#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 0.24 2.89 0.04 -1.26 -4.93 135.00 132.35 2kb5 s PRO 2 Ca 0.00 0.51 0.23 0.00 0.04 0.00 0.00 61.00 61.78 2kb5 s PRO 2 Cb 0.00 -1.73 0.95 0.00 0.04 0.00 0.00 34.50 33.76 2kb5 s PRO 2 CO 0.00 -2.77 1.69 -0.35 0.04 0.00 0.00 177.00 175.61 2kb5 n PRO 3 N -4.20 0.18 -0.03 0.56 -0.04 -1.26 -2.78 135.00 127.43 2kb5 n PRO 3 Ca 0.05 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2kb5 n PRO 3 Cb 0.57 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.74 -6.70 0.54 4.20 -2.04 -3.45 115.11 108.40 2kb5 h GLN 4 Ca 0.00 -0.53 -0.65 0.00 0.06 0.00 0.00 58.65 57.53 2kb5 h GLN 4 Cb 0.35 0.09 -0.22 0.00 0.30 0.00 0.00 27.48 28.00 2kb5 h GLN 4 CO 0.00 1.15 -0.85 -0.06 -0.67 0.00 0.00 178.83 178.40 2kb5 s PHE 5 N -3.91 2.19 0.42 2.96 0.08 -1.12 -5.10 117.98 113.51 2kb5 s PHE 5 Ca -0.09 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 2kb5 s PHE 5 Cb 0.10 -1.17 0.10 0.00 -0.57 0.00 0.00 43.02 41.47 2kb5 s PHE 5 CO 0.88 0.33 0.54 0.25 -0.10 0.00 0.00 175.22 177.12 2kb5 n THR 6 N 0.87 0.00 0.07 0.64 -2.24 -1.26 -4.37 114.28 107.99 2kb5 n THR 6 Ca -0.18 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 2kb5 n THR 6 Cb 0.53 -1.69 0.05 0.00 -2.10 0.00 0.00 70.33 67.12 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 0.29 0.00 -0.78 3.08 -1.95 -2.90 114.38 112.12 2kb5 h ARG 7 Ca -0.18 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2kb5 h ARG 7 Cb 0.50 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2kb5 h ARG 7 CO 0.12 0.90 -0.14 0.00 -1.07 0.00 0.00 179.97 179.79 2kb5 n ALA 8 N -2.48 0.12 -0.55 0.04 0.00 -1.26 -3.20 120.51 113.18 2kb5 n ALA 8 Ca -0.04 -0.20 0.46 0.00 0.00 0.00 0.00 53.44 53.66 2kb5 n ALA 8 Cb 0.71 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.96 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 -0.27 0.00 0.06 0.00 -0.00 -1.86 1.70 115.11 114.74 2kb5 h GLN 9 Ca 0.00 -0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.41 2kb5 h GLN 9 Cb 0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.60 2kb5 h GLN 9 CO 0.00 0.00 -1.15 2.35 -0.00 0.00 0.00 178.83 180.03 2kb5 h TRP 10 N 0.00 0.22 0.19 0.06 -0.00 -1.69 -3.22 115.95 111.51 2kb5 h TRP 10 Ca 0.78 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.89 59.51 2kb5 h TRP 10 Cb 3.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 32.28 2kb5 h TRP 10 CO -0.00 1.13 -0.12 0.35 -0.00 0.00 0.00 178.44 179.80 2kb5 h PHE 11 N 0.03 -0.31 0.00 2.65 3.04 0.26 -1.96 116.94 120.65 2kb5 h PHE 11 Ca -0.08 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 2kb5 h PHE 11 Cb 1.87 0.11 -0.00 0.00 2.56 0.00 0.00 35.95 40.49 2kb5 h PHE 11 CO 0.03 -0.19 -0.06 0.00 -2.02 0.00 0.00 178.31 176.07 2kb5 h ALA 12 N 0.50 1.44 -0.61 2.41 0.00 -1.60 0.49 119.26 121.90 2kb5 h ALA 12 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2kb5 h ALA 12 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kb5 h ALA 12 CO 0.02 0.08 0.05 0.82 0.00 0.00 0.00 179.25 180.21 2kb5 h ILE 13 N 0.00 1.26 -0.02 0.00 1.08 -1.37 3.18 117.51 121.64 2kb5 h ILE 13 Ca -0.00 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 2kb5 h ILE 13 Cb 0.16 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2kb5 h ILE 13 CO 0.01 0.39 -0.18 0.00 -0.69 0.00 0.00 178.15 177.68 2kb5 n GLN 14 N -4.20 1.59 0.00 2.37 10.64 -0.82 -4.34 117.38 122.62 2kb5 n GLN 14 Ca 0.04 -1.26 0.00 0.00 -1.83 0.00 0.00 57.00 53.94 2kb5 n GLN 14 Cb 0.31 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 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 0.51 0.00 -3.83 2.61 8.25 0.17 -4.34 115.22 118.59 2kb5 n HIS 15 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 2kb5 n HIS 15 Cb 0.43 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.71 -0.02 -0.30 1.59 1.01 1.06 -0.11 121.20 123.73 2kb5 s ILE 16 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2kb5 s ILE 16 Cb 0.00 -0.05 0.19 0.00 0.01 0.00 0.00 42.46 42.61 2kb5 s ILE 16 CO 0.00 0.03 0.81 -0.94 0.00 0.00 0.00 174.94 174.84 2kb5 s SER 17 N 0.40 -1.00 0.13 3.58 1.04 -0.50 -4.16 113.70 113.18 2kb5 s SER 17 Ca -0.03 0.35 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 2kb5 s SER 17 Cb -0.05 1.73 -0.03 0.00 0.10 0.00 0.00 66.02 67.77 2kb5 s SER 17 CO -0.01 -0.18 1.63 -0.07 0.98 0.00 0.00 173.24 175.59 2kb5 h LEU 18 N 7.83 -0.77 -7.27 2.42 3.38 -1.82 -3.28 115.31 115.79 2kb5 h LEU 18 Ca -0.11 0.12 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2kb5 h LEU 18 Cb 1.18 0.33 -0.37 0.00 0.09 0.00 0.00 40.66 41.88 2kb5 h LEU 18 CO 0.06 -0.31 -0.23 0.54 0.09 0.00 0.00 178.44 178.59 2kb5 s ASN 19 N -4.94 5.67 -0.37 -0.43 2.20 -1.26 -4.85 114.94 110.97 2kb5 s ASN 19 Ca -0.15 -3.73 -0.28 0.00 -0.94 0.00 0.00 52.86 47.76 2kb5 s ASN 19 Cb 0.10 -1.84 -0.01 0.00 -2.00 0.00 0.00 41.25 37.50 2kb5 s ASN 19 CO 0.66 -0.16 1.70 -2.16 -2.94 0.00 0.00 177.10 174.21 2kb5 s PRO 20 N -1.33 3.36 0.00 3.55 0.04 -1.24 -5.00 135.00 134.38 2kb5 s PRO 20 Ca 0.26 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2kb5 s PRO 20 Cb -0.07 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2kb5 s PRO 20 CO -0.13 -1.83 0.00 -0.35 0.04 0.00 0.00 177.00 174.73 2kb5 n PRO 21 N 8.38 0.80 -1.74 0.56 -0.04 -1.26 -4.82 135.00 136.88 2kb5 n PRO 21 Ca 0.21 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 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 -0.30 2.40 0.15 0.54 1.81 -1.26 -4.72 118.95 117.58 2kb5 s ARG 22 Ca 0.00 1.19 0.07 0.00 -1.72 0.00 0.00 55.73 55.27 2kb5 s ARG 22 Cb 0.00 -4.49 0.52 0.00 -0.45 0.00 0.00 34.95 30.54 2kb5 s ARG 22 CO 0.00 -2.96 0.68 0.00 -0.68 0.00 0.00 175.30 172.34 2kb5 h THR 24 N 0.00 0.31 0.04 0.00 2.02 -1.87 -2.10 112.91 111.32 2kb5 h THR 24 Ca 0.34 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.21 2kb5 h THR 24 Cb 0.87 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2kb5 h THR 24 CO -0.35 0.00 -1.80 -0.38 0.37 0.00 0.00 175.52 173.36 2kb5 n ILE 25 N -5.40 1.67 0.27 3.11 5.41 0.51 -3.95 119.36 120.98 2kb5 n ILE 25 Ca 0.02 -0.75 0.11 0.00 1.00 0.00 0.00 62.75 63.13 2kb5 n ILE 25 Cb 0.32 -1.27 0.61 0.00 -0.71 0.00 0.00 39.64 38.58 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 0.69 1.30 -0.58 -1.39 0.00 -0.25 0.88 119.26 119.91 2kb5 h ALA 26 Ca -0.33 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2kb5 h ALA 26 Cb 2.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2kb5 h ALA 26 CO 0.08 -0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.09 2kb5 n MET 27 N -2.55 4.49 -0.02 0.00 0.00 -0.81 -4.32 117.12 113.92 2kb5 n MET 27 Ca -0.01 -3.13 -0.22 0.00 0.00 0.00 0.00 57.70 54.34 2kb5 n MET 27 Cb 0.38 -2.23 -0.13 0.00 0.00 0.00 0.00 33.22 31.24 2kb5 n MET 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2kb5 n ARG 28 N 0.35 0.71 0.11 3.17 -4.01 0.30 -3.34 116.66 113.96 2kb5 n ARG 28 Ca 0.30 0.34 -0.17 0.00 -1.04 0.00 0.00 57.85 57.28 2kb5 n ARG 28 Cb 1.22 -1.72 -0.14 0.00 -3.04 0.00 0.00 32.46 28.78 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kb5 h ALA 29 N -0.07 0.07 -0.28 2.89 0.00 -1.76 -3.12 119.26 116.99 2kb5 h ALA 29 Ca -0.40 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2kb5 h ALA 29 Cb 1.86 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2kb5 h ALA 29 CO 0.02 0.94 0.00 -0.89 0.00 0.00 0.00 179.25 179.32 2kb5 n ILE 30 N -3.55 0.00 0.17 0.00 -0.00 -1.26 -3.30 119.36 111.42 2kb5 n ILE 30 Ca -0.10 0.97 0.16 0.00 -0.00 0.00 0.00 62.75 63.78 2kb5 n ILE 30 Cb 1.04 -1.93 0.56 0.00 -0.00 0.00 0.00 39.64 39.31 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 2.35 -1.75 0.56 115.58 121.12 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 0.45 -1.13 -1.65 0.00 0.00 177.43 175.10 2kb5 h ASN 32 N 0.00 0.00 0.21 5.81 -0.73 -1.53 0.34 115.58 119.68 2kb5 h ASN 32 Ca 0.14 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.31 2kb5 h ASN 32 Cb 1.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.05 2kb5 h ASN 32 CO -0.00 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.06 2kb5 n TYR 33 N -2.49 0.00 -3.82 0.67 0.18 0.19 -4.77 117.16 107.12 2kb5 n TYR 33 Ca -0.01 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.67 2kb5 n TYR 33 Cb 0.48 -0.48 -0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2kb5 n TYR 33 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 2kb5 n ARG 34 N -1.48 0.75 0.02 -3.48 1.85 0.12 -4.56 116.66 109.88 2kb5 n ARG 34 Ca 0.02 -2.09 0.08 0.00 -1.00 0.00 0.00 57.85 54.86 2kb5 n ARG 34 Cb 0.07 2.26 -0.12 0.00 -1.05 0.00 0.00 32.46 33.63 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2kb5 n TRP 35 N -0.46 0.35 -3.93 2.89 7.02 -1.26 -4.90 117.44 117.15 2kb5 n TRP 35 Ca -0.03 0.11 -0.36 0.00 -1.02 0.00 0.00 57.50 56.20 2kb5 n TRP 35 Cb 0.49 -0.73 -0.08 0.00 -2.42 0.00 0.00 31.31 28.58 2kb5 n TRP 35 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 2kb5 s ARG 36 N -3.33 3.69 0.87 -0.99 3.00 -1.26 -4.35 118.95 116.58 2kb5 s ARG 36 Ca -0.06 -0.23 -0.11 0.00 -1.00 0.00 0.00 55.73 54.33 2kb5 s ARG 36 Cb 0.12 -3.21 0.12 0.00 0.00 0.00 0.00 34.95 31.97 2kb5 s ARG 36 CO 0.86 0.54 1.10 0.00 0.00 0.00 0.00 175.30 177.80 2kb5 s LYS 38 N -4.86 3.81 0.27 0.00 2.47 -1.26 -4.99 119.74 115.18 2kb5 s LYS 38 Ca 0.63 0.37 0.24 0.00 -1.56 0.00 0.00 55.97 55.66 2kb5 s LYS 38 Cb -0.19 -2.52 0.44 0.00 -1.46 0.00 0.00 37.83 34.11 2kb5 s LYS 38 CO 0.57 0.15 1.52 -0.97 0.16 0.00 0.00 175.35 176.79 2kb5 h ASN 39 N 1.92 0.00 -4.82 1.43 -0.73 -1.95 -3.41 115.58 108.01 2kb5 h ASN 39 Ca -0.47 -0.04 0.28 0.00 1.87 0.00 0.00 56.30 57.93 2kb5 h ASN 39 Cb 1.18 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.61 2kb5 h ASN 39 CO 0.66 0.02 0.81 -1.58 -0.37 0.00 0.00 177.43 176.97 2kb5 s GLN 40 N -3.19 0.35 -0.18 6.67 0.74 -1.26 -0.66 119.66 122.14 2kb5 s GLN 40 Ca 0.07 -0.16 -0.35 0.00 0.05 0.00 0.00 55.36 54.97 2kb5 s GLN 40 Cb 0.10 0.14 0.14 0.00 1.10 0.00 0.00 33.01 34.49 2kb5 s GLN 40 CO 0.67 -0.16 1.21 1.21 -0.55 0.00 0.00 175.29 177.67 2kb5 s ASN 41 N -2.49 -0.13 -0.03 6.67 2.47 -0.34 -4.97 114.94 116.13 2kb5 s ASN 41 Ca 0.11 -0.01 -0.01 0.00 0.42 0.00 0.00 52.86 53.37 2kb5 s ASN 41 Cb 0.01 0.15 0.03 0.00 -1.45 0.00 0.00 41.25 39.99 2kb5 s ASN 41 CO -0.04 -0.24 0.04 -0.89 -3.72 0.00 0.00 177.10 172.25 2kb5 s THR 42 N -2.43 -0.08 -0.41 -5.21 2.01 -1.26 -1.11 115.64 107.15 2kb5 s THR 42 Ca 0.10 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 2kb5 s THR 42 Cb -0.01 -0.11 0.07 0.00 0.01 0.00 0.00 72.50 72.47 2kb5 s THR 42 CO -0.05 0.12 0.24 -0.36 -0.69 0.00 0.00 174.62 173.89 2kb5 s PHE 43 N 1.48 3.34 0.01 4.92 0.08 0.12 -4.10 117.98 123.84 2kb5 s PHE 43 Ca -0.04 -1.53 -0.30 0.00 0.12 0.00 0.00 56.93 55.17 2kb5 s PHE 43 Cb -0.13 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 2kb5 s PHE 43 CO -0.03 -0.84 1.11 -0.51 -0.10 0.00 0.00 175.22 174.85 2kb5 s LEU 44 N 1.42 4.35 -1.28 -0.37 1.43 0.85 -0.76 118.68 124.31 2kb5 s LEU 44 Ca 0.03 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.77 2kb5 s LEU 44 Cb -0.23 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.45 2kb5 s LEU 44 CO 0.02 -0.41 1.84 0.54 0.23 0.00 0.00 176.35 178.57 2kb5 n ARG 45 N 4.17 2.82 -3.50 1.70 1.74 0.44 -1.42 116.66 122.62 2kb5 n ARG 45 Ca 0.08 -3.01 -0.10 0.00 -0.77 0.00 0.00 57.85 54.06 2kb5 n ARG 45 Cb 0.48 -3.49 -0.02 0.00 -1.02 0.00 0.00 32.46 28.41 2kb5 n ARG 45 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kb5 s THR 46 N 5.31 0.00 0.54 0.55 -1.32 -1.26 -4.61 115.64 114.85 2kb5 s THR 46 Ca 0.56 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.84 2kb5 s THR 46 Cb 0.05 -1.11 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2kb5 s THR 46 CO 0.07 0.00 0.93 -0.89 -2.21 0.00 0.00 174.62 172.52 2kb5 s THR 47 N -3.48 4.73 0.40 5.08 2.01 -1.26 -4.51 115.64 118.61 2kb5 s THR 47 Ca 0.04 0.76 0.06 0.00 0.31 0.00 0.00 61.69 62.86 2kb5 s THR 47 Cb -0.01 -3.82 0.26 0.00 0.01 0.00 0.00 72.50 68.93 2kb5 s THR 47 CO -0.09 -0.92 2.04 0.15 -0.69 0.00 0.00 174.62 175.11 2kb5 h PHE 48 N 0.23 0.57 -0.41 4.92 3.57 -1.99 -2.34 116.94 121.49 2kb5 h PHE 48 Ca -0.46 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 2kb5 h PHE 48 Cb 1.19 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2kb5 h PHE 48 CO 0.63 0.36 0.21 0.00 -2.23 0.00 0.00 178.31 177.29 2kb5 h ALA 49 N 1.71 0.53 0.00 2.41 0.00 -2.00 -0.98 119.26 120.94 2kb5 h ALA 49 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kb5 h ALA 49 Cb -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kb5 h ALA 49 CO -0.03 0.08 -0.06 -0.91 0.00 0.00 0.00 179.25 178.32 2kb5 h ASN 50 N 0.53 0.00 0.19 0.00 2.35 -1.82 -2.66 115.58 114.17 2kb5 h ASN 50 Ca 0.14 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.61 2kb5 h ASN 50 Cb 0.09 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.49 2kb5 h ASN 50 CO -0.02 0.06 -1.28 0.58 -1.65 0.00 0.00 177.43 175.12 2kb5 h VAL 51 N 0.00 1.27 -0.73 2.81 2.07 -1.07 -3.32 116.25 117.29 2kb5 h VAL 51 Ca -0.00 -2.57 0.02 0.00 0.82 0.00 0.00 66.70 64.97 2kb5 h VAL 51 Cb 0.29 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 2kb5 h VAL 51 CO 0.01 0.77 0.49 0.58 0.02 0.00 0.00 177.57 179.43 2kb5 h VAL 52 N -0.11 1.16 0.00 2.57 2.07 -0.88 -0.64 116.25 120.42 2kb5 h VAL 52 Ca -0.24 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2kb5 h VAL 52 Cb 1.92 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2kb5 h VAL 52 CO 0.19 0.17 -0.07 -1.13 0.02 0.00 0.00 177.57 176.75 2kb5 h ASN 53 N 0.95 0.00 1.20 0.57 -1.24 -1.60 -1.56 115.58 113.91 2kb5 h ASN 53 Ca 0.28 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.21 2kb5 h ASN 53 Cb -0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 2kb5 h ASN 53 CO -0.07 0.07 -0.39 0.58 -1.29 0.00 0.00 177.43 176.33 2kb5 h VAL 54 N 0.00 0.77 -0.06 2.57 2.07 -1.20 -3.01 116.25 117.39 2kb5 h VAL 54 Ca -0.00 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2kb5 h VAL 54 Cb 0.27 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2kb5 h VAL 54 CO 0.01 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2kb5 n GLY 56 N 0.38 -0.49 3.74 0.00 0.00 -1.13 -4.89 105.19 102.80 2kb5 n GLY 56 Ca 0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2kb5 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kb5 s ASN 57 N -3.29 3.74 -0.47 1.61 2.20 -1.20 -4.83 114.94 112.70 2kb5 s ASN 57 Ca -0.04 1.41 -0.38 0.00 -0.94 0.00 0.00 52.86 52.91 2kb5 s ASN 57 Cb 0.07 -2.10 -0.15 0.00 -2.00 0.00 0.00 41.25 37.07 2kb5 s ASN 57 CO 0.44 -2.46 2.23 1.67 -2.94 0.00 0.00 177.10 176.04 2kb5 n GLN 58 N -3.76 0.58 -1.41 3.55 -0.06 -1.26 -4.87 117.38 110.15 2kb5 n GLN 58 Ca 0.07 0.14 -0.32 0.00 -2.00 0.00 0.00 57.00 54.89 2kb5 n GLN 58 Cb 0.56 -2.06 0.09 0.00 -4.06 0.00 0.00 30.24 24.77 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 7.18 4.45 0.29 1.69 1.04 -1.26 -4.68 113.70 122.40 2kb5 s SER 59 Ca 1.15 2.05 0.06 0.00 0.48 0.00 0.00 55.95 59.70 2kb5 s SER 59 Cb -1.11 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 62.44 2kb5 s SER 59 CO 0.54 -2.08 0.27 2.30 0.98 0.00 0.00 173.24 175.25 2kb5 n ILE 60 N -3.03 0.00 -2.58 -1.02 -5.35 -1.19 -5.02 119.36 101.17 2kb5 n ILE 60 Ca 0.11 -2.04 -0.42 0.00 -0.27 0.00 0.00 62.75 60.13 2kb5 n ILE 60 Cb 0.52 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 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 -3.11 4.41 0.47 6.28 1.70 -1.26 -4.46 118.95 122.97 2kb5 s ARG 61 Ca 0.33 1.53 -0.14 0.00 -0.47 0.00 0.00 55.73 56.99 2kb5 s ARG 61 Cb 0.01 -3.52 -0.07 0.00 -0.57 0.00 0.00 34.95 30.80 2kb5 s ARG 61 CO 0.24 -0.33 0.89 0.00 -1.08 0.00 0.00 175.30 175.01 2kb5 h PRO 63 N 1.04 0.43 0.00 0.00 0.13 -1.95 -2.88 132.00 128.77 2kb5 h PRO 63 Ca -0.47 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.41 2kb5 h PRO 63 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kb5 h PRO 63 CO 0.63 0.80 -0.12 1.25 -0.23 0.00 0.00 178.00 180.33 2kb5 h HIS 64 N 0.35 0.00 -2.85 1.56 -0.00 -1.94 -3.40 115.15 108.87 2kb5 h HIS 64 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 60.10 2kb5 h HIS 64 Cb 0.92 0.00 -0.36 0.00 -0.00 0.00 0.00 27.41 27.98 2kb5 h HIS 64 CO 0.03 0.12 -0.62 -0.80 -0.00 0.00 0.00 177.93 176.65 2kb5 s ASN 65 N -6.02 0.99 0.00 3.26 0.01 -1.09 -5.00 114.94 107.10 2kb5 s ASN 65 Ca -0.02 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 2kb5 s ASN 65 Cb 0.12 0.36 0.00 0.00 0.41 0.00 0.00 41.25 42.14 2kb5 s ASN 65 CO 0.57 -0.28 0.89 -2.11 -1.51 0.00 0.00 177.10 174.67 2kb5 n ARG 66 N 5.33 0.95 0.00 -0.60 1.85 -1.25 -3.48 116.66 119.47 2kb5 n ARG 66 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2kb5 n ARG 66 Cb 0.50 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 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 -0.43 0.00 -2.01 8.89 5.66 -1.26 -5.02 114.28 120.11 2kb5 n THR 67 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 2kb5 n THR 67 Cb 0.03 -0.23 -0.03 0.00 -1.55 0.00 0.00 70.33 68.55 2kb5 n THR 67 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kb5 s LEU 68 N -2.30 4.33 -0.56 1.09 0.20 -1.23 -4.94 118.68 115.28 2kb5 s LEU 68 Ca 0.00 2.29 0.07 0.00 0.69 0.00 0.00 54.13 57.18 2kb5 s LEU 68 Cb 0.00 -3.55 0.27 0.00 -0.43 0.00 0.00 46.19 42.48 2kb5 s LEU 68 CO 0.00 -0.88 0.72 -0.46 -0.29 0.00 0.00 176.35 175.44 2kb5 n ASN 69 N 6.43 2.85 -0.36 3.68 6.94 -1.26 -3.62 115.26 129.91 2kb5 n ASN 69 Ca 0.16 -3.27 0.02 0.00 -0.02 0.00 0.00 54.58 51.47 2kb5 n ASN 69 Cb 0.42 -0.65 0.03 0.00 -2.36 0.00 0.00 39.78 37.23 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2kb5 n ASN 70 N 0.81 0.62 -4.67 0.53 4.13 -1.26 -4.95 115.26 110.46 2kb5 n ASN 70 Ca 0.28 -2.23 -0.30 0.00 1.68 0.00 0.00 54.58 54.01 2kb5 n ASN 70 Cb 0.45 -0.24 -0.10 0.00 -1.54 0.00 0.00 39.78 38.35 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 -2.77 -0.03 -0.06 0.00 0.09 -1.22 -3.14 115.29 108.17 2kb5 s HIS 72 Ca 0.25 -0.10 -0.02 0.00 -0.00 0.00 0.00 55.06 55.18 2kb5 s HIS 72 Cb 0.07 0.03 -0.04 0.00 -0.00 0.00 0.00 32.58 32.64 2kb5 s HIS 72 CO 0.13 -0.43 0.08 0.50 -0.00 0.00 0.00 174.74 175.01 2kb5 s ARG 73 N -2.27 3.14 -0.26 1.40 3.52 -1.26 -3.43 118.95 119.79 2kb5 s ARG 73 Ca -0.07 -0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 54.87 2kb5 s ARG 73 Cb -0.02 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2kb5 s ARG 73 CO -0.02 0.70 1.91 -1.54 -0.81 0.00 0.00 175.30 175.53 2kb5 s SER 74 N -1.32 5.85 0.37 -2.12 1.04 -1.16 -4.85 113.70 111.51 2kb5 s SER 74 Ca 0.18 1.58 0.05 0.00 0.48 0.00 0.00 55.95 58.25 2kb5 s SER 74 Cb -0.12 -2.52 0.74 0.00 0.10 0.00 0.00 66.02 64.22 2kb5 s SER 74 CO 0.08 -1.69 1.99 0.08 0.98 0.00 0.00 173.24 174.68 2kb5 h ARG 75 N 13.13 0.72 -5.63 4.02 0.11 -1.95 -3.42 114.38 121.37 2kb5 h ARG 75 Ca -0.37 -0.04 -0.66 0.00 0.10 0.00 0.00 59.98 59.01 2kb5 h ARG 75 Cb 1.19 -0.16 -0.09 0.00 1.11 0.00 0.00 29.97 32.02 2kb5 h ARG 75 CO 1.00 0.48 -0.50 -0.06 0.10 0.00 0.00 179.97 180.99 2kb5 s PHE 76 N -5.65 3.53 0.33 4.08 0.08 -1.26 -5.06 117.98 114.02 2kb5 s PHE 76 Ca -0.10 0.46 -0.26 0.00 0.12 0.00 0.00 56.93 57.16 2kb5 s PHE 76 Cb 0.18 -1.95 -0.10 0.00 -0.57 0.00 0.00 43.02 40.59 2kb5 s PHE 76 CO 0.76 0.65 0.98 1.03 -0.10 0.00 0.00 175.22 178.55 2kb5 s ARG 77 N -0.85 4.51 0.02 0.44 0.52 -1.26 -4.73 118.95 117.60 2kb5 s ARG 77 Ca 0.14 1.43 -0.05 0.00 -0.52 0.00 0.00 55.73 56.73 2kb5 s ARG 77 Cb -0.12 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2kb5 s ARG 77 CO 0.03 0.19 0.08 0.14 0.02 0.00 0.00 175.30 175.77 2kb5 s VAL 78 N -1.55 0.11 -0.08 3.52 -7.23 -1.20 -4.92 120.40 109.05 2kb5 s VAL 78 Ca 0.51 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 2kb5 s VAL 78 Cb -0.21 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2kb5 s VAL 78 CO 0.27 -0.51 1.51 -2.16 -0.31 0.00 0.00 175.10 173.90 2kb5 s PRO 79 N -1.95 4.21 0.46 4.82 0.04 -1.26 -1.87 135.00 139.44 2kb5 s PRO 79 Ca -0.11 2.01 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2kb5 s PRO 79 Cb -0.05 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2kb5 s PRO 79 CO -0.02 -0.78 0.02 -0.48 0.04 0.00 0.00 177.00 175.79 2kb5 s LEU 80 N 3.70 2.61 -0.06 -3.56 0.05 0.16 -0.42 118.68 121.16 2kb5 s LEU 80 Ca 0.67 -1.49 0.01 0.00 0.05 0.00 0.00 54.13 53.37 2kb5 s LEU 80 Cb -0.30 -0.85 0.02 0.00 -2.05 0.00 0.00 46.19 43.01 2kb5 s LEU 80 CO 0.25 -0.66 -0.06 -0.22 -0.55 0.00 0.00 176.35 175.11 2kb5 s LEU 81 N -3.81 1.32 0.10 1.48 1.98 0.06 -2.21 118.68 117.60 2kb5 s LEU 81 Ca 0.21 -0.18 0.03 0.00 -2.89 0.00 0.00 54.13 51.30 2kb5 s LEU 81 Cb 0.05 -0.57 -0.04 0.00 0.66 0.00 0.00 46.19 46.30 2kb5 s LEU 81 CO 0.11 -0.05 0.16 -1.00 -1.89 0.00 0.00 176.35 173.68 2kb5 s HIS 82 N 1.02 3.32 -0.26 5.38 3.76 -0.19 0.16 115.29 128.47 2kb5 s HIS 82 Ca -0.09 0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 54.89 2kb5 s HIS 82 Cb -0.14 -1.64 0.15 0.00 1.11 0.00 0.00 32.58 32.05 2kb5 s HIS 82 CO -0.00 0.54 0.50 0.00 -0.85 0.00 0.00 174.74 174.93 2kb5 s ASP 84 N 2.72 5.75 -0.66 0.00 1.11 -1.22 -1.19 116.67 123.17 2kb5 s ASP 84 Ca 0.11 0.27 -0.26 0.00 0.18 0.00 0.00 52.55 52.85 2kb5 s ASP 84 Cb -0.14 -1.73 -0.12 0.00 1.07 0.00 0.00 42.92 42.00 2kb5 s ASP 84 CO -0.18 0.37 2.42 -0.11 1.18 0.00 0.00 175.17 178.85 2kb5 n LEU 85 N 1.89 1.92 0.06 1.23 7.94 0.16 -1.69 117.00 128.52 2kb5 n LEU 85 Ca -0.18 -0.99 0.04 0.00 -1.11 0.00 0.00 56.01 53.77 2kb5 n LEU 85 Cb 0.54 -1.58 0.22 0.00 0.53 0.00 0.00 43.42 43.13 2kb5 n LEU 85 CO 0.31 -2.09 0.63 -0.38 -1.11 0.00 0.00 177.39 174.75 2kb5 n ILE 86 N 8.33 1.53 -3.75 1.96 5.41 -0.91 -3.44 119.36 128.50 2kb5 n ILE 86 Ca 0.44 0.59 -0.28 0.00 1.00 0.00 0.00 62.75 64.50 2kb5 n ILE 86 Cb 0.47 -1.59 -0.12 0.00 -0.71 0.00 0.00 39.64 37.68 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 -3.34 3.77 -0.14 4.38 4.22 -1.26 -5.00 114.94 117.57 2kb5 s ASN 87 Ca -0.01 -3.35 -0.29 0.00 -2.14 0.00 0.00 52.86 47.07 2kb5 s ASN 87 Cb 0.02 -1.24 -0.04 0.00 1.28 0.00 0.00 41.25 41.27 2kb5 s ASN 87 CO 0.07 -0.15 1.56 -2.16 -2.04 0.00 0.00 177.10 174.38 2kb5 s PRO 88 N -0.63 4.04 0.00 3.55 0.04 -1.22 -2.46 135.00 138.30 2kb5 s PRO 88 Ca 0.24 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2kb5 s PRO 88 Cb -0.09 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2kb5 s PRO 88 CO -0.12 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2kb5 n GLY 89 N 4.24 0.49 3.76 0.56 0.00 -1.26 -5.08 105.19 107.89 2kb5 n GLY 89 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 3.41 -0.58 4.61 0.00 -1.03 -4.99 121.76 121.18 2kb5 s ALA 90 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.91 2kb5 s ALA 90 Cb 0.00 -3.34 0.32 0.00 0.00 0.00 0.00 23.12 20.10 2kb5 s ALA 90 CO 0.00 -0.18 0.89 1.04 0.00 0.00 0.00 175.76 177.50 2kb5 n GLN 91 N 1.39 2.93 -3.15 0.00 6.02 -1.26 -4.56 117.38 118.74 2kb5 n GLN 91 Ca -0.00 -4.72 0.04 0.00 -0.01 0.00 0.00 57.00 52.30 2kb5 n GLN 91 Cb 0.45 -2.20 -0.01 0.00 1.02 0.00 0.00 30.24 29.50 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kb5 s ASN 92 N -3.16 -1.48 0.45 1.08 2.20 -1.26 -4.91 114.94 107.86 2kb5 s ASN 92 Ca 0.46 0.61 0.30 0.00 -0.94 0.00 0.00 52.86 53.30 2kb5 s ASN 92 Cb 0.25 2.11 1.59 0.00 -2.00 0.00 0.00 41.25 43.20 2kb5 s ASN 92 CO -0.11 -0.27 1.93 0.16 -2.94 0.00 0.00 177.10 175.87 2kb5 h ILE 93 N 5.99 0.00 0.17 0.54 3.07 -1.93 -1.47 117.51 123.89 2kb5 h ILE 93 Ca -0.15 -0.06 -0.26 0.00 1.55 0.00 0.00 64.86 65.94 2kb5 h ILE 93 Cb 1.17 0.78 0.02 0.00 -0.27 0.00 0.00 36.82 38.52 2kb5 h ILE 93 CO 0.21 0.00 -1.19 0.28 -1.05 0.00 0.00 178.15 176.41 2kb5 h SER 94 N 0.00 0.58 -0.86 2.16 0.02 -1.95 -3.33 113.55 110.17 2kb5 h SER 94 Ca 0.00 -0.93 -0.52 0.00 -0.84 0.00 0.00 61.79 59.51 2kb5 h SER 94 Cb 0.08 -0.19 -0.28 0.00 0.14 0.00 0.00 62.40 62.15 2kb5 h SER 94 CO 0.00 1.56 0.46 0.59 -1.14 0.00 0.00 176.83 178.30 2kb5 n ASN 95 N -3.93 5.00 -4.33 3.07 4.13 -0.80 -4.91 115.26 113.50 2kb5 n ASN 95 Ca -0.18 -3.72 -0.43 0.00 1.68 0.00 0.00 54.58 51.93 2kb5 n ASN 95 Cb 0.94 -0.80 -0.08 0.00 -1.54 0.00 0.00 39.78 38.29 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 1.54 3.73 0.15 0.00 1.81 -1.26 -4.80 118.95 120.12 2kb5 s ARG 97 Ca 0.04 0.31 0.05 0.00 -1.72 0.00 0.00 55.73 54.41 2kb5 s ARG 97 Cb -0.24 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 31.73 2kb5 s ARG 97 CO 0.04 0.05 -0.12 0.71 -0.68 0.00 0.00 175.30 175.31 2kb5 s TYR 98 N -2.27 1.36 -0.50 -0.53 2.02 -1.26 -2.13 117.35 114.04 2kb5 s TYR 98 Ca 0.49 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 56.40 2kb5 s TYR 98 Cb -0.10 -0.68 0.12 0.00 -0.40 0.00 0.00 41.96 40.89 2kb5 s TYR 98 CO 0.31 0.14 0.40 0.00 -1.57 0.00 0.00 175.55 174.83 2kb5 s ALA 99 N -2.92 3.50 0.26 3.71 0.00 -0.68 -4.81 121.76 120.82 2kb5 s ALA 99 Ca 0.15 -2.50 -0.30 0.00 0.00 0.00 0.00 51.96 49.31 2kb5 s ALA 99 Cb -0.00 -3.00 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 2kb5 s ALA 99 CO 0.02 -1.93 1.51 -0.51 0.00 0.00 0.00 175.76 174.85 2kb5 s ASP 100 N 3.01 6.53 -0.26 0.00 1.11 -1.26 -3.44 116.67 122.35 2kb5 s ASP 100 Ca 0.04 2.79 -0.01 0.00 0.18 0.00 0.00 52.55 55.55 2kb5 s ASP 100 Cb -0.27 -2.63 0.14 0.00 1.07 0.00 0.00 42.92 41.23 2kb5 s ASP 100 CO 0.01 -0.80 0.35 -0.60 1.18 0.00 0.00 175.17 175.32 2kb5 s ARG 101 N -0.35 0.35 0.49 8.23 3.00 -0.55 -4.98 118.95 125.13 2kb5 s ARG 101 Ca 0.62 0.24 -0.22 0.00 -1.00 0.00 0.00 55.73 55.37 2kb5 s ARG 101 Cb -0.45 -0.54 -0.07 0.00 0.00 0.00 0.00 34.95 33.90 2kb5 s ARG 101 CO 0.45 -0.84 1.15 -1.25 0.00 0.00 0.00 175.30 174.81 2kb5 s PRO 102 N 2.49 3.63 0.11 5.12 0.04 -1.26 -1.02 135.00 144.10 2kb5 s PRO 102 Ca 0.11 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 2kb5 s PRO 102 Cb -0.14 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.20 2kb5 s PRO 102 CO -0.23 -0.65 1.04 0.20 0.04 0.00 0.00 177.00 177.40 2kb5 s GLY 103 N -1.50 -0.28 -0.25 0.56 0.00 -0.94 -4.92 107.32 100.00 2kb5 s GLY 103 Ca 0.67 0.28 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 2kb5 s GLY 103 CO 0.32 0.04 0.36 -1.60 0.00 0.00 0.00 173.10 172.21 2kb5 s ARG 104 N -3.07 0.33 0.17 2.90 3.52 -1.26 0.36 118.95 121.90 2kb5 s ARG 104 Ca 0.13 0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 56.04 2kb5 s ARG 104 Cb 0.00 -0.56 0.04 0.00 -1.56 0.00 0.00 34.95 32.87 2kb5 s ARG 104 CO 0.01 -0.70 0.57 2.89 -0.81 0.00 0.00 175.30 177.25 2kb5 n ARG 105 N 5.36 0.53 -1.39 5.12 1.85 -0.78 -4.79 116.66 122.55 2kb5 n ARG 105 Ca -0.03 -1.11 -0.29 0.00 -1.00 0.00 0.00 57.85 55.42 2kb5 n ARG 105 Cb 0.50 1.44 0.17 0.00 -1.05 0.00 0.00 32.46 33.51 2kb5 n ARG 105 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2kb5 s PHE 106 N -4.15 2.05 -0.07 2.89 0.08 -1.20 -3.25 117.98 114.34 2kb5 s PHE 106 Ca 0.12 0.80 -0.04 0.00 0.12 0.00 0.00 56.93 57.93 2kb5 s PHE 106 Cb -0.02 -3.41 0.03 0.00 -0.57 0.00 0.00 43.02 39.05 2kb5 s PHE 106 CO 0.05 -2.77 0.17 1.52 -0.10 0.00 0.00 175.22 174.10 2kb5 s TYR 107 N -3.19 -0.21 -0.49 0.36 -0.85 -1.26 0.19 117.35 111.91 2kb5 s TYR 107 Ca 0.66 0.54 -0.16 0.00 -0.52 0.00 0.00 57.07 57.59 2kb5 s TYR 107 Cb -0.15 -0.02 0.07 0.00 0.38 0.00 0.00 41.96 42.25 2kb5 s TYR 107 CO 0.55 -0.16 0.46 0.08 -1.52 0.00 0.00 175.55 174.96 2kb5 s VAL 108 N 0.91 5.15 -0.07 -3.49 1.01 0.14 -2.98 120.40 121.07 2kb5 s VAL 108 Ca -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2kb5 s VAL 108 Cb -0.09 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2kb5 s VAL 108 CO -0.05 -0.66 -0.15 0.68 0.00 0.00 0.00 175.10 174.92 2kb5 s VAL 109 N 1.87 2.96 -0.66 2.92 -7.23 -1.22 -0.25 120.40 118.78 2kb5 s VAL 109 Ca 0.06 -0.74 -0.25 0.00 -1.81 0.00 0.00 61.98 59.24 2kb5 s VAL 109 Cb -0.24 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.57 2kb5 s VAL 109 CO 0.07 0.57 1.12 0.00 -0.31 0.00 0.00 175.10 176.55 2kb5 s ALA 110 N -0.37 2.96 -0.19 1.32 0.00 0.38 -3.42 121.76 122.43 2kb5 s ALA 110 Ca 0.04 -1.43 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 2kb5 s ALA 110 Cb -0.12 -4.02 -0.03 0.00 0.00 0.00 0.00 23.12 18.95 2kb5 s ALA 110 CO 0.02 -2.90 0.60 0.00 0.00 0.00 0.00 175.76 173.48 2kb5 s ASP 112 N 1.16 1.27 -0.43 0.00 -1.08 -0.86 -4.72 116.67 112.01 2kb5 s ASP 112 Ca 0.28 -0.66 -0.31 0.00 -0.52 0.00 0.00 52.55 51.34 2kb5 s ASP 112 Cb -0.16 0.01 -0.10 0.00 -1.46 0.00 0.00 42.92 41.21 2kb5 s ASP 112 CO 0.10 -0.19 2.32 0.59 0.52 0.00 0.00 175.17 178.51 2kb5 n ASN 113 N 1.09 2.24 -5.02 -0.34 4.13 -1.26 -2.68 115.26 113.41 2kb5 n ASN 113 Ca -0.20 0.08 -0.19 0.00 1.68 0.00 0.00 54.58 55.95 2kb5 n ASN 113 Cb 0.56 -1.38 0.04 0.00 -1.54 0.00 0.00 39.78 37.46 2kb5 n ASN 113 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2kb5 s ARG 114 N 7.13 2.49 0.38 3.52 1.81 -1.22 -4.99 118.95 128.08 2kb5 s ARG 114 Ca 1.07 -1.50 -0.26 0.00 -1.72 0.00 0.00 55.73 53.32 2kb5 s ARG 114 Cb -0.59 -2.68 -0.11 0.00 -0.45 0.00 0.00 34.95 31.11 2kb5 s ARG 114 CO 0.40 -0.65 1.25 -3.47 -0.68 0.00 0.00 175.30 172.15 2kb5 n ASP 115 N -2.10 2.50 0.00 0.23 -0.08 -1.26 -4.84 116.55 111.00 2kb5 n ASP 115 Ca 0.13 1.15 0.05 0.00 -1.51 0.00 0.00 54.79 54.61 2kb5 n ASP 115 Cb 0.61 -1.48 0.32 0.00 2.34 0.00 0.00 41.12 42.91 2kb5 n ASP 115 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2kb5 n PRO 116 N 0.28 0.49 -0.05 -0.67 -0.04 -1.26 -2.23 135.00 131.52 2kb5 n PRO 116 Ca 0.06 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2kb5 n PRO 116 Cb 0.38 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.66 0.08 0.54 1.85 -1.26 -3.98 116.66 113.70 2kb5 n ARG 117 Ca 0.08 0.06 -0.22 0.00 -1.00 0.00 0.00 57.85 56.78 2kb5 n ARG 117 Cb 0.04 -1.63 -0.14 0.00 -1.05 0.00 0.00 32.46 29.68 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 0.70 -3.24 2.89 3.32 -1.82 -3.42 116.42 114.86 2kb5 h ASP 118 Ca -0.35 -0.88 -0.60 0.00 0.02 0.00 0.00 57.03 55.22 2kb5 h ASP 118 Cb 1.90 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 40.83 2kb5 h ASP 118 CO 0.04 1.52 -0.77 -0.55 -1.72 0.00 0.00 179.24 177.76 2kb5 s SER 119 N -7.24 3.52 0.49 6.45 0.15 -1.22 -4.96 113.70 110.89 2kb5 s SER 119 Ca -0.11 -2.41 0.28 0.00 0.70 0.00 0.00 55.95 54.41 2kb5 s SER 119 Cb 0.03 -0.85 1.18 0.00 -1.71 0.00 0.00 66.02 64.67 2kb5 s SER 119 CO 0.89 -0.29 1.93 1.55 1.20 0.00 0.00 173.24 178.52 2kb5 h PRO 120 N 6.95 0.00 0.00 5.44 0.13 -1.82 -3.32 132.00 139.38 2kb5 h PRO 120 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 2kb5 h PRO 120 Cb 0.95 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 2kb5 h PRO 120 CO 0.43 0.14 -1.49 2.89 -0.23 0.00 0.00 178.00 179.73 2kb5 n ARG 121 N -3.34 0.54 -3.09 0.86 1.85 -1.26 -4.93 116.66 107.30 2kb5 n ARG 121 Ca -0.00 0.35 -0.39 0.00 -1.00 0.00 0.00 57.85 56.81 2kb5 n ARG 121 Cb 0.35 -1.56 -0.05 0.00 -1.05 0.00 0.00 32.46 30.16 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 3.61 0.08 2.89 2.02 -1.25 -4.98 117.35 117.16 2kb5 s TYR 122 Ca -0.30 1.23 -0.17 0.00 -0.37 0.00 0.00 57.07 57.47 2kb5 s TYR 122 Cb 0.08 -2.75 -0.10 0.00 -0.40 0.00 0.00 41.96 38.78 2kb5 s TYR 122 CO 0.44 0.16 1.39 -1.00 -1.57 0.00 0.00 175.55 174.98 2kb5 h PRO 123 N 6.46 0.59 -6.26 -1.71 0.13 -1.92 -3.42 132.00 125.87 2kb5 h PRO 123 Ca -0.42 -0.31 -0.57 0.00 -0.87 0.00 0.00 66.00 63.82 2kb5 h PRO 123 Cb 1.20 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2kb5 h PRO 123 CO 0.74 0.91 -0.61 0.54 -0.23 0.00 0.00 178.00 179.35 2kb5 s VAL 124 N -4.33 4.01 0.02 1.56 0.11 -1.26 -3.45 120.40 117.06 2kb5 s VAL 124 Ca -0.13 -1.39 -0.09 0.00 -2.93 0.00 0.00 61.98 57.44 2kb5 s VAL 124 Cb 0.08 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 2kb5 s VAL 124 CO 0.80 -0.18 0.19 0.68 -3.33 0.00 0.00 175.10 173.27 2kb5 s VAL 125 N -1.87 0.10 0.08 2.04 -7.23 -1.09 -4.90 120.40 107.52 2kb5 s VAL 125 Ca 0.30 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.35 2kb5 s VAL 125 Cb -0.09 -0.76 -0.07 0.00 0.56 0.00 0.00 36.38 36.02 2kb5 s VAL 125 CO 0.21 -0.44 1.39 -2.16 -0.31 0.00 0.00 175.10 173.79 2kb5 s PRO 126 N -2.14 4.31 0.00 4.82 0.04 -1.26 -2.03 135.00 138.74 2kb5 s PRO 126 Ca -0.08 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2kb5 s PRO 126 Cb -0.03 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2kb5 s PRO 126 CO -0.02 -0.48 0.60 1.33 0.04 0.00 0.00 177.00 178.47 2kb5 n VAL 127 N 4.18 0.35 -3.60 -0.36 0.24 -0.89 -4.40 118.33 113.85 2kb5 n VAL 127 Ca 0.12 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 2kb5 n VAL 127 Cb 0.43 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.35 -0.51 -0.22 6.34 5.65 -1.25 -4.97 115.29 119.98 2kb5 s HIS 128 Ca 0.00 1.07 0.01 0.00 0.25 0.00 0.00 55.06 56.39 2kb5 s HIS 128 Cb 0.00 0.39 0.05 0.00 -1.18 0.00 0.00 32.58 31.84 2kb5 s HIS 128 CO 0.00 -0.35 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.48 2kb5 s LEU 129 N -0.44 2.54 -0.02 8.88 1.98 -1.26 -0.47 118.68 129.89 2kb5 s LEU 129 Ca -0.01 -1.05 -0.21 0.00 -2.89 0.00 0.00 54.13 49.96 2kb5 s LEU 129 Cb -0.03 -1.26 -0.13 0.00 0.66 0.00 0.00 46.19 45.44 2kb5 s LEU 129 CO 0.00 -0.18 0.90 0.44 -1.89 0.00 0.00 176.35 175.62 2kb5 h ASP 130 N 7.94 -0.47 -5.56 3.68 3.32 -1.01 -3.49 116.42 120.82 2kb5 h ASP 130 Ca -0.23 -0.08 0.23 0.00 0.02 0.00 0.00 57.03 56.96 2kb5 h ASP 130 Cb 1.08 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.70 2kb5 h ASP 130 CO 0.45 -0.05 0.69 0.28 -1.72 0.00 0.00 179.24 178.90 2kb5 s THR 131 N -3.92 0.00 -0.22 0.35 -1.32 -1.25 -5.00 115.64 104.28 2kb5 s THR 131 Ca -0.11 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.94 2kb5 s THR 131 Cb 0.01 -2.75 0.05 0.00 -1.51 0.00 0.00 72.50 68.30 2kb5 s THR 131 CO 0.38 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 173.10 2kb5 s THR 132 N -2.24 1.89 0.00 5.08 -4.23 -1.26 -0.69 115.64 114.19 2kb5 s THR 132 Ca 0.22 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 2kb5 s THR 132 Cb -0.01 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.88 2kb5 s THR 132 CO 0.03 0.13 0.13 0.00 -0.54 0.00 0.00 174.62 174.37