#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 0.36 0.00 2.89 0.04 -1.23 -4.90 135.00 132.16 2kb5 s PRO 2 Ca 0.00 0.51 0.15 0.00 0.04 0.00 0.00 61.00 61.70 2kb5 s PRO 2 Cb 0.00 -1.73 0.91 0.00 0.04 0.00 0.00 34.50 33.72 2kb5 s PRO 2 CO 0.00 -2.78 1.32 -0.35 0.04 0.00 0.00 177.00 175.23 2kb5 n PRO 3 N -4.21 0.49 -0.07 0.56 -0.04 -1.26 -2.54 135.00 127.93 2kb5 n PRO 3 Ca 0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2kb5 n PRO 3 Cb 0.57 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 2kb5 n PRO 3 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kb5 n GLN 4 N -0.99 1.31 -4.96 0.54 6.02 -1.26 -5.00 117.38 113.04 2kb5 n GLN 4 Ca 0.11 0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.83 2kb5 n GLN 4 Cb 0.05 -1.33 -0.14 0.00 1.02 0.00 0.00 30.24 29.84 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kb5 s PHE 5 N -2.32 2.49 0.54 1.08 0.08 -1.05 -5.10 117.98 113.70 2kb5 s PHE 5 Ca -0.13 -0.31 -0.09 0.00 0.12 0.00 0.00 56.93 56.52 2kb5 s PHE 5 Cb 0.05 -1.51 0.14 0.00 -0.57 0.00 0.00 43.02 41.12 2kb5 s PHE 5 CO 0.47 0.13 0.48 0.25 -0.10 0.00 0.00 175.22 176.45 2kb5 n THR 6 N 2.06 0.00 0.07 0.64 -2.24 -1.26 -3.50 114.28 110.06 2kb5 n THR 6 Ca -0.16 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 2kb5 n THR 6 Cb 0.52 -1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.92 -2.87 114.38 112.18 2kb5 h ARG 7 Ca -0.18 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2kb5 h ARG 7 Cb 0.55 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2kb5 h ARG 7 CO 0.12 0.99 -0.22 0.00 -1.07 0.00 0.00 179.97 179.78 2kb5 h ALA 8 N 0.91 0.00 -1.05 0.04 0.00 -1.93 -3.08 119.26 114.15 2kb5 h ALA 8 Ca -0.05 -0.31 0.30 0.00 0.00 0.00 0.00 54.91 54.86 2kb5 h ALA 8 Cb 1.47 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2kb5 h ALA 8 CO 0.14 0.22 0.87 -0.56 0.00 0.00 0.00 179.25 179.92 2kb5 h GLN 9 N -0.58 0.00 0.00 0.00 -0.00 -1.85 1.29 115.11 113.96 2kb5 h GLN 9 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 2kb5 h GLN 9 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.68 2kb5 h GLN 9 CO 0.00 0.00 -1.00 2.35 -0.00 0.00 0.00 178.83 180.18 2kb5 h TRP 10 N 0.00 0.00 0.06 0.06 -0.00 -1.67 -3.20 115.95 111.20 2kb5 h TRP 10 Ca 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.38 2kb5 h TRP 10 Cb 2.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.39 2kb5 h TRP 10 CO 0.00 0.74 -0.03 0.35 -0.00 0.00 0.00 178.44 179.50 2kb5 h PHE 11 N 0.00 -0.08 0.00 2.65 3.04 0.17 -2.87 116.94 119.86 2kb5 h PHE 11 Ca -0.07 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.84 2kb5 h PHE 11 Cb 1.63 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 40.16 2kb5 h PHE 11 CO 0.00 0.18 -0.17 0.00 -2.02 0.00 0.00 178.31 176.30 2kb5 h ALA 12 N 0.59 1.44 -0.82 2.41 0.00 -1.60 0.41 119.26 121.69 2kb5 h ALA 12 Ca -0.01 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.86 2kb5 h ALA 12 Cb 0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2kb5 h ALA 12 CO 0.01 0.21 0.44 0.82 0.00 0.00 0.00 179.25 180.74 2kb5 h ILE 13 N 0.00 0.82 0.00 0.00 1.08 -1.50 2.98 117.51 120.90 2kb5 h ILE 13 Ca -0.00 -0.24 -0.25 0.00 -0.39 0.00 0.00 64.86 63.98 2kb5 h ILE 13 Cb 0.37 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.14 2kb5 h ILE 13 CO 0.02 0.13 -2.10 0.00 -0.69 0.00 0.00 178.15 175.51 2kb5 n GLN 14 N -4.81 1.13 0.00 2.37 10.64 -1.06 -4.35 117.38 121.30 2kb5 n GLN 14 Ca 0.15 -0.04 0.12 0.00 -1.83 0.00 0.00 57.00 55.41 2kb5 n GLN 14 Cb 0.34 -1.43 0.31 0.00 -0.86 0.00 0.00 30.24 28.60 2kb5 n GLN 14 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2kb5 n HIS 15 N -2.54 0.00 -3.80 2.61 8.25 0.14 -3.96 115.22 115.92 2kb5 n HIS 15 Ca -0.23 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.09 2kb5 n HIS 15 Cb 0.95 -0.19 -0.15 0.00 1.12 0.00 0.00 29.99 31.72 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 -2.77 -0.04 -0.30 1.59 1.01 0.99 -0.21 121.20 121.49 2kb5 s ILE 16 Ca 0.17 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 2kb5 s ILE 16 Cb 0.18 -0.08 0.18 0.00 0.01 0.00 0.00 42.46 42.76 2kb5 s ILE 16 CO 0.62 0.05 0.92 -0.55 0.00 0.00 0.00 174.94 175.98 2kb5 s SER 17 N 0.68 -0.75 0.23 3.58 0.15 -0.65 -4.17 113.70 112.77 2kb5 s SER 17 Ca -0.06 0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 2kb5 s SER 17 Cb -0.08 1.55 0.26 0.00 -1.71 0.00 0.00 66.02 66.04 2kb5 s SER 17 CO -0.02 -0.14 1.56 -0.07 1.20 0.00 0.00 173.24 175.77 2kb5 h LEU 18 N 7.75 -1.32 -7.38 3.45 3.38 -1.82 -3.10 115.31 116.27 2kb5 h LEU 18 Ca -0.11 0.30 -0.66 0.00 0.09 0.00 0.00 57.88 57.50 2kb5 h LEU 18 Cb 1.17 0.71 -0.39 0.00 0.09 0.00 0.00 40.66 42.25 2kb5 h LEU 18 CO -0.01 -0.30 -0.48 0.20 0.09 0.00 0.00 178.44 177.94 2kb5 s ASN 19 N -5.32 4.85 -0.37 -0.43 0.02 -1.26 -4.64 114.94 107.79 2kb5 s ASN 19 Ca -0.14 -3.19 -0.28 0.00 -1.02 0.00 0.00 52.86 48.23 2kb5 s ASN 19 Cb 0.21 -1.73 -0.01 0.00 0.02 0.00 0.00 41.25 39.73 2kb5 s ASN 19 CO 0.72 -0.24 1.72 -2.16 0.02 0.00 0.00 177.10 177.16 2kb5 s PRO 20 N -0.54 3.34 0.00 -0.60 0.04 -1.17 -5.00 135.00 131.07 2kb5 s PRO 20 Ca 0.19 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2kb5 s PRO 20 Cb -0.19 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2kb5 s PRO 20 CO -0.05 -1.86 0.00 -0.35 0.04 0.00 0.00 177.00 174.78 2kb5 n PRO 21 N 8.41 0.46 -1.85 0.56 -0.04 -1.26 -4.87 135.00 136.41 2kb5 n PRO 21 Ca 0.21 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 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 -0.80 3.57 0.59 0.54 1.81 -1.26 -4.73 118.95 118.67 2kb5 s ARG 22 Ca 0.00 1.92 0.25 0.00 -1.72 0.00 0.00 55.73 56.19 2kb5 s ARG 22 Cb 0.00 -4.20 0.87 0.00 -0.45 0.00 0.00 34.95 31.17 2kb5 s ARG 22 CO 0.00 -1.58 1.24 0.00 -0.68 0.00 0.00 175.30 174.28 2kb5 h THR 24 N 0.00 1.08 0.09 0.00 2.02 -1.87 -3.07 112.91 111.16 2kb5 h THR 24 Ca 0.47 -0.44 -0.35 0.00 0.77 0.00 0.00 66.41 66.87 2kb5 h THR 24 Cb 2.83 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 70.58 2kb5 h THR 24 CO -0.00 0.11 -1.93 -0.38 0.37 0.00 0.00 175.52 173.69 2kb5 n ILE 25 N -5.03 1.73 0.30 3.11 5.41 0.26 -3.98 119.36 121.16 2kb5 n ILE 25 Ca -0.08 -0.70 0.11 0.00 1.00 0.00 0.00 62.75 63.09 2kb5 n ILE 25 Cb 0.14 -1.52 0.60 0.00 -0.71 0.00 0.00 39.64 38.15 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 0.34 1.39 -0.55 -1.39 0.00 -0.59 0.99 119.26 119.46 2kb5 h ALA 26 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2kb5 h ALA 26 Cb 2.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 2kb5 h ALA 26 CO 0.08 -0.39 0.04 0.00 0.00 0.00 0.00 179.25 178.98 2kb5 n MET 27 N -2.64 4.38 0.00 0.00 0.00 -1.16 -4.43 117.12 113.27 2kb5 n MET 27 Ca -0.01 -2.85 0.00 0.00 0.00 0.00 0.00 57.70 54.84 2kb5 n MET 27 Cb 0.45 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.48 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 0.46 0.00 -0.37 3.17 1.74 0.34 -3.28 116.66 118.72 2kb5 n ARG 28 Ca 0.27 0.09 0.32 0.00 -0.77 0.00 0.00 57.85 57.76 2kb5 n ARG 28 Cb 1.14 -0.43 0.64 0.00 -1.02 0.00 0.00 32.46 32.79 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 2.74 -1.28 7.54 0.00 -1.81 -1.27 119.26 123.19 2kb5 h ALA 29 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kb5 h ALA 29 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kb5 h ALA 29 CO 0.00 -1.17 0.00 -0.89 0.00 0.00 0.00 179.25 177.19 2kb5 n ILE 30 N -4.44 0.00 0.08 0.00 -0.00 -1.26 -3.36 119.36 110.38 2kb5 n ILE 30 Ca 0.29 0.75 0.14 0.00 -0.00 0.00 0.00 62.75 63.92 2kb5 n ILE 30 Cb 1.18 -1.52 0.26 0.00 -0.00 0.00 0.00 39.64 39.56 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 -1.48 0.57 115.58 121.40 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 0.15 -3.20 -1.65 0.00 0.00 177.43 172.73 2kb5 n ASN 32 N -2.89 0.22 0.17 5.81 5.15 -0.50 0.07 115.26 123.28 2kb5 n ASN 32 Ca 0.11 0.51 0.05 0.00 -0.60 0.00 0.00 54.58 54.65 2kb5 n ASN 32 Cb 1.20 -0.51 0.18 0.00 -0.53 0.00 0.00 39.78 40.12 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2kb5 h TYR 33 N 0.00 0.00 -4.64 1.20 -0.00 -0.04 -3.47 116.97 110.02 2kb5 h TYR 33 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 58.73 58.26 2kb5 h TYR 33 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 36.91 2kb5 h TYR 33 CO 0.00 0.40 -0.41 2.89 -0.00 0.00 0.00 178.16 181.03 2kb5 n ARG 34 N -3.31 0.54 -0.01 0.10 1.85 0.11 -4.68 116.66 111.27 2kb5 n ARG 34 Ca 0.01 -3.03 0.10 0.00 -1.00 0.00 0.00 57.85 53.93 2kb5 n ARG 34 Cb 0.62 1.88 -0.15 0.00 -1.05 0.00 0.00 32.46 33.76 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 -0.74 0.00 -2.93 2.89 7.02 -1.26 -4.94 117.44 117.48 2kb5 n TRP 35 Ca -0.02 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.26 2kb5 n TRP 35 Cb 0.54 -0.38 0.08 0.00 -2.42 0.00 0.00 31.31 29.13 2kb5 n TRP 35 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2kb5 s ARG 36 N -3.33 2.11 0.20 -0.99 3.00 -1.26 -4.67 118.95 114.01 2kb5 s ARG 36 Ca -0.04 -1.54 0.07 0.00 0.00 0.00 0.00 55.73 54.21 2kb5 s ARG 36 Cb 0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 34.95 32.48 2kb5 s ARG 36 CO 0.86 -1.05 0.07 0.00 0.00 0.00 0.00 175.30 175.18 2kb5 s LYS 38 N -3.30 3.84 0.01 0.00 -0.14 -1.26 -4.99 119.74 113.90 2kb5 s LYS 38 Ca 0.30 0.45 0.24 0.00 -1.36 0.00 0.00 55.97 55.61 2kb5 s LYS 38 Cb -0.09 -2.47 0.37 0.00 -1.68 0.00 0.00 37.83 33.97 2kb5 s LYS 38 CO 0.21 0.10 1.32 -1.71 -0.76 0.00 0.00 175.35 174.52 2kb5 n ASN 39 N -0.79 0.58 -3.60 2.83 4.05 -1.26 -4.39 115.26 112.69 2kb5 n ASN 39 Ca 0.02 -0.35 -0.04 0.00 0.45 0.00 0.00 54.58 54.66 2kb5 n ASN 39 Cb 0.53 0.38 -0.02 0.00 1.23 0.00 0.00 39.78 41.91 2kb5 n ASN 39 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2kb5 s GLN 40 N -3.01 0.30 -0.10 1.20 0.74 -1.26 -2.35 119.66 115.17 2kb5 s GLN 40 Ca 0.10 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.10 2kb5 s GLN 40 Cb 0.17 0.14 0.12 0.00 1.10 0.00 0.00 33.01 34.54 2kb5 s GLN 40 CO 0.73 -0.13 0.96 1.21 -0.55 0.00 0.00 175.29 177.50 2kb5 s ASN 41 N -2.19 -0.37 -0.10 6.67 2.47 -0.18 -4.95 114.94 116.29 2kb5 s ASN 41 Ca 0.10 0.26 -0.03 0.00 0.42 0.00 0.00 52.86 53.60 2kb5 s ASN 41 Cb -0.01 0.33 0.04 0.00 -1.45 0.00 0.00 41.25 40.17 2kb5 s ASN 41 CO -0.05 -0.44 0.07 -0.89 -3.72 0.00 0.00 177.10 172.08 2kb5 s THR 42 N -1.87 -0.10 -0.48 -5.21 2.01 -1.26 0.02 115.64 108.74 2kb5 s THR 42 Ca 0.01 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2kb5 s THR 42 Cb -0.01 -0.33 0.08 0.00 0.01 0.00 0.00 72.50 72.25 2kb5 s THR 42 CO -0.02 -0.01 0.43 -0.36 -0.69 0.00 0.00 174.62 173.97 2kb5 s PHE 43 N 2.16 3.22 -0.14 4.92 0.40 -0.07 -4.12 117.98 124.35 2kb5 s PHE 43 Ca 0.04 -0.92 -0.28 0.00 -0.60 0.00 0.00 56.93 55.17 2kb5 s PHE 43 Cb -0.14 -3.28 -0.01 0.00 0.51 0.00 0.00 43.02 40.11 2kb5 s PHE 43 CO -0.06 -0.85 0.93 -0.51 0.70 0.00 0.00 175.22 175.44 2kb5 s LEU 44 N 1.76 4.20 -1.17 -0.37 1.43 0.71 0.28 118.68 125.52 2kb5 s LEU 44 Ca 0.05 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.30 2kb5 s LEU 44 Cb -0.24 -3.41 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 2kb5 s LEU 44 CO 0.07 -0.45 1.90 0.54 0.23 0.00 0.00 176.35 178.64 2kb5 n ARG 45 N 5.22 2.00 -3.49 1.70 1.74 0.40 -1.64 116.66 122.58 2kb5 n ARG 45 Ca 0.07 -2.58 -0.10 0.00 -0.77 0.00 0.00 57.85 54.47 2kb5 n ARG 45 Cb 0.48 -3.57 -0.02 0.00 -1.02 0.00 0.00 32.46 28.34 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 8.52 0.00 0.56 0.55 -1.32 -1.26 -4.62 115.64 118.07 2kb5 s THR 46 Ca 0.63 -0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.92 2kb5 s THR 46 Cb 0.03 -1.09 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 2kb5 s THR 46 CO 0.11 0.00 0.97 -0.89 -2.21 0.00 0.00 174.62 172.60 2kb5 s THR 47 N -3.44 4.69 0.31 5.08 2.01 -1.26 -4.53 115.64 118.50 2kb5 s THR 47 Ca 0.04 0.87 0.02 0.00 0.31 0.00 0.00 61.69 62.93 2kb5 s THR 47 Cb -0.01 -3.82 0.29 0.00 0.01 0.00 0.00 72.50 68.96 2kb5 s THR 47 CO -0.10 -0.94 1.90 0.15 -0.69 0.00 0.00 174.62 174.94 2kb5 h PHE 48 N 0.19 1.02 -0.60 4.92 3.57 -1.98 -1.82 116.94 122.24 2kb5 h PHE 48 Ca -0.45 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.12 2kb5 h PHE 48 Cb 1.19 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2kb5 h PHE 48 CO 0.64 0.50 0.33 0.00 -2.23 0.00 0.00 178.31 177.55 2kb5 h ALA 49 N 1.53 0.79 0.00 2.41 0.00 -1.99 0.28 119.26 122.28 2kb5 h ALA 49 Ca 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2kb5 h ALA 49 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kb5 h ALA 49 CO -0.17 0.00 -0.03 -0.91 0.00 0.00 0.00 179.25 178.15 2kb5 h ASN 50 N 0.62 0.00 0.07 0.00 2.35 -1.71 -1.88 115.58 115.03 2kb5 h ASN 50 Ca 0.26 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.72 2kb5 h ASN 50 Cb 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2kb5 h ASN 50 CO -0.16 0.03 -1.59 0.58 -1.65 0.00 0.00 177.43 174.63 2kb5 h VAL 51 N 0.00 0.81 -0.41 2.81 2.07 -0.82 -3.35 116.25 117.36 2kb5 h VAL 51 Ca -0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2kb5 h VAL 51 Cb 0.22 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2kb5 h VAL 51 CO 0.00 0.62 0.27 0.58 0.02 0.00 0.00 177.57 179.05 2kb5 h VAL 52 N -0.45 1.11 0.00 2.57 2.07 -0.31 -0.54 116.25 120.70 2kb5 h VAL 52 Ca -0.37 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2kb5 h VAL 52 Cb 1.68 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2kb5 h VAL 52 CO -0.05 0.11 -0.07 -1.13 0.02 0.00 0.00 177.57 176.45 2kb5 h ASN 53 N 0.56 0.00 1.11 0.57 -1.24 -1.51 -2.18 115.58 112.89 2kb5 h ASN 53 Ca 0.15 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.04 2kb5 h ASN 53 Cb -0.05 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 2kb5 h ASN 53 CO -0.03 0.07 -0.57 0.58 -1.29 0.00 0.00 177.43 176.19 2kb5 h VAL 54 N 0.00 1.09 0.00 2.57 2.07 -1.22 -3.05 116.25 117.71 2kb5 h VAL 54 Ca -0.00 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2kb5 h VAL 54 Cb 0.39 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2kb5 h VAL 54 CO 0.01 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.16 2kb5 n GLY 56 N -0.15 1.45 3.97 0.00 0.00 -1.15 -4.93 105.19 104.37 2kb5 n GLY 56 Ca 0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.32 5.84 -0.49 1.61 0.01 -0.78 -4.97 114.94 114.85 2kb5 s ASN 57 Ca 0.38 0.08 -0.37 0.00 -0.71 0.00 0.00 52.86 52.24 2kb5 s ASN 57 Cb 0.21 -1.36 -0.15 0.00 0.41 0.00 0.00 41.25 40.36 2kb5 s ASN 57 CO 0.29 -0.63 2.26 1.67 -1.51 0.00 0.00 177.10 179.17 2kb5 n GLN 58 N -1.93 0.59 -0.99 -0.60 0.00 -1.26 -4.89 117.38 108.29 2kb5 n GLN 58 Ca 0.01 0.14 -0.29 0.00 -0.00 0.00 0.00 57.00 56.86 2kb5 n GLN 58 Cb 0.58 -2.09 0.18 0.00 0.00 0.00 0.00 30.24 28.91 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kb5 s SER 59 N 7.44 2.45 0.34 1.69 1.04 -1.26 -4.68 113.70 120.71 2kb5 s SER 59 Ca 1.16 1.42 -0.07 0.00 0.48 0.00 0.00 55.95 58.93 2kb5 s SER 59 Cb -1.07 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 62.96 2kb5 s SER 59 CO 0.53 -3.27 0.55 0.27 0.98 0.00 0.00 173.24 172.30 2kb5 s ILE 60 N -2.81 0.00 -0.22 -1.02 -4.36 -1.23 -5.01 121.20 106.55 2kb5 s ILE 60 Ca 0.66 -1.42 -0.29 0.00 -0.26 0.00 0.00 60.65 59.33 2kb5 s ILE 60 Cb -0.20 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.88 2kb5 s ILE 60 CO 0.59 0.00 1.33 -0.13 0.24 0.00 0.00 174.94 176.97 2kb5 s ARG 61 N -3.05 4.06 0.52 0.37 0.52 -1.26 -4.55 118.95 115.56 2kb5 s ARG 61 Ca 0.26 1.52 -0.17 0.00 -0.52 0.00 0.00 55.73 56.82 2kb5 s ARG 61 Cb -0.02 -3.85 -0.08 0.00 0.52 0.00 0.00 34.95 31.53 2kb5 s ARG 61 CO 0.16 -0.94 0.99 0.00 0.02 0.00 0.00 175.30 175.54 2kb5 h PRO 63 N 0.88 0.74 0.00 0.00 0.13 -1.95 -2.98 132.00 128.83 2kb5 h PRO 63 Ca -0.47 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2kb5 h PRO 63 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb5 h PRO 63 CO 0.61 1.01 0.00 0.45 -0.23 0.00 0.00 178.00 179.84 2kb5 h HIS 64 N 0.50 0.00 -2.68 1.56 3.86 -1.96 -3.35 115.15 113.07 2kb5 h HIS 64 Ca 0.05 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.66 2kb5 h HIS 64 Cb 0.87 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.94 2kb5 h HIS 64 CO 0.07 0.00 -0.81 -0.80 0.86 0.00 0.00 177.93 177.25 2kb5 s ASN 65 N -5.66 2.86 0.00 2.45 -0.87 -1.13 -4.93 114.94 107.66 2kb5 s ASN 65 Ca 0.02 -3.25 0.17 0.00 -1.57 0.00 0.00 52.86 48.24 2kb5 s ASN 65 Cb 0.08 -0.90 1.03 0.00 -0.02 0.00 0.00 41.25 41.44 2kb5 s ASN 65 CO 0.55 -0.16 1.45 -2.11 -2.57 0.00 0.00 177.10 174.26 2kb5 n ARG 66 N 2.68 0.52 -0.56 -0.60 1.85 -1.18 -2.15 116.66 117.22 2kb5 n ARG 66 Ca 0.23 0.01 0.06 0.00 -1.00 0.00 0.00 57.85 57.15 2kb5 n ARG 66 Cb 0.42 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.43 2kb5 n ARG 66 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2kb5 n THR 67 N -1.02 1.24 -3.51 8.89 5.66 -1.26 -5.00 114.28 119.27 2kb5 n THR 67 Ca 0.13 -1.83 -0.16 0.00 -3.05 0.00 0.00 64.05 59.13 2kb5 n THR 67 Cb 0.07 0.14 -0.05 0.00 -1.55 0.00 0.00 70.33 68.93 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 -1.86 -0.62 -0.51 1.09 2.96 -0.91 -5.10 118.68 113.74 2kb5 s LEU 68 Ca 0.27 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.85 2kb5 s LEU 68 Cb 0.26 2.49 0.27 0.00 0.50 0.00 0.00 46.19 49.71 2kb5 s LEU 68 CO -0.04 -0.64 0.67 -0.46 -1.32 0.00 0.00 176.35 174.57 2kb5 n ASN 69 N 0.71 2.08 -1.23 3.68 6.94 -1.26 -3.58 115.26 122.61 2kb5 n ASN 69 Ca -0.18 -3.12 0.09 0.00 -0.02 0.00 0.00 54.58 51.35 2kb5 n ASN 69 Cb 0.58 -0.64 0.29 0.00 -2.36 0.00 0.00 39.78 37.65 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 0.92 4.03 -4.55 0.53 4.13 -1.26 -4.78 115.26 114.27 2kb5 n ASN 70 Ca 0.26 -2.28 -0.27 0.00 1.68 0.00 0.00 54.58 53.97 2kb5 n ASN 70 Cb 0.48 -0.47 -0.10 0.00 -1.54 0.00 0.00 39.78 38.16 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 -2.95 -0.34 0.10 0.00 0.09 -1.16 -3.54 115.29 107.49 2kb5 s HIS 72 Ca 0.27 0.82 -0.21 0.00 -0.00 0.00 0.00 55.06 55.95 2kb5 s HIS 72 Cb 0.07 0.11 -0.07 0.00 -0.00 0.00 0.00 32.58 32.69 2kb5 s HIS 72 CO 0.13 -0.18 0.62 0.50 -0.00 0.00 0.00 174.74 175.82 2kb5 s ARG 73 N 0.46 4.28 0.39 1.40 3.52 -1.26 -3.56 118.95 124.18 2kb5 s ARG 73 Ca -0.02 0.83 -0.26 0.00 -0.13 0.00 0.00 55.73 56.15 2kb5 s ARG 73 Cb -0.04 -3.21 -0.11 0.00 -1.56 0.00 0.00 34.95 30.03 2kb5 s ARG 73 CO -0.02 0.61 1.24 0.45 -0.81 0.00 0.00 175.30 176.76 2kb5 n SER 74 N 1.60 2.42 0.03 -2.12 2.88 -1.02 -4.91 113.62 112.50 2kb5 n SER 74 Ca -0.09 1.13 -0.17 0.00 -1.33 0.00 0.00 58.87 58.41 2kb5 n SER 74 Cb 0.50 -1.47 -0.14 0.00 -0.75 0.00 0.00 64.21 62.35 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 2.16 0.23 -5.99 -1.46 0.11 -1.94 -3.44 114.38 104.05 2kb5 h ARG 75 Ca -0.47 -0.39 -0.68 0.00 0.10 0.00 0.00 59.98 58.54 2kb5 h ARG 75 Cb 1.30 0.15 -0.18 0.00 1.11 0.00 0.00 29.97 32.34 2kb5 h ARG 75 CO 0.60 1.06 -0.67 -0.06 0.10 0.00 0.00 179.97 181.01 2kb5 s PHE 76 N -2.59 3.01 -0.01 4.08 0.40 -1.26 -5.05 117.98 116.55 2kb5 s PHE 76 Ca -0.13 0.02 -0.30 0.00 -0.60 0.00 0.00 56.93 55.92 2kb5 s PHE 76 Cb 0.07 -1.76 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 2kb5 s PHE 76 CO 0.82 0.32 1.37 1.03 0.70 0.00 0.00 175.22 179.47 2kb5 s ARG 77 N -0.68 4.29 0.11 0.44 0.52 -1.26 -4.64 118.95 117.73 2kb5 s ARG 77 Ca 0.10 1.92 0.06 0.00 -0.52 0.00 0.00 55.73 57.29 2kb5 s ARG 77 Cb -0.11 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 2kb5 s ARG 77 CO 0.02 -0.56 -0.15 0.14 0.02 0.00 0.00 175.30 174.76 2kb5 s VAL 78 N 2.42 1.36 -0.20 3.52 -7.23 -1.17 -4.81 120.40 114.28 2kb5 s VAL 78 Ca 0.63 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.94 2kb5 s VAL 78 Cb -0.30 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2kb5 s VAL 78 CO 0.26 -0.29 1.59 -2.16 -0.31 0.00 0.00 175.10 174.19 2kb5 s PRO 79 N -2.25 3.88 0.35 4.82 0.04 -1.26 -1.82 135.00 138.74 2kb5 s PRO 79 Ca 0.05 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.85 2kb5 s PRO 79 Cb -0.07 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 2kb5 s PRO 79 CO 0.03 -1.19 0.07 -0.48 0.04 0.00 0.00 177.00 175.47 2kb5 s LEU 80 N 4.91 2.14 0.03 -3.56 0.05 0.88 -0.45 118.68 122.68 2kb5 s LEU 80 Ca 0.70 -1.44 0.08 0.00 0.05 0.00 0.00 54.13 53.52 2kb5 s LEU 80 Cb -0.26 -0.34 -0.03 0.00 -2.05 0.00 0.00 46.19 43.52 2kb5 s LEU 80 CO 0.28 -0.68 -0.25 -0.22 -0.55 0.00 0.00 176.35 174.93 2kb5 s LEU 81 N -3.52 2.13 -0.22 1.48 1.98 0.14 -2.30 118.68 118.37 2kb5 s LEU 81 Ca 0.33 -0.54 0.01 0.00 -2.89 0.00 0.00 54.13 51.04 2kb5 s LEU 81 Cb 0.07 -1.22 0.05 0.00 0.66 0.00 0.00 46.19 45.76 2kb5 s LEU 81 CO 0.15 0.25 -0.07 -2.28 -1.89 0.00 0.00 176.35 172.51 2kb5 s HIS 82 N -0.74 2.43 0.16 5.38 5.65 -0.62 -0.89 115.29 126.66 2kb5 s HIS 82 Ca 0.10 -1.71 0.10 0.00 0.25 0.00 0.00 55.06 53.80 2kb5 s HIS 82 Cb -0.10 -1.61 -0.04 0.00 -1.18 0.00 0.00 32.58 29.65 2kb5 s HIS 82 CO 0.01 -0.76 -0.19 0.00 -0.65 0.00 0.00 174.74 173.15 2kb5 s ASP 84 N -2.45 0.37 -0.67 0.00 -1.08 -1.20 -1.01 116.67 110.63 2kb5 s ASP 84 Ca 0.20 -0.40 -0.26 0.00 -0.52 0.00 0.00 52.55 51.57 2kb5 s ASP 84 Cb -0.09 0.06 -0.06 0.00 -1.46 0.00 0.00 42.92 41.36 2kb5 s ASP 84 CO 0.11 -0.20 2.12 -0.22 0.52 0.00 0.00 175.17 177.50 2kb5 s LEU 85 N -1.16 3.22 0.00 -1.34 2.96 -0.99 -0.19 118.68 121.18 2kb5 s LEU 85 Ca -0.11 0.28 0.16 0.00 -0.22 0.00 0.00 54.13 54.24 2kb5 s LEU 85 Cb -0.08 -2.53 0.96 0.00 0.50 0.00 0.00 46.19 45.04 2kb5 s LEU 85 CO -0.00 -2.86 1.37 -0.38 -1.32 0.00 0.00 176.35 173.16 2kb5 n ILE 86 N 7.84 0.00 -3.79 6.68 2.08 -1.00 -4.06 119.36 127.10 2kb5 n ILE 86 Ca 0.34 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.33 2kb5 n ILE 86 Cb 0.50 -0.65 -0.10 0.00 -0.75 0.00 0.00 39.64 38.64 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2kb5 s ASN 87 N -1.93 5.30 -0.28 4.38 2.20 -1.25 -4.97 114.94 118.39 2kb5 s ASN 87 Ca 0.24 -3.79 -0.29 0.00 -0.94 0.00 0.00 52.86 48.08 2kb5 s ASN 87 Cb 0.11 -1.75 -0.02 0.00 -2.00 0.00 0.00 41.25 37.59 2kb5 s ASN 87 CO 0.19 -0.13 1.65 -2.16 -2.94 0.00 0.00 177.10 173.71 2kb5 s PRO 88 N -1.40 3.62 0.00 3.55 0.04 -1.26 -2.27 135.00 137.28 2kb5 s PRO 88 Ca 0.26 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2kb5 s PRO 88 Cb -0.06 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2kb5 s PRO 88 CO -0.15 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2kb5 n GLY 89 N 4.96 0.67 3.68 0.56 0.00 -1.26 -5.06 105.19 108.74 2kb5 n GLY 89 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2kb5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb5 s ALA 90 N -2.13 3.48 -0.61 4.61 0.00 -0.96 -4.99 121.76 121.16 2kb5 s ALA 90 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 51.94 2kb5 s ALA 90 Cb 0.00 -3.04 0.33 0.00 0.00 0.00 0.00 23.12 20.41 2kb5 s ALA 90 CO 0.00 -0.45 0.97 1.04 0.00 0.00 0.00 175.76 177.32 2kb5 n GLN 91 N 4.74 3.29 -3.52 0.00 6.02 -1.26 -4.77 117.38 121.88 2kb5 n GLN 91 Ca 0.00 -4.84 -0.23 0.00 -0.01 0.00 0.00 57.00 51.93 2kb5 n GLN 91 Cb 0.50 -2.25 -0.14 0.00 1.02 0.00 0.00 30.24 29.37 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 -3.27 2.21 0.00 1.08 2.20 -1.26 -4.82 114.94 111.08 2kb5 s ASN 92 Ca 0.48 -0.69 0.01 0.00 -0.94 0.00 0.00 52.86 51.72 2kb5 s ASN 92 Cb 0.26 0.07 0.06 0.00 -2.00 0.00 0.00 41.25 39.64 2kb5 s ASN 92 CO -0.12 -0.37 1.03 2.30 -2.94 0.00 0.00 177.10 177.00 2kb5 n ILE 93 N 5.29 1.88 0.05 0.54 -5.35 -1.26 0.37 119.36 120.87 2kb5 n ILE 93 Ca -0.05 0.47 -0.14 0.00 -0.27 0.00 0.00 62.75 62.75 2kb5 n ILE 93 Cb 0.47 -1.45 -0.14 0.00 -1.74 0.00 0.00 39.64 36.78 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 0.27 0.00 7.28 0.02 -1.98 -3.36 113.55 115.79 2kb5 h SER 94 Ca 0.00 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2kb5 h SER 94 Cb 0.02 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2kb5 h SER 94 CO 0.00 1.33 -0.23 -3.20 -1.14 0.00 0.00 176.83 173.59 2kb5 n ASN 95 N -3.38 1.87 -4.51 3.07 2.85 -0.31 -5.00 115.26 109.85 2kb5 n ASN 95 Ca -0.14 -3.12 -0.43 0.00 -0.11 0.00 0.00 54.58 50.78 2kb5 n ASN 95 Cb 1.03 -0.42 -0.04 0.00 1.24 0.00 0.00 39.78 41.59 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb5 s ARG 97 N 4.09 3.94 0.00 0.00 1.81 -1.26 -4.84 118.95 122.69 2kb5 s ARG 97 Ca 0.30 0.62 0.02 0.00 -1.72 0.00 0.00 55.73 54.94 2kb5 s ARG 97 Cb -0.13 -2.41 -0.01 0.00 -0.45 0.00 0.00 34.95 31.95 2kb5 s ARG 97 CO 0.18 0.10 -0.07 0.71 -0.68 0.00 0.00 175.30 175.54 2kb5 s TYR 98 N -2.10 0.60 0.62 -0.53 1.51 -1.26 -2.38 117.35 113.80 2kb5 s TYR 98 Ca 0.53 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.31 2kb5 s TYR 98 Cb -0.10 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 2kb5 s TYR 98 CO 0.21 -0.02 1.03 0.00 -1.11 0.00 0.00 175.55 175.67 2kb5 s ALA 99 N -0.36 3.04 -0.06 3.71 0.00 0.73 -4.36 121.76 124.47 2kb5 s ALA 99 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2kb5 s ALA 99 Cb -0.04 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.00 2kb5 s ALA 99 CO -0.00 -0.72 -0.12 0.16 0.00 0.00 0.00 175.76 175.07 2kb5 s ASP 100 N -4.04 1.74 -0.26 0.00 -4.77 -1.26 -3.26 116.67 104.82 2kb5 s ASP 100 Ca 0.56 -0.29 -0.01 0.00 -3.30 0.00 0.00 52.55 49.51 2kb5 s ASP 100 Cb -0.11 -0.75 0.14 0.00 -1.09 0.00 0.00 42.92 41.10 2kb5 s ASP 100 CO 0.52 0.05 0.35 -0.60 0.70 0.00 0.00 175.17 176.19 2kb5 s ARG 101 N 0.57 0.34 0.76 2.11 3.52 -0.64 -5.00 118.95 120.60 2kb5 s ARG 101 Ca -0.13 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.60 2kb5 s ARG 101 Cb -0.15 -0.55 0.05 0.00 -1.56 0.00 0.00 34.95 32.74 2kb5 s ARG 101 CO 0.03 -0.84 1.09 -1.25 -0.81 0.00 0.00 175.30 173.53 2kb5 s PRO 102 N 2.48 2.32 0.00 5.12 0.04 -1.26 -1.59 135.00 142.11 2kb5 s PRO 102 Ca 0.10 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2kb5 s PRO 102 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2kb5 s PRO 102 CO -0.23 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.62 2kb5 n GLY 103 N -1.10 1.41 3.03 0.56 0.00 -0.97 -4.90 105.19 103.22 2kb5 n GLY 103 Ca 0.09 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2kb5 n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb5 s ARG 104 N -2.00 1.98 0.20 1.61 0.52 -1.26 -0.09 118.95 119.91 2kb5 s ARG 104 Ca 0.00 -1.34 -0.13 0.00 -0.52 0.00 0.00 55.73 53.74 2kb5 s ARG 104 Cb 0.00 -2.85 0.05 0.00 0.52 0.00 0.00 34.95 32.67 2kb5 s ARG 104 CO 0.00 -0.63 0.65 0.54 0.02 0.00 0.00 175.30 175.88 2kb5 n ARG 105 N 4.47 0.61 -0.51 3.54 1.74 -0.76 -4.74 116.66 121.01 2kb5 n ARG 105 Ca -0.11 -1.28 -0.16 0.00 -0.77 0.00 0.00 57.85 55.53 2kb5 n ARG 105 Cb 0.42 1.66 0.13 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 -0.45 -3.42 -3.68 -1.55 3.72 -1.24 -3.06 117.46 107.78 2kb5 n PHE 106 Ca -0.04 -0.51 -0.11 0.00 -0.05 0.00 0.00 57.45 56.74 2kb5 n PHE 106 Cb 0.41 -0.60 -0.09 0.00 -0.94 0.00 0.00 39.48 38.26 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 -1.99 -0.69 -0.49 1.38 -0.85 -1.26 -1.96 117.35 111.48 2kb5 s TYR 107 Ca 0.37 1.52 -0.16 0.00 -0.52 0.00 0.00 57.07 58.28 2kb5 s TYR 107 Cb -0.04 0.31 0.08 0.00 0.38 0.00 0.00 41.96 42.69 2kb5 s TYR 107 CO 0.28 -0.35 0.47 0.08 -1.52 0.00 0.00 175.55 174.51 2kb5 s VAL 108 N 0.93 5.15 -0.08 -3.49 1.01 0.29 -2.45 120.40 121.76 2kb5 s VAL 108 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2kb5 s VAL 108 Cb -0.06 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2kb5 s VAL 108 CO -0.08 -0.68 -0.17 0.68 0.00 0.00 0.00 175.10 174.84 2kb5 s VAL 109 N 1.87 2.73 -0.54 2.92 -7.23 -1.23 -0.03 120.40 118.88 2kb5 s VAL 109 Ca 0.06 -0.81 -0.26 0.00 -1.81 0.00 0.00 61.98 59.16 2kb5 s VAL 109 Cb -0.24 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.66 2kb5 s VAL 109 CO 0.07 0.56 1.03 0.00 -0.31 0.00 0.00 175.10 176.45 2kb5 s ALA 110 N -0.16 3.12 0.09 1.32 0.00 0.31 -3.00 121.76 123.45 2kb5 s ALA 110 Ca -0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 2kb5 s ALA 110 Cb -0.14 -3.83 -0.07 0.00 0.00 0.00 0.00 23.12 19.09 2kb5 s ALA 110 CO 0.04 -2.42 0.55 0.00 0.00 0.00 0.00 175.76 173.93 2kb5 s ASP 112 N -1.31 -0.07 0.23 0.00 -1.08 -0.32 -4.72 116.67 109.40 2kb5 s ASP 112 Ca 0.32 -0.83 -0.32 0.00 -0.52 0.00 0.00 52.55 51.20 2kb5 s ASP 112 Cb -0.18 0.53 -0.14 0.00 -1.46 0.00 0.00 42.92 41.67 2kb5 s ASP 112 CO 0.19 -1.03 1.42 0.59 0.52 0.00 0.00 175.17 176.86 2kb5 n ASN 113 N -0.31 2.74 -4.81 -0.34 4.13 -1.26 -2.27 115.26 113.12 2kb5 n ASN 113 Ca -0.05 1.13 -0.28 0.00 1.68 0.00 0.00 54.58 57.07 2kb5 n ASN 113 Cb 0.62 -1.42 -0.05 0.00 -1.54 0.00 0.00 39.78 37.40 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 -0.24 2.23 0.13 3.52 1.04 -1.23 -4.90 118.95 119.51 2kb5 s ARG 114 Ca 0.70 -2.08 -0.24 0.00 -1.04 0.00 0.00 55.73 53.07 2kb5 s ARG 114 Cb -0.66 -1.90 -0.07 0.00 -2.04 0.00 0.00 34.95 30.27 2kb5 s ARG 114 CO 0.48 -0.40 0.72 -0.51 -0.04 0.00 0.00 175.30 175.56 2kb5 s ASP 115 N -4.05 7.29 0.00 -2.89 1.01 -1.26 -4.94 116.67 111.83 2kb5 s ASP 115 Ca 0.28 1.53 0.11 0.00 0.71 0.00 0.00 52.55 55.18 2kb5 s ASP 115 Cb 0.01 -2.46 0.64 0.00 1.01 0.00 0.00 42.92 42.12 2kb5 s ASP 115 CO 0.16 0.21 1.08 -0.81 0.21 0.00 0.00 175.17 176.02 2kb5 n PRO 116 N 1.73 0.49 -0.00 8.23 -0.04 -1.26 -1.74 135.00 142.41 2kb5 n PRO 116 Ca -0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.47 2kb5 n PRO 116 Cb 0.49 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.84 1.45 -0.03 0.54 1.85 -1.26 -4.31 116.66 114.05 2kb5 n ARG 117 Ca 0.08 -0.01 -0.07 0.00 -1.00 0.00 0.00 57.85 56.86 2kb5 n ARG 117 Cb 0.04 -1.29 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -1.42 1.06 -3.67 2.89 9.92 -0.76 -4.89 116.55 119.69 2kb5 n ASP 118 Ca 0.03 0.06 -0.27 0.00 -0.53 0.00 0.00 54.79 54.08 2kb5 n ASP 118 Cb 0.27 -0.18 -0.11 0.00 -0.64 0.00 0.00 41.12 40.46 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kb5 n SER 119 N -3.19 2.36 -0.10 -2.24 2.88 -0.71 -4.93 113.62 107.70 2kb5 n SER 119 Ca -0.13 -3.08 -0.13 0.00 -1.33 0.00 0.00 58.87 54.20 2kb5 n SER 119 Cb 0.60 -0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 63.32 2kb5 n SER 119 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2kb5 h PRO 120 N 5.09 0.72 0.30 -1.46 0.13 -1.77 -3.33 132.00 131.67 2kb5 h PRO 120 Ca 0.18 -0.37 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2kb5 h PRO 120 Cb 0.77 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2kb5 h PRO 120 CO 0.66 0.99 -0.15 0.07 -0.23 0.00 0.00 178.00 179.35 2kb5 h ARG 121 N 0.47 -0.39 -6.28 0.86 0.11 -1.94 -3.43 114.38 103.78 2kb5 h ARG 121 Ca 0.05 0.03 -0.56 0.00 0.10 0.00 0.00 59.98 59.60 2kb5 h ARG 121 Cb 0.85 0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.99 2kb5 h ARG 121 CO 0.07 -0.08 0.58 0.71 0.10 0.00 0.00 179.97 181.35 2kb5 s TYR 122 N -3.66 3.46 0.03 4.08 2.02 -1.25 -4.96 117.35 117.08 2kb5 s TYR 122 Ca -0.11 1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 57.90 2kb5 s TYR 122 Cb 0.01 -3.23 -0.15 0.00 -0.40 0.00 0.00 41.96 38.19 2kb5 s TYR 122 CO 0.40 -0.42 1.33 -1.00 -1.57 0.00 0.00 175.55 174.29 2kb5 h PRO 123 N 7.14 0.29 -6.14 -1.71 0.13 -1.84 -3.44 132.00 126.44 2kb5 h PRO 123 Ca -0.32 -0.16 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 2kb5 h PRO 123 Cb 1.15 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 2kb5 h PRO 123 CO 0.85 0.70 -0.64 0.54 -0.23 0.00 0.00 178.00 179.22 2kb5 s VAL 124 N -4.29 3.01 0.01 1.56 0.11 -1.26 -3.54 120.40 115.99 2kb5 s VAL 124 Ca -0.14 -1.98 -0.19 0.00 -2.93 0.00 0.00 61.98 56.73 2kb5 s VAL 124 Cb 0.05 -2.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.17 2kb5 s VAL 124 CO 0.74 -0.31 0.43 0.68 -3.33 0.00 0.00 175.10 173.31 2kb5 s VAL 125 N -2.42 0.05 0.35 2.04 -7.23 -0.96 -4.91 120.40 107.31 2kb5 s VAL 125 Ca 0.33 -0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 59.84 2kb5 s VAL 125 Cb -0.04 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 2kb5 s VAL 125 CO 0.19 -0.21 1.21 -2.16 -0.31 0.00 0.00 175.10 173.83 2kb5 s PRO 126 N -1.93 4.30 0.00 4.82 0.04 -1.26 -1.17 135.00 139.80 2kb5 s PRO 126 Ca -0.09 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2kb5 s PRO 126 Cb -0.02 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2kb5 s PRO 126 CO 0.02 -0.16 0.15 1.33 0.04 0.00 0.00 177.00 178.38 2kb5 n VAL 127 N 0.61 0.00 -3.54 -0.36 0.24 0.38 -4.24 118.33 111.41 2kb5 n VAL 127 Ca 0.01 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 62.00 2kb5 n VAL 127 Cb 0.44 1.62 -0.06 0.00 -1.47 0.00 0.00 33.84 34.37 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 -0.03 -0.55 -0.26 6.34 5.65 -1.25 -4.96 115.29 120.24 2kb5 s HIS 128 Ca 0.00 0.96 0.02 0.00 0.25 0.00 0.00 55.06 56.29 2kb5 s HIS 128 Cb 0.00 0.42 0.06 0.00 -1.18 0.00 0.00 32.58 31.89 2kb5 s HIS 128 CO 0.00 -0.50 -0.07 -1.17 -0.65 0.00 0.00 174.74 172.34 2kb5 s LEU 129 N -1.12 3.25 0.00 8.88 2.96 -1.26 -0.53 118.68 130.86 2kb5 s LEU 129 Ca -0.07 -1.39 -0.24 0.00 -0.22 0.00 0.00 54.13 52.20 2kb5 s LEU 129 Cb -0.00 -1.42 -0.14 0.00 0.50 0.00 0.00 46.19 45.12 2kb5 s LEU 129 CO 0.07 -0.22 1.07 0.44 -1.32 0.00 0.00 176.35 176.38 2kb5 h ASP 130 N 7.82 -0.58 -1.60 3.68 3.32 -0.84 -3.49 116.42 124.73 2kb5 h ASP 130 Ca -0.17 -0.06 0.13 0.00 0.02 0.00 0.00 57.03 56.95 2kb5 h ASP 130 Cb 1.05 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 2kb5 h ASP 130 CO 0.45 -0.19 0.40 1.07 -1.72 0.00 0.00 179.24 179.25 2kb5 n THR 131 N -5.25 0.00 -3.92 0.35 5.66 -1.25 -5.01 114.28 104.86 2kb5 n THR 131 Ca -0.10 -0.26 -0.29 0.00 -3.05 0.00 0.00 64.05 60.35 2kb5 n THR 131 Cb 0.31 0.42 -0.16 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.21 1.33 0.00 1.09 -4.23 -1.26 -0.55 115.64 109.80 2kb5 s THR 132 Ca 0.15 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2kb5 s THR 132 Cb -0.01 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2kb5 s THR 132 CO 0.02 0.03 0.13 -0.38 -0.54 0.00 0.00 174.62 173.88