15 -2.16 -0.00 0.00 -2.05 0.00 0.00 46.19 41.84 2kb5 s LEU 80 CO 0.24 -0.93 -0.09 -0.76 -0.55 0.00 0.00 176.35 174.25 2kb5 s LEU 81 N -4.40 1.87 -0.18 1.48 2.01 0.60 -1.75 118.68 118.31 2kb5 s LEU 81 Ca 0.54 -0.18 -0.05 0.00 0.01 0.00 0.00 54.13 54.45 2kb5 s LEU 81 Cb -0.07 -0.54 -0.03 0.00 0.01 0.00 0.00 46.19 45.56 2kb5 s LEU 81 CO 0.33 0.08 -0.00 -1.00 1.01 0.00 0.00 176.35 176.77 2kb5 s HIS 82 N 0.05 3.08 -0.64 0.29 3.76 -0.19 0.29 115.29 121.93 2kb5 s HIS 82 Ca -0.01 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.70 2kb5 s HIS 82 Cb -0.07 -2.03 0.21 0.00 1.11 0.00 0.00 32.58 31.80 2kb5 s HIS 82 CO 0.00 -0.05 0.59 0.00 -0.85 0.00 0.00 174.74 174.43 2kb5 s ASP 84 N -1.77 7.16 -0.41 0.00 2.15 -0.93 -2.51 116.67 120.36 2kb5 s ASP 84 Ca 0.32 1.42 -0.33 0.00 0.43 0.00 0.00 52.55 54.39 2kb5 s ASP 84 Cb 0.06 -2.52 -0.11 0.00 -0.30 0.00 0.00 42.92 40.04 2kb5 s ASP 84 CO -0.10 -0.37 2.27 -0.11 -0.17 0.00 0.00 175.17 176.68 2kb5 n LEU 85 N 4.77 2.06 0.00 -1.34 7.94 -1.01 0.28 117.00 129.70 2kb5 n LEU 85 Ca 0.06 0.26 0.06 0.00 -1.11 0.00 0.00 56.01 55.28 2kb5 n LEU 85 Cb 0.49 -1.29 0.32 0.00 0.53 0.00 0.00 43.42 43.47 2kb5 n LEU 85 CO 0.51 -0.84 0.61 -0.38 -1.11 0.00 0.00 177.39 176.18 2kb5 n ILE 86 N 7.37 0.44 -3.65 1.96 5.41 0.86 -3.99 119.36 127.76 2kb5 n ILE 86 Ca 0.42 0.11 -0.36 0.00 1.00 0.00 0.00 62.75 63.92 2kb5 n ILE 86 Cb 0.27 -0.92 -0.07 0.00 -0.71 0.00 0.00 39.64 38.21 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 -2.36 5.85 -0.29 4.38 0.01 -1.25 -4.99 114.94 116.29 2kb5 s ASN 87 Ca 0.14 -3.56 -0.29 0.00 -0.71 0.00 0.00 52.86 48.44 2kb5 s ASN 87 Cb 0.08 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.82 2kb5 s ASN 87 CO 0.16 -0.22 1.66 -2.16 -1.51 0.00 0.00 177.10 175.03 2kb5 s PRO 88 N -1.11 3.59 0.00 -0.60 0.04 -1.26 -2.27 135.00 133.40 2kb5 s PRO 88 Ca 0.25 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2kb5 s PRO 88 Cb -0.09 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2kb5 s PRO 88 CO -0.11 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.80 2kb5 n GLY 89 N 5.01 0.40 3.83 0.56 0.00 -1.26 -5.08 105.19 108.65 2kb5 n GLY 89 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 3.65 -0.48 4.61 0.00 -0.96 -5.03 121.76 121.55 2kb5 s ALA 90 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.92 2kb5 s ALA 90 Cb 0.00 -2.49 0.27 0.00 0.00 0.00 0.00 23.12 20.90 2kb5 s ALA 90 CO 0.00 0.45 0.67 0.94 0.00 0.00 0.00 175.76 177.81 2kb5 n GLN 91 N 1.75 1.57 -3.43 0.00 7.27 -1.26 -4.98 117.38 118.29 2kb5 n GLN 91 Ca -0.12 -3.86 -0.14 0.00 0.07 0.00 0.00 57.00 52.95 2kb5 n GLN 91 Cb 0.52 -1.71 -0.11 0.00 2.41 0.00 0.00 30.24 31.35 2kb5 n GLN 91 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 2kb5 s ASN 92 N -2.00 0.87 0.44 1.69 -0.87 -1.26 -4.91 114.94 108.90 2kb5 s ASN 92 Ca 0.39 -0.02 0.29 0.00 -1.57 0.00 0.00 52.86 51.95 2kb5 s ASN 92 Cb 0.20 0.71 1.59 0.00 -0.02 0.00 0.00 41.25 43.74 2kb5 s ASN 92 CO -0.08 -0.31 1.89 0.16 -2.57 0.00 0.00 177.10 176.19 2kb5 h ILE 93 N 6.25 0.00 0.00 0.60 3.07 -1.86 0.63 117.51 126.20 2kb5 h ILE 93 Ca -0.18 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 66.13 2kb5 h ILE 93 Cb 1.15 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 2kb5 h ILE 93 CO 0.28 0.00 -0.53 0.77 -1.05 0.00 0.00 178.15 177.62 2kb5 h SER 94 N 0.00 0.00 0.00 2.16 4.64 -1.94 -3.32 113.55 115.08 2kb5 h SER 94 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2kb5 h SER 94 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 2kb5 h SER 94 CO 0.00 0.47 -0.44 -3.20 -0.87 0.00 0.00 176.83 172.80 2kb5 n ASN 95 N -3.20 1.17 -4.51 4.97 5.15 0.23 -5.02 115.26 114.06 2kb5 n ASN 95 Ca 0.01 -2.63 -0.43 0.00 -0.60 0.00 0.00 54.58 50.94 2kb5 n ASN 95 Cb 0.73 -0.34 -0.04 0.00 -0.53 0.00 0.00 39.78 39.60 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb5 s ARG 97 N 4.04 3.93 -0.02 0.00 0.52 -1.26 -4.95 118.95 121.21 2kb5 s ARG 97 Ca 0.29 0.42 0.07 0.00 -0.52 0.00 0.00 55.73 55.98 2kb5 s ARG 97 Cb -0.13 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 2kb5 s ARG 97 CO 0.17 0.58 -0.23 0.71 0.02 0.00 0.00 175.30 176.56 2kb5 s TYR 98 N -1.30 2.44 -0.41 -0.53 2.02 -1.26 -0.10 117.35 118.21 2kb5 s TYR 98 Ca 0.32 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 2kb5 s TYR 98 Cb -0.16 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 2kb5 s TYR 98 CO 0.17 0.05 0.42 0.00 -1.57 0.00 0.00 175.55 174.62 2kb5 s ALA 99 N -0.67 3.44 0.17 3.71 0.00 0.14 -4.47 121.76 124.08 2kb5 s ALA 99 Ca 0.11 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2kb5 s ALA 99 Cb -0.10 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2kb5 s ALA 99 CO -0.00 -1.51 1.04 0.34 0.00 0.00 0.00 175.76 175.62 2kb5 s ASP 100 N 1.79 7.39 -0.26 0.00 2.15 -1.22 -2.19 116.67 124.32 2kb5 s ASP 100 Ca 0.12 1.98 -0.01 0.00 0.43 0.00 0.00 52.55 55.07 2kb5 s ASP 100 Cb -0.17 -2.60 0.14 0.00 -0.30 0.00 0.00 42.92 39.99 2kb5 s ASP 100 CO 0.13 -0.12 0.35 -0.60 -0.17 0.00 0.00 175.17 174.76 2kb5 s ARG 101 N -0.38 0.34 0.63 4.34 3.00 0.34 -4.92 118.95 122.30 2kb5 s ARG 101 Ca 0.47 0.24 -0.16 0.00 -1.00 0.00 0.00 55.73 55.28 2kb5 s ARG 101 Cb -0.27 -0.56 -0.01 0.00 0.00 0.00 0.00 34.95 34.11 2kb5 s ARG 101 CO 0.33 -0.84 1.11 -1.25 0.00 0.00 0.00 175.30 174.66 2kb5 s PRO 102 N 2.48 2.93 -0.14 5.12 0.04 -1.26 -1.02 135.00 143.15 2kb5 s PRO 102 Ca 0.10 1.43 -0.34 0.00 0.04 0.00 0.00 61.00 62.24 2kb5 s PRO 102 Cb -0.14 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.57 2kb5 s PRO 102 CO -0.23 -1.16 1.21 0.20 0.04 0.00 0.00 177.00 177.07 2kb5 s GLY 103 N -2.42 -0.33 -0.25 0.56 0.00 -0.72 -4.93 107.32 99.25 2kb5 s GLY 103 Ca 0.68 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.75 2kb5 s GLY 103 CO 0.38 0.42 -0.02 -1.60 0.00 0.00 0.00 173.10 172.28 2kb5 s ARG 104 N -2.46 1.44 0.21 2.90 3.52 -1.26 0.37 118.95 123.67 2kb5 s ARG 104 Ca 0.10 -1.01 -0.12 0.00 -0.13 0.00 0.00 55.73 54.57 2kb5 s ARG 104 Cb 0.00 -2.54 0.05 0.00 -1.56 0.00 0.00 34.95 30.90 2kb5 s ARG 104 CO -0.04 -0.66 0.62 0.54 -0.81 0.00 0.00 175.30 174.94 2kb5 n ARG 105 N 4.69 0.64 -0.95 5.12 1.74 -1.08 -4.85 116.66 121.97 2kb5 n ARG 105 Ca -0.10 -1.31 -0.14 0.00 -0.77 0.00 0.00 57.85 55.53 2kb5 n ARG 105 Cb 0.44 1.69 0.10 0.00 -1.02 0.00 0.00 32.46 33.66 2kb5 n ARG 105 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kb5 n PHE 106 N -0.43 -3.94 -3.69 -1.55 3.72 -1.22 -2.54 117.46 107.81 2kb5 n PHE 106 Ca -0.04 -0.58 -0.11 0.00 -0.05 0.00 0.00 57.45 56.66 2kb5 n PHE 106 Cb 0.41 -0.48 -0.09 0.00 -0.94 0.00 0.00 39.48 38.37 2kb5 n PHE 106 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kb5 s TYR 107 N -2.31 -0.64 -0.46 1.38 -0.85 -1.26 -1.74 117.35 111.46 2kb5 s TYR 107 Ca 0.36 1.43 -0.13 0.00 -0.52 0.00 0.00 57.07 58.20 2kb5 s TYR 107 Cb -0.01 0.28 0.08 0.00 0.38 0.00 0.00 41.96 42.69 2kb5 s TYR 107 CO 0.25 -0.33 0.36 0.08 -1.52 0.00 0.00 175.55 174.39 2kb5 s VAL 108 N 0.86 4.91 -0.06 -3.49 1.01 0.29 -2.49 120.40 121.43 2kb5 s VAL 108 Ca -0.05 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 60.76 2kb5 s VAL 108 Cb -0.05 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2kb5 s VAL 108 CO -0.07 -0.58 -0.18 0.68 0.00 0.00 0.00 175.10 174.94 2kb5 s VAL 109 N 1.57 2.66 -0.46 2.92 -7.23 -1.19 -0.45 120.40 118.23 2kb5 s VAL 109 Ca 0.04 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.13 2kb5 s VAL 109 Cb -0.24 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.70 2kb5 s VAL 109 CO 0.05 0.57 0.77 0.00 -0.31 0.00 0.00 175.10 176.18 2kb5 s ALA 110 N -0.39 3.29 -0.01 1.32 0.00 0.50 -3.02 121.76 123.46 2kb5 s ALA 110 Ca 0.04 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.72 2kb5 s ALA 110 Cb -0.12 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2kb5 s ALA 110 CO 0.02 -1.94 0.55 0.00 0.00 0.00 0.00 175.76 174.39 2kb5 s ASP 112 N -0.33 0.22 0.18 0.00 2.15 -0.35 -4.83 116.67 113.71 2kb5 s ASP 112 Ca 0.29 -1.14 -0.33 0.00 0.43 0.00 0.00 52.55 51.80 2kb5 s ASP 112 Cb -0.18 0.34 -0.14 0.00 -0.30 0.00 0.00 42.92 42.65 2kb5 s ASP 112 CO 0.16 -0.79 1.48 0.59 -0.17 0.00 0.00 175.17 176.44 2kb5 n ASN 113 N -0.15 2.79 -4.87 -0.34 4.13 -1.26 -2.24 115.26 113.32 2kb5 n ASN 113 Ca -0.05 1.11 -0.26 0.00 1.68 0.00 0.00 54.58 57.06 2kb5 n ASN 113 Cb 0.64 -1.40 -0.02 0.00 -1.54 0.00 0.00 39.78 37.45 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s ARG 114 N 0.34 2.29 0.36 3.52 1.04 -1.23 -4.90 118.95 120.35 2kb5 s ARG 114 Ca 0.75 -1.95 -0.26 0.00 -1.04 0.00 0.00 55.73 53.23 2kb5 s ARG 114 Cb -0.70 -2.09 -0.09 0.00 -2.04 0.00 0.00 34.95 30.03 2kb5 s ARG 114 CO 0.43 -0.47 1.08 -0.51 -0.04 0.00 0.00 175.30 175.79 2kb5 s ASP 115 N -4.19 6.90 0.00 -2.89 1.01 -1.26 -4.91 116.67 111.34 2kb5 s ASP 115 Ca 0.36 2.15 0.10 0.00 0.71 0.00 0.00 52.55 55.86 2kb5 s ASP 115 Cb -0.01 -2.60 0.61 0.00 1.01 0.00 0.00 42.92 41.92 2kb5 s ASP 115 CO 0.21 -0.39 1.04 -0.81 0.21 0.00 0.00 175.17 175.43 2kb5 n PRO 116 N 0.37 0.49 0.00 8.23 -0.04 -1.26 -1.74 135.00 141.05 2kb5 n PRO 116 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2kb5 n PRO 116 Cb 0.48 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.82 1.70 -0.03 0.54 1.85 -1.26 -4.66 116.66 113.97 2kb5 n ARG 117 Ca 0.08 -1.16 -0.07 0.00 -1.00 0.00 0.00 57.85 55.69 2kb5 n ARG 117 Cb 0.03 -0.99 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.33 1.12 -3.87 2.89 9.92 -0.71 -4.89 116.55 120.67 2kb5 n ASP 118 Ca 0.00 0.06 -0.28 0.00 -0.53 0.00 0.00 54.79 54.04 2kb5 n ASP 118 Cb 0.18 -0.18 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kb5 s SER 119 N -5.41 4.62 0.47 -2.24 0.15 -1.10 -4.91 113.70 105.27 2kb5 s SER 119 Ca -0.09 -3.81 0.25 0.00 0.70 0.00 0.00 55.95 53.00 2kb5 s SER 119 Cb 0.03 -1.56 1.08 0.00 -1.71 0.00 0.00 66.02 63.86 2kb5 s SER 119 CO 0.13 -0.09 1.89 1.55 1.20 0.00 0.00 173.24 177.92 2kb5 h PRO 120 N 5.41 0.00 0.00 5.44 0.13 -1.84 -3.32 132.00 137.81 2kb5 h PRO 120 Ca 0.15 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.08 2kb5 h PRO 120 Cb 0.76 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 2kb5 h PRO 120 CO 0.70 0.19 -1.52 2.89 -0.23 0.00 0.00 178.00 180.03 2kb5 n ARG 121 N -3.43 0.54 -3.10 0.86 1.85 -1.26 -4.93 116.66 107.20 2kb5 n ARG 121 Ca -0.00 0.35 -0.39 0.00 -1.00 0.00 0.00 57.85 56.80 2kb5 n ARG 121 Cb 0.38 -1.55 -0.05 0.00 -1.05 0.00 0.00 32.46 30.18 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 -2.56 3.55 -0.02 2.89 2.02 -1.25 -4.99 117.35 117.00 2kb5 s TYR 122 Ca -0.30 1.16 -0.25 0.00 -0.37 0.00 0.00 57.07 57.30 2kb5 s TYR 122 Cb 0.08 -2.76 -0.20 0.00 -0.40 0.00 0.00 41.96 38.68 2kb5 s TYR 122 CO 0.45 0.08 1.27 -1.00 -1.57 0.00 0.00 175.55 174.78 2kb5 h PRO 123 N 6.81 0.03 -6.18 -1.71 0.13 -1.92 -3.42 132.00 125.74 2kb5 h PRO 123 Ca -0.40 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.19 2kb5 h PRO 123 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2kb5 h PRO 123 CO 0.76 0.51 -0.53 0.54 -0.23 0.00 0.00 178.00 179.05 2kb5 s VAL 124 N -4.25 3.80 0.01 1.56 0.11 -1.26 -3.56 120.40 116.80 2kb5 s VAL 124 Ca -0.16 -1.53 -0.17 0.00 -2.93 0.00 0.00 61.98 57.20 2kb5 s VAL 124 Cb 0.02 -3.18 0.03 0.00 -1.53 0.00 0.00 36.38 31.72 2kb5 s VAL 124 CO 0.68 -0.28 0.36 0.68 -3.33 0.00 0.00 175.10 173.21 2kb5 s VAL 125 N -2.26 0.06 0.16 2.04 -7.23 -0.95 -4.90 120.40 107.31 2kb5 s VAL 125 Ca 0.36 -0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 59.74 2kb5 s VAL 125 Cb -0.06 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 36.01 2kb5 s VAL 125 CO 0.24 -0.26 1.33 -2.16 -0.31 0.00 0.00 175.10 173.93 2kb5 s PRO 126 N -1.81 4.37 0.00 4.82 0.04 -1.26 -1.21 135.00 139.95 2kb5 s PRO 126 Ca -0.10 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2kb5 s PRO 126 Cb -0.03 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2kb5 s PRO 126 CO 0.02 -0.31 0.59 1.33 0.04 0.00 0.00 177.00 178.66 2kb5 n VAL 127 N 3.17 0.28 -3.61 -0.36 0.24 -0.27 -4.38 118.33 113.41 2kb5 n VAL 127 Ca 0.08 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2kb5 n VAL 127 Cb 0.43 0.97 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 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 -0.28 -0.54 -0.24 6.34 5.65 -1.24 -4.96 115.29 120.01 2kb5 s HIS 128 Ca 0.00 1.21 0.02 0.00 0.25 0.00 0.00 55.06 56.54 2kb5 s HIS 128 Cb 0.00 0.37 0.06 0.00 -1.18 0.00 0.00 32.58 31.82 2kb5 s HIS 128 CO 0.00 -0.33 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.50 2kb5 s LEU 129 N -0.18 2.87 -0.02 8.88 1.98 -1.26 -0.37 118.68 130.58 2kb5 s LEU 129 Ca -0.00 -1.20 -0.21 0.00 -2.89 0.00 0.00 54.13 49.83 2kb5 s LEU 129 Cb -0.03 -1.35 -0.13 0.00 0.66 0.00 0.00 46.19 45.34 2kb5 s LEU 129 CO -0.01 -0.19 0.89 -0.78 -1.89 0.00 0.00 176.35 174.37 2kb5 h ASP 130 N 7.88 -0.47 -5.56 3.68 1.82 -1.15 -3.49 116.42 119.12 2kb5 h ASP 130 Ca -0.21 -0.08 0.23 0.00 -0.39 0.00 0.00 57.03 56.58 2kb5 h ASP 130 Cb 1.06 0.12 -0.05 0.00 0.68 0.00 0.00 39.33 41.14 2kb5 h ASP 130 CO 0.45 -0.04 0.69 0.28 -1.61 0.00 0.00 179.24 179.01 2kb5 s THR 131 N -3.89 0.00 -0.22 2.25 -1.32 -1.25 -5.01 115.64 106.20 2kb5 s THR 131 Ca -0.11 -0.44 0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2kb5 s THR 131 Cb 0.01 -2.77 0.05 0.00 -1.51 0.00 0.00 72.50 68.28 2kb5 s THR 131 CO 0.38 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 173.12 2kb5 s THR 132 N -2.22 1.70 0.00 5.08 -4.23 -1.26 -0.54 115.64 114.17 2kb5 s THR 132 Ca 0.23 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2kb5 s THR 132 Cb -0.01 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.00 2kb5 s THR 132 CO 0.03 0.07 0.16 0.00 -0.54 0.00 0.00 174.62 174.34