#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 0.39 0.00 5.56 0.04 -1.26 -4.88 135.00 134.85 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 0.83 0.00 0.04 0.00 0.00 34.50 33.64 2kb5 s PRO 2 CO 0.00 -2.76 1.38 -0.35 0.04 0.00 0.00 177.00 175.31 2kb5 n PRO 3 N -4.19 0.34 0.03 0.56 -0.04 -1.26 -2.70 135.00 127.74 2kb5 n PRO 3 Ca 0.05 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 2kb5 n PRO 3 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2kb5 n PRO 3 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kb5 h GLN 4 N 0.00 0.32 -5.87 0.54 4.20 -2.05 -3.48 115.11 108.76 2kb5 h GLN 4 Ca 0.00 -0.54 -0.51 0.00 0.06 0.00 0.00 58.65 57.66 2kb5 h GLN 4 Cb 0.08 0.20 -0.17 0.00 0.30 0.00 0.00 27.48 27.88 2kb5 h GLN 4 CO 0.00 1.26 -0.77 -0.06 -0.67 0.00 0.00 178.83 178.58 2kb5 s PHE 5 N -2.55 1.80 0.60 2.96 0.08 -1.10 -5.11 117.98 114.65 2kb5 s PHE 5 Ca -0.20 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.25 2kb5 s PHE 5 Cb 0.06 -0.89 -0.05 0.00 -0.57 0.00 0.00 43.02 41.57 2kb5 s PHE 5 CO 0.80 0.33 1.02 0.95 -0.10 0.00 0.00 175.22 178.23 2kb5 s THR 6 N -2.17 4.69 0.56 0.64 -4.23 -1.26 -4.09 115.64 109.78 2kb5 s THR 6 Ca 0.17 0.92 0.28 0.00 -1.18 0.00 0.00 61.69 61.88 2kb5 s THR 6 Cb -0.05 -3.85 0.40 0.00 1.34 0.00 0.00 72.50 70.34 2kb5 s THR 6 CO 0.07 -1.07 1.95 0.03 -0.54 0.00 0.00 174.62 175.05 2kb5 h ARG 7 N -0.12 0.00 0.00 3.99 3.08 -1.90 0.54 114.38 119.97 2kb5 h ARG 7 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2kb5 h ARG 7 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2kb5 h ARG 7 CO 0.62 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.52 2kb5 n ALA 8 N -2.49 0.00 0.05 0.04 0.00 -1.26 -3.01 120.51 113.84 2kb5 n ALA 8 Ca 0.10 -0.03 0.21 0.00 0.00 0.00 0.00 53.44 53.72 2kb5 n ALA 8 Cb 0.66 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.83 2kb5 n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kb5 h GLN 9 N 0.00 0.00 0.00 0.00 -0.00 -1.85 0.64 115.11 113.89 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 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 2kb5 h GLN 9 CO 0.00 0.00 -0.67 2.35 -0.00 0.00 0.00 178.83 180.51 2kb5 h TRP 10 N 0.00 0.00 0.14 0.06 -0.00 -0.07 -3.20 115.95 112.88 2kb5 h TRP 10 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.11 2kb5 h TRP 10 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.43 2kb5 h TRP 10 CO 0.00 0.67 -0.07 0.35 -0.00 0.00 0.00 178.44 179.40 2kb5 h PHE 11 N 0.00 -0.18 -0.05 2.65 3.04 0.39 -2.79 116.94 119.99 2kb5 h PHE 11 Ca -0.01 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.95 2kb5 h PHE 11 Cb 1.34 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.90 2kb5 h PHE 11 CO 0.00 0.12 0.07 0.00 -2.02 0.00 0.00 178.31 176.48 2kb5 h ALA 12 N 0.32 1.55 -0.69 2.41 0.00 -1.61 0.42 119.26 121.67 2kb5 h ALA 12 Ca -0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kb5 h ALA 12 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kb5 h ALA 12 CO 0.03 -0.09 0.29 0.82 0.00 0.00 0.00 179.25 180.30 2kb5 h ILE 13 N 0.00 1.24 -0.02 0.00 1.08 -1.48 3.31 117.51 121.64 2kb5 h ILE 13 Ca 0.02 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2kb5 h ILE 13 Cb 0.16 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2kb5 h ILE 13 CO -0.00 0.30 -0.21 0.00 -0.69 0.00 0.00 178.15 177.54 2kb5 n GLN 14 N -4.40 1.58 0.00 2.37 6.02 -0.64 -4.33 117.38 117.98 2kb5 n GLN 14 Ca 0.05 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 2kb5 n GLN 14 Cb 0.16 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 0.39 0.00 -3.77 1.08 8.25 0.14 -4.32 115.22 116.99 2kb5 n HIS 15 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 2kb5 n HIS 15 Cb 0.41 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.69 -0.05 -0.30 1.59 1.09 1.10 0.02 121.20 123.95 2kb5 s ILE 16 Ca 0.00 0.19 -0.05 0.00 -1.10 0.00 0.00 60.65 59.69 2kb5 s ILE 16 Cb 0.00 -0.13 0.18 0.00 -1.06 0.00 0.00 42.46 41.45 2kb5 s ILE 16 CO 0.00 0.08 0.71 -0.44 -0.10 0.00 0.00 174.94 175.19 2kb5 s SER 17 N 1.00 -1.14 0.01 3.58 0.01 -0.40 -4.19 113.70 112.57 2kb5 s SER 17 Ca -0.08 0.80 -0.25 0.00 1.31 0.00 0.00 55.95 57.73 2kb5 s SER 17 Cb -0.11 1.99 -0.17 0.00 0.21 0.00 0.00 66.02 67.94 2kb5 s SER 17 CO -0.04 -0.21 1.26 -0.07 0.41 0.00 0.00 173.24 174.59 2kb5 h LEU 18 N 7.98 -0.27 -5.65 2.44 3.38 -1.84 -3.29 115.31 118.06 2kb5 h LEU 18 Ca -0.20 -0.22 -0.57 0.00 0.09 0.00 0.00 57.88 56.98 2kb5 h LEU 18 Cb 1.16 0.07 -0.41 0.00 0.09 0.00 0.00 40.66 41.56 2kb5 h LEU 18 CO 0.17 0.10 -0.79 -0.46 0.09 0.00 0.00 178.44 177.54 2kb5 n ASN 19 N -5.08 3.25 -4.73 -0.43 0.23 -1.26 -4.85 115.26 102.39 2kb5 n ASN 19 Ca -0.09 -3.43 -0.41 0.00 -0.53 0.00 0.00 54.58 50.12 2kb5 n ASN 19 Cb 0.25 -0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 37.32 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 -2.91 4.38 0.00 -0.53 0.04 -1.26 -5.04 135.00 129.68 2kb5 s PRO 20 Ca 0.44 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2kb5 s PRO 20 Cb 0.27 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2kb5 s PRO 20 CO -0.10 -0.28 0.00 -0.35 0.04 0.00 0.00 177.00 176.31 2kb5 n PRO 21 N 2.88 0.63 -1.83 0.56 -0.04 -1.26 -4.89 135.00 131.06 2kb5 n PRO 21 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 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 -0.54 4.05 0.54 0.54 1.81 -1.26 -4.65 118.95 119.44 2kb5 s ARG 22 Ca 0.00 2.33 0.31 0.00 -1.72 0.00 0.00 55.73 56.65 2kb5 s ARG 22 Cb 0.00 -4.10 1.07 0.00 -0.45 0.00 0.00 34.95 31.47 2kb5 s ARG 22 CO 0.00 -1.03 1.26 0.00 -0.68 0.00 0.00 175.30 174.85 2kb5 h THR 24 N 0.00 0.88 0.09 0.00 2.02 -1.87 -2.89 112.91 111.14 2kb5 h THR 24 Ca 0.58 -0.14 -0.36 0.00 0.77 0.00 0.00 66.41 67.26 2kb5 h THR 24 Cb 2.93 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 70.28 2kb5 h THR 24 CO -0.01 0.03 -2.01 -0.38 0.37 0.00 0.00 175.52 173.52 2kb5 n ILE 25 N -5.15 1.72 0.17 3.11 5.41 0.26 -4.00 119.36 120.87 2kb5 n ILE 25 Ca -0.09 -0.68 0.08 0.00 1.00 0.00 0.00 62.75 63.06 2kb5 n ILE 25 Cb 0.13 -1.56 0.41 0.00 -0.71 0.00 0.00 39.64 37.91 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 0.24 1.17 -0.53 -1.39 0.00 -0.58 0.72 119.26 118.88 2kb5 h ALA 26 Ca -0.42 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2kb5 h ALA 26 Cb 2.02 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2kb5 h ALA 26 CO 0.07 -0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.24 2kb5 n MET 27 N -2.11 3.69 0.00 0.00 0.00 -1.09 -4.41 117.12 113.19 2kb5 n MET 27 Ca -0.01 -3.06 0.00 0.00 0.00 0.00 0.00 57.70 54.63 2kb5 n MET 27 Cb 0.28 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.40 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 -0.12 0.00 0.23 3.17 1.74 0.25 -3.31 116.66 118.62 2kb5 n ARG 28 Ca 0.31 0.17 0.06 0.00 -0.77 0.00 0.00 57.85 57.63 2kb5 n ARG 28 Cb 1.18 -0.63 0.54 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 1.73 -0.55 7.54 0.00 -1.83 -2.77 119.26 121.38 2kb5 h ALA 29 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kb5 h ALA 29 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kb5 h ALA 29 CO 0.00 0.19 0.00 -0.89 0.00 0.00 0.00 179.25 178.55 2kb5 n ILE 30 N -4.33 0.00 0.12 0.00 -0.00 -1.26 -2.71 119.36 111.19 2kb5 n ILE 30 Ca -0.03 1.20 0.05 0.00 -0.00 0.00 0.00 62.75 63.97 2kb5 n ILE 30 Cb 0.22 -2.16 0.24 0.00 -0.00 0.00 0.00 39.64 37.94 2kb5 n ILE 30 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2kb5 n ASN 31 N -1.73 0.23 -0.00 4.38 3.02 -1.21 -1.38 115.26 118.57 2kb5 n ASN 31 Ca 0.00 0.46 0.23 0.00 -0.03 0.00 0.00 54.58 55.24 2kb5 n ASN 31 Cb 0.00 -0.40 0.71 0.00 -0.61 0.00 0.00 39.78 39.48 2kb5 n ASN 31 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 2kb5 h ASN 32 N 0.00 0.00 0.15 6.41 -0.73 -1.28 0.46 115.58 120.60 2kb5 h ASN 32 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 2kb5 h ASN 32 Cb 0.65 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.23 2kb5 h ASN 32 CO 0.00 0.00 -0.12 0.10 -0.37 0.00 0.00 177.43 177.04 2kb5 h TYR 33 N 0.00 0.00 -5.54 0.67 -0.00 -1.41 -3.44 116.97 107.26 2kb5 h TYR 33 Ca 0.28 0.00 -0.51 0.00 0.00 0.00 0.00 58.73 58.50 2kb5 h TYR 33 Cb 1.45 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 38.13 2kb5 h TYR 33 CO 0.00 0.12 -0.26 0.54 -0.00 0.00 0.00 178.16 178.56 2kb5 n ARG 34 N -4.21 0.80 -0.20 0.10 5.12 0.16 -4.70 116.66 113.73 2kb5 n ARG 34 Ca -0.03 -3.03 0.09 0.00 -1.93 0.00 0.00 57.85 52.95 2kb5 n ARG 34 Cb 0.20 0.39 0.19 0.00 -1.16 0.00 0.00 32.46 32.07 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 -1.56 0.52 -4.03 -1.55 8.01 -1.26 -4.99 117.44 112.57 2kb5 n TRP 35 Ca -0.04 -0.37 -0.14 0.00 -1.31 0.00 0.00 57.50 55.65 2kb5 n TRP 35 Cb 0.55 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.81 2kb5 n TRP 35 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2kb5 s ARG 36 N -1.11 2.00 -0.07 -0.99 0.52 -1.26 -4.83 118.95 113.20 2kb5 s ARG 36 Ca 0.31 -1.71 -0.18 0.00 -0.52 0.00 0.00 55.73 53.63 2kb5 s ARG 36 Cb 0.17 0.48 -0.05 0.00 0.52 0.00 0.00 34.95 36.08 2kb5 s ARG 36 CO 0.23 -0.85 0.49 0.00 0.02 0.00 0.00 175.30 175.19 2kb5 s LYS 38 N 0.16 2.72 0.00 0.00 -0.14 -1.26 -4.93 119.74 116.30 2kb5 s LYS 38 Ca 0.27 1.70 0.27 0.00 -1.36 0.00 0.00 55.97 56.85 2kb5 s LYS 38 Cb -0.16 -1.91 0.93 0.00 -1.68 0.00 0.00 37.83 35.01 2kb5 s LYS 38 CO 0.12 -1.37 1.69 -1.71 -0.76 0.00 0.00 175.35 173.32 2kb5 n ASN 39 N -2.06 0.47 -3.65 2.83 5.15 -1.26 -4.46 115.26 112.28 2kb5 n ASN 39 Ca 0.13 -0.31 -0.01 0.00 -0.60 0.00 0.00 54.58 53.79 2kb5 n ASN 39 Cb 0.50 -0.03 -0.06 0.00 -0.53 0.00 0.00 39.78 39.66 2kb5 n ASN 39 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kb5 s GLN 40 N -2.75 0.18 -0.30 1.20 0.74 -1.26 -2.70 119.66 114.77 2kb5 s GLN 40 Ca 0.20 0.27 0.02 0.00 0.05 0.00 0.00 55.36 55.90 2kb5 s GLN 40 Cb 0.19 0.05 0.19 0.00 1.10 0.00 0.00 33.01 34.54 2kb5 s GLN 40 CO 0.56 -0.03 0.61 1.21 -0.55 0.00 0.00 175.29 177.09 2kb5 s ASN 41 N 0.87 -1.49 -0.06 6.67 3.04 -1.21 -5.02 114.94 117.73 2kb5 s ASN 41 Ca -0.05 0.53 -0.13 0.00 0.04 0.00 0.00 52.86 53.26 2kb5 s ASN 41 Cb -0.03 2.09 -0.05 0.00 -1.54 0.00 0.00 41.25 41.71 2kb5 s ASN 41 CO -0.12 -0.27 0.32 -0.89 -3.04 0.00 0.00 177.10 173.10 2kb5 s THR 42 N 2.85 5.21 -0.30 -5.21 2.01 -1.26 -3.18 115.64 115.76 2kb5 s THR 42 Ca 0.16 0.63 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 2kb5 s THR 42 Cb -0.12 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.82 2kb5 s THR 42 CO -0.23 0.55 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.87 2kb5 s PHE 43 N -0.73 3.28 0.00 4.92 0.08 0.16 -4.06 117.98 121.63 2kb5 s PHE 43 Ca 0.20 -2.00 -0.30 0.00 0.12 0.00 0.00 56.93 54.95 2kb5 s PHE 43 Cb -0.15 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 2kb5 s PHE 43 CO 0.09 -0.83 1.24 -0.51 -0.10 0.00 0.00 175.22 175.11 2kb5 s LEU 44 N 1.21 4.32 -1.19 -0.37 1.43 0.10 -0.83 118.68 123.35 2kb5 s LEU 44 Ca -0.05 1.95 -0.21 0.00 -1.03 0.00 0.00 54.13 54.79 2kb5 s LEU 44 Cb -0.20 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2kb5 s LEU 44 CO -0.02 -0.56 1.89 0.54 0.23 0.00 0.00 176.35 178.43 2kb5 n ARG 45 N 4.70 2.10 -3.49 1.70 1.74 0.12 -1.27 116.66 122.27 2kb5 n ARG 45 Ca 0.11 -2.64 -0.10 0.00 -0.77 0.00 0.00 57.85 54.44 2kb5 n ARG 45 Cb 0.46 -3.56 -0.02 0.00 -1.02 0.00 0.00 32.46 28.32 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 8.11 0.00 0.59 0.55 -1.32 -1.26 -4.59 115.64 117.73 2kb5 s THR 46 Ca 0.62 -0.09 -0.13 0.00 -1.21 0.00 0.00 61.69 60.89 2kb5 s THR 46 Cb 0.03 -1.10 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 2kb5 s THR 46 CO 0.11 0.00 1.02 -0.89 -2.21 0.00 0.00 174.62 172.65 2kb5 s THR 47 N -3.54 4.63 0.40 5.08 2.01 -1.26 -4.53 115.64 118.43 2kb5 s THR 47 Ca 0.03 0.97 0.09 0.00 0.31 0.00 0.00 61.69 63.09 2kb5 s THR 47 Cb -0.01 -3.81 0.29 0.00 0.01 0.00 0.00 72.50 68.98 2kb5 s THR 47 CO -0.10 -1.00 2.01 0.15 -0.69 0.00 0.00 174.62 174.99 2kb5 h PHE 48 N 0.04 0.56 -0.03 4.92 3.57 -1.98 -2.37 116.94 121.66 2kb5 h PHE 48 Ca -0.45 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 2kb5 h PHE 48 Cb 1.19 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 2kb5 h PHE 48 CO 0.65 0.32 0.01 0.00 -2.23 0.00 0.00 178.31 177.06 2kb5 h ALA 49 N 1.69 0.04 -0.01 2.41 0.00 -1.99 0.33 119.26 121.73 2kb5 h ALA 49 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kb5 h ALA 49 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kb5 h ALA 49 CO -0.06 -0.40 0.02 -0.91 0.00 0.00 0.00 179.25 177.89 2kb5 h ASN 50 N -0.08 0.00 0.00 0.00 2.35 -1.82 -1.48 115.58 114.55 2kb5 h ASN 50 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2kb5 h ASN 50 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 2kb5 h ASN 50 CO -0.00 0.00 -0.37 0.58 -1.65 0.00 0.00 177.43 175.99 2kb5 h VAL 51 N 0.00 0.28 -0.84 2.81 2.07 -1.11 -3.34 116.25 116.12 2kb5 h VAL 51 Ca 0.00 -1.27 0.21 0.00 0.82 0.00 0.00 66.70 66.46 2kb5 h VAL 51 Cb 0.04 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2kb5 h VAL 51 CO -0.00 0.10 0.57 0.58 0.02 0.00 0.00 177.57 178.84 2kb5 h VAL 52 N -1.00 0.66 0.00 2.57 2.07 -0.77 0.37 116.25 120.14 2kb5 h VAL 52 Ca -0.04 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2kb5 h VAL 52 Cb 0.47 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2kb5 h VAL 52 CO -0.03 0.04 -0.12 -1.13 0.02 0.00 0.00 177.57 176.35 2kb5 h ASN 53 N 0.23 0.00 0.34 0.57 -1.24 -1.42 -1.93 115.58 112.12 2kb5 h ASN 53 Ca 0.42 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.31 2kb5 h ASN 53 Cb 1.29 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2kb5 h ASN 53 CO -0.10 0.12 -0.51 0.58 -1.29 0.00 0.00 177.43 176.24 2kb5 h VAL 54 N 0.00 1.35 0.00 2.57 2.07 -0.38 -2.57 116.25 119.29 2kb5 h VAL 54 Ca -0.00 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2kb5 h VAL 54 Cb 0.25 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2kb5 h VAL 54 CO 0.02 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.12 2kb5 h GLY 56 N 1.83 0.00 -1.05 0.00 0.00 -1.53 -3.46 103.07 98.86 2kb5 h GLY 56 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2kb5 h GLY 56 CO 0.00 0.00 0.39 0.54 0.00 0.00 0.00 176.54 177.47 2kb5 s ASN 57 N -4.96 5.36 -0.50 0.19 2.20 -0.74 -4.89 114.94 111.60 2kb5 s ASN 57 Ca 0.04 1.04 -0.37 0.00 -0.94 0.00 0.00 52.86 52.64 2kb5 s ASN 57 Cb 0.11 -1.83 -0.15 0.00 -2.00 0.00 0.00 41.25 37.38 2kb5 s ASN 57 CO 0.72 -1.37 2.26 1.67 -2.94 0.00 0.00 177.10 177.44 2kb5 n GLN 58 N -2.99 0.57 -1.51 3.55 -0.06 -1.26 -4.88 117.38 110.80 2kb5 n GLN 58 Ca 0.07 0.14 -0.33 0.00 -2.00 0.00 0.00 57.00 54.87 2kb5 n GLN 58 Cb 0.58 -2.08 0.08 0.00 -4.06 0.00 0.00 30.24 24.75 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 7.45 4.60 0.33 1.69 1.04 -1.26 -4.73 113.70 122.82 2kb5 s SER 59 Ca 1.16 2.07 0.05 0.00 0.48 0.00 0.00 55.95 59.71 2kb5 s SER 59 Cb -1.08 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 62.47 2kb5 s SER 59 CO 0.53 -1.98 0.17 2.30 0.98 0.00 0.00 173.24 175.24 2kb5 n ILE 60 N -2.82 0.00 -3.29 -1.02 -5.35 -0.52 -4.99 119.36 101.37 2kb5 n ILE 60 Ca 0.11 -2.06 -0.39 0.00 -0.27 0.00 0.00 62.75 60.14 2kb5 n ILE 60 Cb 0.52 0.84 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 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 -3.27 4.09 0.45 6.28 3.03 -1.26 -3.89 118.95 124.37 2kb5 s ARG 61 Ca 0.24 0.26 -0.25 0.00 2.03 0.00 0.00 55.73 58.01 2kb5 s ARG 61 Cb 0.01 -3.62 -0.08 0.00 -1.03 0.00 0.00 34.95 30.23 2kb5 s ARG 61 CO 0.17 -0.26 1.33 0.00 -1.13 0.00 0.00 175.30 175.41 2kb5 h PRO 63 N 2.28 0.00 0.00 0.00 0.13 -1.96 -2.81 132.00 129.64 2kb5 h PRO 63 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2kb5 h PRO 63 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kb5 h PRO 63 CO 0.61 0.42 -0.18 1.25 -0.23 0.00 0.00 178.00 179.86 2kb5 h HIS 64 N 0.00 0.00 -2.96 1.56 2.76 -1.95 -3.39 115.15 111.17 2kb5 h HIS 64 Ca -0.00 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.55 2kb5 h HIS 64 Cb 0.81 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 29.37 2kb5 h HIS 64 CO 0.00 0.18 -0.74 -0.80 -1.30 0.00 0.00 177.93 175.28 2kb5 s ASN 65 N -6.30 3.60 0.00 3.26 0.01 -1.06 -4.93 114.94 109.52 2kb5 s ASN 65 Ca 0.06 -2.83 0.17 0.00 -0.71 0.00 0.00 52.86 49.55 2kb5 s ASN 65 Cb 0.06 -1.07 1.04 0.00 0.41 0.00 0.00 41.25 41.69 2kb5 s ASN 65 CO 0.70 -0.23 1.44 -2.11 -1.51 0.00 0.00 177.10 175.39 2kb5 n ARG 66 N 3.27 0.55 -0.03 -0.60 1.85 -1.24 -1.87 116.66 118.59 2kb5 n ARG 66 Ca 0.12 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 57.00 2kb5 n ARG 66 Cb 0.36 -1.49 0.04 0.00 -1.05 0.00 0.00 32.46 30.32 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 -0.99 1.22 -3.80 8.89 5.66 -1.26 -4.99 114.28 119.00 2kb5 n THR 67 Ca 0.13 -1.33 -0.17 0.00 -3.05 0.00 0.00 64.05 59.63 2kb5 n THR 67 Cb 0.06 0.30 -0.17 0.00 -1.55 0.00 0.00 70.33 68.97 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 -1.51 0.88 -0.53 1.09 2.96 -0.78 -5.07 118.68 115.70 2kb5 s LEU 68 Ca 0.10 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 2kb5 s LEU 68 Cb 0.08 -0.15 0.26 0.00 0.50 0.00 0.00 46.19 46.88 2kb5 s LEU 68 CO 0.01 -0.15 0.69 0.59 -1.32 0.00 0.00 176.35 176.17 2kb5 n ASN 69 N 4.46 2.41 -0.35 3.68 4.13 -1.26 -3.36 115.26 124.97 2kb5 n ASN 69 Ca -0.21 -3.18 0.06 0.00 1.68 0.00 0.00 54.58 52.93 2kb5 n ASN 69 Cb 0.50 -0.65 0.09 0.00 -1.54 0.00 0.00 39.78 38.19 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2kb5 n ASN 70 N 0.91 1.42 -4.66 6.41 4.13 -1.26 -4.84 115.26 117.37 2kb5 n ASN 70 Ca 0.27 -2.73 -0.29 0.00 1.68 0.00 0.00 54.58 53.50 2kb5 n ASN 70 Cb 0.47 -0.35 -0.10 0.00 -1.54 0.00 0.00 39.78 38.25 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb5 s HIS 72 N -2.76 -0.08 -0.15 0.00 0.09 -1.21 -1.43 115.29 109.74 2kb5 s HIS 72 Ca 0.27 0.17 -0.09 0.00 -0.00 0.00 0.00 55.06 55.40 2kb5 s HIS 72 Cb 0.08 0.01 -0.05 0.00 -0.00 0.00 0.00 32.58 32.62 2kb5 s HIS 72 CO 0.14 -0.19 0.17 0.50 -0.00 0.00 0.00 174.74 175.36 2kb5 s ARG 73 N -0.63 3.87 0.10 1.40 3.52 -1.26 -3.24 118.95 122.71 2kb5 s ARG 73 Ca -0.07 -0.11 -0.31 0.00 -0.13 0.00 0.00 55.73 55.11 2kb5 s ARG 73 Cb -0.04 -3.31 -0.09 0.00 -1.56 0.00 0.00 34.95 29.95 2kb5 s ARG 73 CO 0.01 0.52 1.59 0.45 -0.81 0.00 0.00 175.30 177.06 2kb5 s SER 74 N -0.30 6.63 0.20 -2.12 0.15 -1.14 -4.90 113.70 112.22 2kb5 s SER 74 Ca 0.13 2.50 0.03 0.00 0.70 0.00 0.00 55.95 59.31 2kb5 s SER 74 Cb -0.12 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 2kb5 s SER 74 CO 0.02 -0.84 1.47 0.08 1.20 0.00 0.00 173.24 175.17 2kb5 h ARG 75 N 7.68 0.23 -6.31 5.44 0.11 -1.95 -3.42 114.38 116.16 2kb5 h ARG 75 Ca -0.42 -0.19 -0.49 0.00 0.10 0.00 0.00 59.98 58.97 2kb5 h ARG 75 Cb 1.20 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2kb5 h ARG 75 CO 0.92 0.86 -0.32 -0.06 0.10 0.00 0.00 179.97 181.47 2kb5 s PHE 76 N -3.51 3.48 -0.23 4.08 0.08 -1.26 -5.02 117.98 115.59 2kb5 s PHE 76 Ca -0.04 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 57.12 2kb5 s PHE 76 Cb 0.11 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2kb5 s PHE 76 CO 0.81 0.32 0.24 1.03 -0.10 0.00 0.00 175.22 177.52 2kb5 s ARG 77 N -3.85 4.09 0.14 0.44 0.52 -1.26 -4.28 118.95 114.75 2kb5 s ARG 77 Ca 0.37 -0.12 0.09 0.00 -0.52 0.00 0.00 55.73 55.55 2kb5 s ARG 77 Cb -0.10 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 2kb5 s ARG 77 CO 0.31 0.00 -0.20 0.14 0.02 0.00 0.00 175.30 175.57 2kb5 s VAL 78 N 1.22 1.87 -0.08 3.52 -7.23 -1.15 -4.79 120.40 113.75 2kb5 s VAL 78 Ca 0.11 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 2kb5 s VAL 78 Cb -0.14 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2kb5 s VAL 78 CO 0.06 -0.17 1.51 -2.16 -0.31 0.00 0.00 175.10 174.03 2kb5 s PRO 79 N -2.40 4.21 0.45 4.82 0.04 -1.26 -1.16 135.00 139.69 2kb5 s PRO 79 Ca 0.13 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2kb5 s PRO 79 Cb -0.08 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 2kb5 s PRO 79 CO 0.06 -0.78 0.02 -0.48 0.04 0.00 0.00 177.00 175.86 2kb5 s LEU 80 N 3.70 2.51 -0.04 -3.56 0.05 0.15 0.16 118.68 121.66 2kb5 s LEU 80 Ca 0.67 -1.51 0.01 0.00 0.05 0.00 0.00 54.13 53.35 2kb5 s LEU 80 Cb -0.30 -0.74 0.02 0.00 -2.05 0.00 0.00 46.19 43.12 2kb5 s LEU 80 CO 0.25 -0.67 -0.04 -0.22 -0.55 0.00 0.00 176.35 175.11 2kb5 s LEU 81 N -3.76 1.44 -0.15 1.48 1.98 -0.01 -2.17 118.68 117.48 2kb5 s LEU 81 Ca 0.22 -0.12 -0.04 0.00 -2.89 0.00 0.00 54.13 51.30 2kb5 s LEU 81 Cb 0.06 -0.41 -0.03 0.00 0.66 0.00 0.00 46.19 46.47 2kb5 s LEU 81 CO 0.11 -0.03 -0.02 -2.28 -1.89 0.00 0.00 176.35 172.24 2kb5 s HIS 82 N 0.73 3.07 -0.54 5.38 5.65 -0.50 0.36 115.29 129.44 2kb5 s HIS 82 Ca -0.10 -0.19 0.05 0.00 0.25 0.00 0.00 55.06 55.07 2kb5 s HIS 82 Cb -0.13 -1.96 0.18 0.00 -1.18 0.00 0.00 32.58 29.49 2kb5 s HIS 82 CO 0.00 0.04 0.43 0.00 -0.65 0.00 0.00 174.74 174.56 2kb5 s ASP 84 N -0.73 7.06 -0.41 0.00 2.15 -1.20 -3.34 116.67 120.20 2kb5 s ASP 84 Ca 0.30 1.70 -0.28 0.00 0.43 0.00 0.00 52.55 54.71 2kb5 s ASP 84 Cb 0.02 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2kb5 s ASP 84 CO -0.18 -0.25 1.95 -0.22 -0.17 0.00 0.00 175.17 176.30 2kb5 s LEU 85 N -2.78 3.43 0.00 -1.34 2.96 -1.10 -0.78 118.68 119.07 2kb5 s LEU 85 Ca 0.57 1.11 0.09 0.00 -0.22 0.00 0.00 54.13 55.69 2kb5 s LEU 85 Cb -0.12 -3.14 0.56 0.00 0.50 0.00 0.00 46.19 43.99 2kb5 s LEU 85 CO 0.17 -2.06 1.29 -0.38 -1.32 0.00 0.00 176.35 174.05 2kb5 n ILE 86 N 7.48 0.00 -3.67 6.68 5.41 -0.16 -4.25 119.36 130.86 2kb5 n ILE 86 Ca 0.25 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.72 2kb5 n ILE 86 Cb 0.49 -0.21 -0.12 0.00 -0.71 0.00 0.00 39.64 39.09 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 -1.39 3.31 -0.12 4.38 4.22 -1.25 -4.96 114.94 119.13 2kb5 s ASN 87 Ca 0.14 -3.15 -0.29 0.00 -2.14 0.00 0.00 52.86 47.41 2kb5 s ASN 87 Cb 0.07 -1.03 -0.04 0.00 1.28 0.00 0.00 41.25 41.53 2kb5 s ASN 87 CO 0.11 -0.18 1.54 -2.16 -2.04 0.00 0.00 177.10 174.37 2kb5 s PRO 88 N -0.31 4.12 0.00 3.55 0.04 -1.26 -2.53 135.00 138.61 2kb5 s PRO 88 Ca 0.25 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2kb5 s PRO 88 Cb -0.09 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2kb5 s PRO 88 CO -0.11 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2kb5 n GLY 89 N 4.09 0.55 3.78 0.56 0.00 -1.26 -5.08 105.19 107.83 2kb5 n GLY 89 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 3.47 -0.52 4.61 0.00 -1.05 -5.01 121.76 121.26 2kb5 s ALA 90 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.34 2kb5 s ALA 90 Cb 0.00 -2.90 0.32 0.00 0.00 0.00 0.00 23.12 20.54 2kb5 s ALA 90 CO 0.00 0.31 0.81 0.94 0.00 0.00 0.00 175.76 177.82 2kb5 n GLN 91 N 1.56 2.25 -3.53 0.00 7.27 -1.26 -4.79 117.38 118.87 2kb5 n GLN 91 Ca -0.06 -4.27 -0.01 0.00 0.07 0.00 0.00 57.00 52.73 2kb5 n GLN 91 Cb 0.49 -1.99 -0.04 0.00 2.41 0.00 0.00 30.24 31.10 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 -2.78 -1.01 0.03 1.69 -0.87 -1.26 -4.88 114.94 105.87 2kb5 s ASN 92 Ca 0.44 1.28 0.18 0.00 -1.57 0.00 0.00 52.86 53.18 2kb5 s ASN 92 Cb 0.26 2.08 0.75 0.00 -0.02 0.00 0.00 41.25 44.33 2kb5 s ASN 92 CO -0.10 -0.23 1.56 2.30 -2.57 0.00 0.00 177.10 178.06 2kb5 n ILE 93 N 5.43 0.84 0.00 0.60 -5.35 -1.26 -1.78 119.36 117.84 2kb5 n ILE 93 Ca -0.09 0.20 -0.19 0.00 -0.27 0.00 0.00 62.75 62.41 2kb5 n ILE 93 Cb 0.50 -0.94 -0.14 0.00 -1.74 0.00 0.00 39.64 37.31 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 0.30 -0.67 7.28 0.02 -1.94 -3.35 113.55 115.19 2kb5 h SER 94 Ca 0.00 -0.92 -0.39 0.00 -0.84 0.00 0.00 61.79 59.64 2kb5 h SER 94 Cb 0.31 -0.10 -0.23 0.00 0.14 0.00 0.00 62.40 62.52 2kb5 h SER 94 CO 0.00 1.35 0.18 -3.20 -1.14 0.00 0.00 176.83 174.01 2kb5 n ASN 95 N -4.23 3.91 -4.48 3.07 5.15 -1.16 -4.95 115.26 112.58 2kb5 n ASN 95 Ca -0.16 -3.75 -0.43 0.00 -0.60 0.00 0.00 54.58 49.64 2kb5 n ASN 95 Cb 0.74 -0.71 -0.05 0.00 -0.53 0.00 0.00 39.78 39.23 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 3.45 4.77 0.20 0.00 1.81 -1.26 -4.70 118.95 123.22 2kb5 s ARG 97 Ca 0.23 1.53 0.10 0.00 -1.72 0.00 0.00 55.73 55.87 2kb5 s ARG 97 Cb -0.16 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 2kb5 s ARG 97 CO 0.15 0.37 -0.20 0.71 -0.68 0.00 0.00 175.30 175.64 2kb5 s TYR 98 N -0.76 2.04 -0.41 -0.53 2.02 -1.26 -0.98 117.35 117.47 2kb5 s TYR 98 Ca 0.44 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.64 2kb5 s TYR 98 Cb -0.26 -0.99 0.08 0.00 -0.40 0.00 0.00 41.96 40.39 2kb5 s TYR 98 CO 0.32 0.45 0.24 0.00 -1.57 0.00 0.00 175.55 175.00 2kb5 s ALA 99 N -2.08 3.25 -0.45 3.71 0.00 0.04 -4.79 121.76 121.44 2kb5 s ALA 99 Ca 0.20 -2.14 -0.28 0.00 0.00 0.00 0.00 51.96 49.74 2kb5 s ALA 99 Cb -0.06 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2kb5 s ALA 99 CO 0.09 -1.63 1.45 0.16 0.00 0.00 0.00 175.76 175.83 2kb5 s ASP 100 N 2.03 6.23 -0.31 0.00 -4.77 -1.24 -3.27 116.67 115.34 2kb5 s ASP 100 Ca 0.03 0.71 0.03 0.00 -3.30 0.00 0.00 52.55 50.03 2kb5 s ASP 100 Cb -0.23 -2.54 0.09 0.00 -1.09 0.00 0.00 42.92 39.15 2kb5 s ASP 100 CO 0.02 -1.54 -0.00 -0.60 0.70 0.00 0.00 175.17 173.74 2kb5 s ARG 101 N 5.17 1.78 0.51 2.11 6.06 0.12 -4.94 118.95 129.76 2kb5 s ARG 101 Ca 0.60 -1.68 -0.21 0.00 -2.50 0.00 0.00 55.73 51.95 2kb5 s ARG 101 Cb -0.13 -3.11 -0.06 0.00 0.06 0.00 0.00 34.95 31.71 2kb5 s ARG 101 CO 0.31 -0.81 1.14 -1.25 -2.50 0.00 0.00 175.30 172.19 2kb5 s PRO 102 N 0.98 3.50 0.05 5.12 0.04 -1.26 -1.42 135.00 142.02 2kb5 s PRO 102 Ca 0.04 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.47 2kb5 s PRO 102 Cb -0.19 -2.14 0.09 0.00 0.04 0.00 0.00 34.50 32.30 2kb5 s PRO 102 CO -0.07 -0.74 1.20 0.20 0.04 0.00 0.00 177.00 177.63 2kb5 s GLY 103 N -1.64 -0.09 -0.25 0.56 0.00 -0.92 -4.95 107.32 100.03 2kb5 s GLY 103 Ca 0.70 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 2kb5 s GLY 103 CO 0.29 3.65 0.36 -1.60 0.00 0.00 0.00 173.10 175.80 2kb5 s ARG 104 N -2.17 0.33 0.26 2.90 3.52 -1.26 0.31 118.95 122.84 2kb5 s ARG 104 Ca 0.24 0.41 -0.12 0.00 -0.13 0.00 0.00 55.73 56.13 2kb5 s ARG 104 Cb -0.00 -0.57 0.05 0.00 -1.56 0.00 0.00 34.95 32.87 2kb5 s ARG 104 CO 0.01 -0.71 0.64 0.54 -0.81 0.00 0.00 175.30 174.98 2kb5 n ARG 105 N 5.35 0.76 -0.48 5.12 5.12 -0.30 -4.70 116.66 127.54 2kb5 n ARG 105 Ca -0.03 -1.54 -0.16 0.00 -1.93 0.00 0.00 57.85 54.19 2kb5 n ARG 105 Cb 0.50 1.95 0.14 0.00 -1.16 0.00 0.00 32.46 33.89 2kb5 n ARG 105 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kb5 n PHE 106 N -0.44 -3.38 -3.64 -1.55 3.72 -1.22 -2.95 117.46 108.00 2kb5 n PHE 106 Ca -0.05 -0.52 -0.10 0.00 -0.05 0.00 0.00 57.45 56.73 2kb5 n PHE 106 Cb 0.45 -0.62 -0.07 0.00 -0.94 0.00 0.00 39.48 38.29 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 -1.98 -0.95 -0.49 1.38 -0.85 -1.26 -1.97 117.35 111.24 2kb5 s TYR 107 Ca 0.38 2.03 -0.16 0.00 -0.52 0.00 0.00 57.07 58.79 2kb5 s TYR 107 Cb -0.04 0.49 0.08 0.00 0.38 0.00 0.00 41.96 42.86 2kb5 s TYR 107 CO 0.29 -0.46 0.46 0.08 -1.52 0.00 0.00 175.55 174.40 2kb5 s VAL 108 N 1.13 5.15 -0.17 -3.49 1.01 0.16 -2.88 120.40 121.30 2kb5 s VAL 108 Ca -0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 2kb5 s VAL 108 Cb -0.05 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2kb5 s VAL 108 CO -0.12 -0.67 -0.07 0.68 0.00 0.00 0.00 175.10 174.93 2kb5 s VAL 109 N 1.86 3.45 -0.49 2.92 -7.23 -1.20 -0.41 120.40 119.30 2kb5 s VAL 109 Ca 0.06 -0.50 -0.26 0.00 -1.81 0.00 0.00 61.98 59.47 2kb5 s VAL 109 Cb -0.24 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.22 2kb5 s VAL 109 CO 0.07 0.47 1.00 0.00 -0.31 0.00 0.00 175.10 176.34 2kb5 s ALA 110 N 0.78 3.18 -0.13 1.32 0.00 0.90 -3.36 121.76 124.45 2kb5 s ALA 110 Ca -0.03 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.93 2kb5 s ALA 110 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2kb5 s ALA 110 CO 0.02 -2.22 0.57 0.00 0.00 0.00 0.00 175.76 174.13 2kb5 s ASP 112 N 0.86 1.88 -0.11 0.00 2.15 -0.76 -4.83 116.67 115.86 2kb5 s ASP 112 Ca 0.29 -1.07 -0.35 0.00 0.43 0.00 0.00 52.55 51.86 2kb5 s ASP 112 Cb -0.16 -0.02 -0.12 0.00 -0.30 0.00 0.00 42.92 42.32 2kb5 s ASP 112 CO 0.12 -0.36 1.87 0.59 -0.17 0.00 0.00 175.17 177.22 2kb5 n ASN 113 N -0.27 3.34 -4.83 -0.34 3.02 -1.26 -2.93 115.26 111.99 2kb5 n ASN 113 Ca -0.09 0.98 -0.27 0.00 -0.03 0.00 0.00 54.58 55.17 2kb5 n ASN 113 Cb 0.61 -1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 38.40 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s ARG 114 N 4.01 2.24 0.02 3.52 1.04 -1.24 -4.97 118.95 123.58 2kb5 s ARG 114 Ca 0.93 -2.05 -0.30 0.00 -1.04 0.00 0.00 55.73 53.27 2kb5 s ARG 114 Cb -0.73 -1.95 -0.06 0.00 -2.04 0.00 0.00 34.95 30.17 2kb5 s ARG 114 CO 0.53 -0.42 1.41 0.34 -0.04 0.00 0.00 175.30 177.12 2kb5 s ASP 115 N -4.09 6.84 0.00 -2.89 -1.08 -1.26 -4.88 116.67 109.31 2kb5 s ASP 115 Ca 0.30 2.17 0.10 0.00 -0.52 0.00 0.00 52.55 54.59 2kb5 s ASP 115 Cb 0.00 -2.57 0.57 0.00 -1.46 0.00 0.00 42.92 39.47 2kb5 s ASP 115 CO 0.18 -0.71 1.01 -0.81 0.52 0.00 0.00 175.17 175.36 2kb5 n PRO 116 N 5.11 0.49 -0.00 4.34 -0.04 -1.26 -2.16 135.00 141.48 2kb5 n PRO 116 Ca 0.13 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2kb5 n PRO 116 Cb 0.43 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.81 0.65 0.01 0.54 1.85 -1.26 -3.94 116.66 113.70 2kb5 n ARG 117 Ca 0.07 0.02 -0.21 0.00 -1.00 0.00 0.00 57.85 56.73 2kb5 n ARG 117 Cb 0.03 -1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 29.65 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2kb5 h ASP 118 N 0.00 0.41 -3.09 2.89 5.19 -1.84 -3.43 116.42 116.55 2kb5 h ASP 118 Ca -0.18 -0.89 -0.60 0.00 -0.62 0.00 0.00 57.03 54.74 2kb5 h ASP 118 Cb 1.47 -0.13 -0.40 0.00 0.18 0.00 0.00 39.33 40.45 2kb5 h ASP 118 CO 0.02 1.80 -0.79 -0.55 -3.12 0.00 0.00 179.24 176.60 2kb5 s SER 119 N -7.00 3.27 0.32 6.45 0.15 -1.19 -4.97 113.70 110.72 2kb5 s SER 119 Ca -0.21 -2.62 0.11 0.00 0.70 0.00 0.00 55.95 53.93 2kb5 s SER 119 Cb 0.07 -0.82 0.52 0.00 -1.71 0.00 0.00 66.02 64.08 2kb5 s SER 119 CO 0.78 -0.26 1.71 1.55 1.20 0.00 0.00 173.24 178.23 2kb5 h PRO 120 N 6.61 0.05 0.01 5.44 0.13 -1.85 -3.27 132.00 139.12 2kb5 h PRO 120 Ca 0.05 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2kb5 h PRO 120 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kb5 h PRO 120 CO 0.42 0.52 -0.07 0.07 -0.23 0.00 0.00 178.00 178.71 2kb5 h ARG 121 N 0.04 0.02 -5.28 0.86 -0.00 -1.93 -3.44 114.38 104.66 2kb5 h ARG 121 Ca -0.00 -0.04 -0.62 0.00 -0.00 0.00 0.00 59.98 59.32 2kb5 h ARG 121 Cb 0.87 0.02 -0.13 0.00 -0.00 0.00 0.00 29.97 30.72 2kb5 h ARG 121 CO 0.06 1.02 -0.16 0.71 -0.00 0.00 0.00 179.97 181.60 2kb5 s TYR 122 N -2.25 3.28 -0.02 4.08 1.51 -1.23 -4.98 117.35 117.74 2kb5 s TYR 122 Ca -0.19 0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 56.15 2kb5 s TYR 122 Cb -0.03 -2.60 -0.19 0.00 -0.11 0.00 0.00 41.96 39.03 2kb5 s TYR 122 CO 0.70 -0.19 1.22 -1.00 -1.11 0.00 0.00 175.55 175.18 2kb5 h PRO 123 N 7.93 -0.07 -6.19 -1.71 0.13 -1.86 -3.43 132.00 126.80 2kb5 h PRO 123 Ca -0.32 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.30 2kb5 h PRO 123 Cb 1.16 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2kb5 h PRO 123 CO 0.68 0.39 -0.53 0.54 -0.23 0.00 0.00 178.00 178.85 2kb5 s VAL 124 N -4.23 4.50 0.03 1.56 0.11 -1.26 -3.61 120.40 117.49 2kb5 s VAL 124 Ca -0.15 -1.32 -0.11 0.00 -2.93 0.00 0.00 61.98 57.47 2kb5 s VAL 124 Cb 0.02 -3.40 0.01 0.00 -1.53 0.00 0.00 36.38 31.47 2kb5 s VAL 124 CO 0.64 -0.30 0.23 0.68 -3.33 0.00 0.00 175.10 173.01 2kb5 s VAL 125 N -2.05 0.09 0.10 2.04 -7.23 -1.15 -4.93 120.40 107.27 2kb5 s VAL 125 Ca 0.33 -0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 59.43 2kb5 s VAL 125 Cb -0.08 -0.81 -0.08 0.00 0.56 0.00 0.00 36.38 35.97 2kb5 s VAL 125 CO 0.25 -0.42 1.37 -2.16 -0.31 0.00 0.00 175.10 173.83 2kb5 s PRO 126 N -2.21 4.33 -0.01 4.82 0.04 -1.26 -1.82 135.00 138.89 2kb5 s PRO 126 Ca -0.08 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2kb5 s PRO 126 Cb -0.03 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.26 2kb5 s PRO 126 CO -0.02 -0.42 0.73 1.33 0.04 0.00 0.00 177.00 178.66 2kb5 n VAL 127 N 3.98 0.33 -3.64 -0.36 0.24 -0.52 -4.59 118.33 113.77 2kb5 n VAL 127 Ca 0.11 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.34 62.00 2kb5 n VAL 127 Cb 0.43 0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 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 -0.39 -0.71 -0.38 6.34 5.65 -1.24 -4.96 115.29 119.60 2kb5 s HIS 128 Ca 0.02 1.50 -0.02 0.00 0.25 0.00 0.00 55.06 56.82 2kb5 s HIS 128 Cb 0.02 0.42 0.10 0.00 -1.18 0.00 0.00 32.58 31.94 2kb5 s HIS 128 CO 0.00 -0.35 0.15 -1.17 -0.65 0.00 0.00 174.74 172.72 2kb5 s LEU 129 N 1.08 4.93 0.06 8.88 2.96 -1.26 -0.07 118.68 135.27 2kb5 s LEU 129 Ca -0.06 -1.90 -0.36 0.00 -0.22 0.00 0.00 54.13 51.60 2kb5 s LEU 129 Cb -0.04 -1.78 -0.20 0.00 0.50 0.00 0.00 46.19 44.66 2kb5 s LEU 129 CO -0.13 -0.47 1.59 -0.78 -1.32 0.00 0.00 176.35 175.25 2kb5 h ASP 130 N 7.98 -1.00 -2.24 3.68 1.82 -1.13 -3.49 116.42 122.04 2kb5 h ASP 130 Ca -0.13 0.04 0.21 0.00 -0.39 0.00 0.00 57.03 56.75 2kb5 h ASP 130 Cb 1.05 0.26 -0.04 0.00 0.68 0.00 0.00 39.33 41.28 2kb5 h ASP 130 CO 0.64 -0.71 0.64 1.07 -1.61 0.00 0.00 179.24 179.28 2kb5 n THR 131 N -5.59 0.00 -3.97 2.25 5.66 -1.26 -5.00 114.28 106.37 2kb5 n THR 131 Ca -0.15 -0.39 -0.30 0.00 -3.05 0.00 0.00 64.05 60.15 2kb5 n THR 131 Cb 0.47 0.65 -0.16 0.00 -1.55 0.00 0.00 70.33 69.74 2kb5 n THR 131 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2kb5 s THR 132 N -2.07 1.60 0.00 1.09 -4.23 -1.26 -0.67 115.64 110.09 2kb5 s THR 132 Ca 0.23 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2kb5 s THR 132 Cb -0.02 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2kb5 s THR 132 CO 0.03 0.00 0.27 -0.38 -0.54 0.00 0.00 174.62 174.00