#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb5 s PRO 2 N 0.00 0.37 0.00 2.89 0.04 -1.26 -4.91 135.00 132.14 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 0.82 0.00 0.04 0.00 0.00 34.50 33.63 2kb5 s PRO 2 CO 0.00 -2.77 1.38 -0.35 0.04 0.00 0.00 177.00 175.30 2kb5 n PRO 3 N -4.20 0.32 0.01 0.56 -0.04 -1.26 -1.97 135.00 128.42 2kb5 n PRO 3 Ca 0.05 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2kb5 n PRO 3 Cb 0.57 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.64 2kb5 n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb5 n GLN 4 N -1.17 0.11 -3.79 0.54 10.64 -1.26 -4.84 117.38 117.61 2kb5 n GLN 4 Ca 0.09 0.01 -0.19 0.00 -1.83 0.00 0.00 57.00 55.07 2kb5 n GLN 4 Cb 0.09 -1.54 -0.17 0.00 -0.86 0.00 0.00 30.24 27.76 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2kb5 s PHE 5 N -3.07 0.29 0.55 2.61 0.08 -0.83 -5.07 117.98 112.54 2kb5 s PHE 5 Ca 0.08 0.06 -0.09 0.00 0.12 0.00 0.00 56.93 57.10 2kb5 s PHE 5 Cb 0.16 -0.51 0.14 0.00 -0.57 0.00 0.00 43.02 42.24 2kb5 s PHE 5 CO 0.76 -0.19 0.42 0.25 -0.10 0.00 0.00 175.22 176.36 2kb5 n THR 6 N 4.77 0.00 0.07 0.64 -2.24 -1.26 -4.34 114.28 111.92 2kb5 n THR 6 Ca -0.14 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 2kb5 n THR 6 Cb 0.50 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 2kb5 n THR 6 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2kb5 h ARG 7 N 0.00 0.31 0.00 -0.78 2.43 -1.97 -3.02 114.38 111.35 2kb5 h ARG 7 Ca -0.17 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2kb5 h ARG 7 Cb 0.54 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2kb5 h ARG 7 CO 0.11 0.97 -0.31 0.00 -1.51 0.00 0.00 179.97 179.23 2kb5 n ALA 8 N -2.49 0.27 -0.24 2.80 0.00 -1.26 -3.15 120.51 116.43 2kb5 n ALA 8 Ca -0.04 -0.31 0.32 0.00 0.00 0.00 0.00 53.44 53.41 2kb5 n ALA 8 Cb 0.76 0.01 0.62 0.00 0.00 0.00 0.00 19.45 20.84 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 -0.59 0.00 0.01 0.00 -0.00 -1.88 1.73 115.11 114.38 2kb5 h GLN 9 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.39 2kb5 h GLN 9 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.75 2kb5 h GLN 9 CO 0.00 0.00 -1.43 2.35 -0.00 0.00 0.00 178.83 179.75 2kb5 h TRP 10 N 0.00 0.03 0.12 0.06 -0.00 -1.70 -3.17 115.95 111.30 2kb5 h TRP 10 Ca 0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.37 2kb5 h TRP 10 Cb 2.55 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.71 2kb5 h TRP 10 CO 0.00 1.03 -0.06 0.35 -0.00 0.00 0.00 178.44 179.76 2kb5 h PHE 11 N 0.00 -0.16 0.00 2.65 3.04 0.27 -2.80 116.94 119.94 2kb5 h PHE 11 Ca -0.18 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.71 2kb5 h PHE 11 Cb 1.92 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 40.48 2kb5 h PHE 11 CO 0.00 0.04 -0.25 0.00 -2.02 0.00 0.00 178.31 176.09 2kb5 h ALA 12 N 0.52 1.29 -0.87 2.41 0.00 -1.58 0.27 119.26 121.30 2kb5 h ALA 12 Ca -0.02 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.81 2kb5 h ALA 12 Cb 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2kb5 h ALA 12 CO 0.03 0.31 0.46 0.82 0.00 0.00 0.00 179.25 180.87 2kb5 h ILE 13 N 0.00 0.74 0.00 0.00 1.08 -1.46 3.07 117.51 120.94 2kb5 h ILE 13 Ca -0.00 -0.22 -0.27 0.00 -0.39 0.00 0.00 64.86 63.97 2kb5 h ILE 13 Cb 0.55 0.03 -0.05 0.00 -3.07 0.00 0.00 36.82 34.28 2kb5 h ILE 13 CO 0.03 0.12 -2.06 0.00 -0.69 0.00 0.00 178.15 175.55 2kb5 n GLN 14 N -4.85 1.41 0.00 2.37 10.64 -1.12 -4.38 117.38 121.45 2kb5 n GLN 14 Ca 0.17 -0.01 0.13 0.00 -1.83 0.00 0.00 57.00 55.46 2kb5 n GLN 14 Cb 0.44 -1.40 0.38 0.00 -0.86 0.00 0.00 30.24 28.79 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 -2.56 0.00 -3.78 2.61 8.25 0.94 -3.90 115.22 116.78 2kb5 n HIS 15 Ca -0.25 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.07 2kb5 n HIS 15 Cb 0.98 -0.15 -0.16 0.00 1.12 0.00 0.00 29.99 31.79 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 -2.59 -0.05 -0.30 1.59 1.01 1.02 -1.00 121.20 120.88 2kb5 s ILE 16 Ca 0.22 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2kb5 s ILE 16 Cb 0.19 -0.09 0.18 0.00 0.01 0.00 0.00 42.46 42.75 2kb5 s ILE 16 CO 0.55 0.08 0.97 -0.94 0.00 0.00 0.00 174.94 175.59 2kb5 s SER 17 N 0.96 -0.64 0.23 3.58 1.04 -0.83 -4.19 113.70 113.85 2kb5 s SER 17 Ca -0.08 0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 2kb5 s SER 17 Cb -0.11 1.47 0.25 0.00 0.10 0.00 0.00 66.02 67.73 2kb5 s SER 17 CO -0.03 -0.12 1.56 -0.07 0.98 0.00 0.00 173.24 175.56 2kb5 h LEU 18 N 7.74 -1.32 -7.35 2.42 3.38 -1.80 -3.13 115.31 115.24 2kb5 h LEU 18 Ca -0.11 0.30 -0.65 0.00 0.09 0.00 0.00 57.88 57.50 2kb5 h LEU 18 Cb 1.17 0.71 -0.40 0.00 0.09 0.00 0.00 40.66 42.24 2kb5 h LEU 18 CO -0.04 -0.29 -0.54 0.20 0.09 0.00 0.00 178.44 177.85 2kb5 s ASN 19 N -5.32 4.67 -0.36 -0.43 0.01 -1.26 -4.58 114.94 107.67 2kb5 s ASN 19 Ca -0.14 -3.19 -0.28 0.00 -0.71 0.00 0.00 52.86 48.54 2kb5 s ASN 19 Cb 0.21 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 2kb5 s ASN 19 CO 0.72 -0.23 1.71 -2.16 -1.51 0.00 0.00 177.10 175.63 2kb5 s PRO 20 N -0.54 3.36 0.00 -0.60 0.04 -1.18 -5.00 135.00 131.08 2kb5 s PRO 20 Ca 0.19 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2kb5 s PRO 20 Cb -0.20 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2kb5 s PRO 20 CO -0.04 -1.83 0.00 -0.35 0.04 0.00 0.00 177.00 174.81 2kb5 n PRO 21 N 8.39 0.42 -1.83 0.56 -0.04 -1.26 -4.86 135.00 136.38 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 -0.86 3.27 0.44 0.54 1.81 -1.26 -4.73 118.95 118.16 2kb5 s ARG 22 Ca 0.00 1.71 0.40 0.00 -1.72 0.00 0.00 55.73 56.13 2kb5 s ARG 22 Cb 0.00 -4.27 1.39 0.00 -0.45 0.00 0.00 34.95 31.62 2kb5 s ARG 22 CO 0.00 -1.94 1.25 0.00 -0.68 0.00 0.00 175.30 173.93 2kb5 h THR 24 N 0.00 0.72 0.07 0.00 2.02 -1.87 -2.66 112.91 111.19 2kb5 h THR 24 Ca 0.76 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 67.62 2kb5 h THR 24 Cb 3.03 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 70.13 2kb5 h THR 24 CO -0.02 0.00 -1.77 0.40 0.37 0.00 0.00 175.52 174.50 2kb5 h ILE 25 N -0.32 0.84 0.00 3.11 2.04 0.49 -3.33 117.51 120.34 2kb5 h ILE 25 Ca -0.01 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2kb5 h ILE 25 Cb 0.28 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2kb5 h ILE 25 CO 0.00 0.72 0.20 0.00 0.00 0.00 0.00 178.15 179.07 2kb5 h ALA 26 N 0.54 1.16 -0.38 1.87 0.00 -0.54 0.56 119.26 122.47 2kb5 h ALA 26 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2kb5 h ALA 26 Cb 2.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2kb5 h ALA 26 CO 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 179.25 179.20 2kb5 n MET 27 N -2.42 3.51 -0.10 0.00 0.00 -1.00 -4.42 117.12 112.68 2kb5 n MET 27 Ca -0.02 -2.97 -0.20 0.00 0.00 0.00 0.00 57.70 54.52 2kb5 n MET 27 Cb 0.23 -1.99 -0.11 0.00 0.00 0.00 0.00 33.22 31.36 2kb5 n MET 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2kb5 h ARG 28 N 2.46 0.00 0.00 3.17 0.11 -0.03 -3.19 114.38 116.90 2kb5 h ARG 28 Ca 0.02 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.97 2kb5 h ARG 28 Cb 1.66 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.72 2kb5 h ARG 28 CO 0.34 0.89 -0.65 0.00 0.10 0.00 0.00 179.97 180.65 2kb5 h ALA 29 N -0.53 0.88 -0.80 0.08 0.00 -1.80 -3.10 119.26 113.99 2kb5 h ALA 29 Ca -0.30 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2kb5 h ALA 29 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kb5 h ALA 29 CO -0.18 0.81 0.00 -0.89 0.00 0.00 0.00 179.25 178.99 2kb5 n ILE 30 N -3.70 0.00 0.15 0.00 2.08 -1.26 -3.51 119.36 113.12 2kb5 n ILE 30 Ca -0.01 0.70 0.12 0.00 0.56 0.00 0.00 62.75 64.13 2kb5 n ILE 30 Cb 0.66 -1.52 0.31 0.00 -0.75 0.00 0.00 39.64 38.33 2kb5 n ILE 30 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2kb5 h ASN 31 N 0.00 0.00 0.00 4.38 2.35 -1.71 0.60 115.58 121.21 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 0.05 -3.20 -1.65 0.00 0.00 177.43 172.63 2kb5 n ASN 32 N -2.87 0.02 0.25 5.81 2.85 -1.17 -0.72 115.26 119.42 2kb5 n ASN 32 Ca 0.07 0.46 0.16 0.00 -0.11 0.00 0.00 54.58 55.16 2kb5 n ASN 32 Cb 1.04 -0.46 0.57 0.00 1.24 0.00 0.00 39.78 42.16 2kb5 n ASN 32 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2kb5 h TYR 33 N 0.00 0.00 -3.76 1.20 -0.00 0.03 -3.46 116.97 110.98 2kb5 h TYR 33 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.49 2kb5 h TYR 33 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.77 2kb5 h TYR 33 CO 0.00 0.00 -0.12 0.54 -0.00 0.00 0.00 178.16 178.58 2kb5 n ARG 34 N -3.01 0.64 -0.44 0.10 5.12 0.10 -2.75 116.66 116.42 2kb5 n ARG 34 Ca 0.01 -2.47 0.10 0.00 -1.93 0.00 0.00 57.85 53.56 2kb5 n ARG 34 Cb 0.35 2.40 0.30 0.00 -1.16 0.00 0.00 32.46 34.35 2kb5 n ARG 34 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 2kb5 n TRP 35 N -0.51 1.10 -4.40 -1.55 -0.00 -1.26 -4.94 117.44 105.87 2kb5 n TRP 35 Ca 0.00 -0.57 -0.26 0.00 -0.00 0.00 0.00 57.50 56.68 2kb5 n TRP 35 Cb 0.52 -0.12 -0.10 0.00 -0.00 0.00 0.00 31.31 31.60 2kb5 n TRP 35 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2kb5 s ARG 36 N -1.46 1.73 0.24 5.87 3.52 -1.26 -4.86 118.95 122.74 2kb5 s ARG 36 Ca 0.45 -1.54 -0.01 0.00 -0.13 0.00 0.00 55.73 54.50 2kb5 s ARG 36 Cb 0.27 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.70 2kb5 s ARG 36 CO 0.25 0.38 0.44 0.00 -0.81 0.00 0.00 175.30 175.57 2kb5 s LYS 38 N -3.53 3.71 0.07 0.00 -0.14 -1.26 -4.99 119.74 113.60 2kb5 s LYS 38 Ca 0.40 0.12 0.25 0.00 -1.36 0.00 0.00 55.97 55.38 2kb5 s LYS 38 Cb -0.11 -2.67 0.53 0.00 -1.68 0.00 0.00 37.83 33.90 2kb5 s LYS 38 CO 0.30 0.29 1.45 -1.71 -0.76 0.00 0.00 175.35 174.92 2kb5 n ASN 39 N -0.44 0.56 -3.60 2.83 2.85 -1.26 -4.57 115.26 111.62 2kb5 n ASN 39 Ca -0.01 0.06 -0.04 0.00 -0.11 0.00 0.00 54.58 54.48 2kb5 n ASN 39 Cb 0.53 0.06 -0.02 0.00 1.24 0.00 0.00 39.78 41.59 2kb5 n ASN 39 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2kb5 s GLN 40 N -3.08 0.30 -0.28 1.20 0.74 -1.26 -0.88 119.66 116.39 2kb5 s GLN 40 Ca 0.09 -0.11 -0.20 0.00 0.05 0.00 0.00 55.36 55.19 2kb5 s GLN 40 Cb 0.15 0.14 0.10 0.00 1.10 0.00 0.00 33.01 34.50 2kb5 s GLN 40 CO 0.68 -0.13 0.83 1.21 -0.55 0.00 0.00 175.29 177.33 2kb5 s ASN 41 N -2.17 -0.70 -0.16 6.67 3.04 -0.26 -4.93 114.94 116.43 2kb5 s ASN 41 Ca 0.09 1.22 0.00 0.00 0.04 0.00 0.00 52.86 54.22 2kb5 s ASN 41 Cb -0.01 1.26 0.03 0.00 -1.54 0.00 0.00 41.25 41.00 2kb5 s ASN 41 CO -0.05 -0.20 -0.12 -0.89 -3.04 0.00 0.00 177.10 172.80 2kb5 s THR 42 N 0.94 1.54 -0.47 -5.21 2.01 -1.26 -0.36 115.64 112.83 2kb5 s THR 42 Ca -0.04 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.06 2kb5 s THR 42 Cb -0.05 -1.52 0.07 0.00 0.01 0.00 0.00 72.50 71.01 2kb5 s THR 42 CO -0.10 0.33 0.38 -0.36 -0.69 0.00 0.00 174.62 174.18 2kb5 s PHE 43 N 1.48 3.25 -0.20 4.92 0.40 -0.89 -4.12 117.98 122.82 2kb5 s PHE 43 Ca 0.03 -0.95 -0.29 0.00 -0.60 0.00 0.00 56.93 55.11 2kb5 s PHE 43 Cb -0.14 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.26 2kb5 s PHE 43 CO -0.10 -0.79 1.04 -0.51 0.70 0.00 0.00 175.22 175.56 2kb5 s LEU 44 N 1.63 4.13 -1.12 -0.37 1.43 -0.17 -0.71 118.68 123.50 2kb5 s LEU 44 Ca 0.04 1.42 -0.23 0.00 -1.03 0.00 0.00 54.13 54.33 2kb5 s LEU 44 Cb -0.24 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.33 2kb5 s LEU 44 CO 0.06 -0.63 1.93 0.54 0.23 0.00 0.00 176.35 178.49 2kb5 n ARG 45 N 6.06 1.53 -3.50 1.70 1.74 -0.00 -1.97 116.66 122.22 2kb5 n ARG 45 Ca 0.11 -2.35 -0.10 0.00 -0.77 0.00 0.00 57.85 54.75 2kb5 n ARG 45 Cb 0.46 -3.62 -0.02 0.00 -1.02 0.00 0.00 32.46 28.27 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 10.38 0.00 0.56 0.55 -1.32 -1.26 -4.65 115.64 119.89 2kb5 s THR 46 Ca 0.67 -0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.95 2kb5 s THR 46 Cb 0.01 -1.10 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 2kb5 s THR 46 CO 0.14 0.00 0.97 -0.89 -2.21 0.00 0.00 174.62 172.63 2kb5 s THR 47 N -3.44 4.69 0.31 5.08 2.01 -1.26 -4.44 115.64 118.59 2kb5 s THR 47 Ca 0.04 0.88 0.02 0.00 0.31 0.00 0.00 61.69 62.94 2kb5 s THR 47 Cb -0.01 -3.82 0.29 0.00 0.01 0.00 0.00 72.50 68.97 2kb5 s THR 47 CO -0.09 -0.93 1.91 0.15 -0.69 0.00 0.00 174.62 174.96 2kb5 h PHE 48 N 0.22 1.01 -0.53 4.92 3.57 -1.99 -1.92 116.94 122.23 2kb5 h PHE 48 Ca -0.45 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.12 2kb5 h PHE 48 Cb 1.19 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 2kb5 h PHE 48 CO 0.64 0.50 0.28 0.00 -2.23 0.00 0.00 178.31 177.51 2kb5 h ALA 49 N 1.53 0.69 0.00 2.41 0.00 -1.98 0.26 119.26 122.16 2kb5 h ALA 49 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2kb5 h ALA 49 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kb5 h ALA 49 CO -0.16 -0.05 -0.03 -0.91 0.00 0.00 0.00 179.25 178.10 2kb5 h ASN 50 N 0.55 0.00 0.00 0.00 2.35 -1.73 -1.17 115.58 115.57 2kb5 h ASN 50 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2kb5 h ASN 50 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2kb5 h ASN 50 CO -0.15 0.03 -0.38 0.58 -1.65 0.00 0.00 177.43 175.86 2kb5 h VAL 51 N 0.00 0.00 -0.64 2.81 2.07 -0.86 -3.33 116.25 116.30 2kb5 h VAL 51 Ca -0.00 -0.91 0.19 0.00 0.82 0.00 0.00 66.70 66.80 2kb5 h VAL 51 Cb 0.20 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2kb5 h VAL 51 CO 0.00 0.00 0.50 0.58 0.02 0.00 0.00 177.57 178.67 2kb5 h VAL 52 N -0.91 0.57 0.00 2.57 2.07 -0.57 0.37 116.25 120.35 2kb5 h VAL 52 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2kb5 h VAL 52 Cb 0.38 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2kb5 h VAL 52 CO 0.00 0.00 -0.43 -1.13 0.02 0.00 0.00 177.57 176.03 2kb5 h ASN 53 N 0.00 0.00 -0.03 0.57 -1.24 -1.38 -2.82 115.58 110.68 2kb5 h ASN 53 Ca 0.30 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.26 2kb5 h ASN 53 Cb 1.30 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.34 2kb5 h ASN 53 CO -0.00 0.43 -0.13 0.58 -1.29 0.00 0.00 177.43 177.02 2kb5 h VAL 54 N 0.00 1.20 0.00 2.57 2.07 -0.36 -1.74 116.25 119.99 2kb5 h VAL 54 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2kb5 h VAL 54 Cb 0.79 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2kb5 h VAL 54 CO 0.06 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.92 2kb5 n GLY 56 N -0.84 -1.19 3.91 0.00 0.00 -0.65 -4.90 105.19 101.51 2kb5 n GLY 56 Ca 0.02 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.30 5.50 -0.59 1.61 2.20 -0.22 -4.91 114.94 115.22 2kb5 s ASN 57 Ca 0.08 0.81 -0.35 0.00 -0.94 0.00 0.00 52.86 52.46 2kb5 s ASN 57 Cb 0.16 -1.73 -0.16 0.00 -2.00 0.00 0.00 41.25 37.53 2kb5 s ASN 57 CO 0.77 -1.17 2.36 1.67 -2.94 0.00 0.00 177.10 177.78 2kb5 n GLN 58 N -2.72 0.50 -0.99 3.55 -0.06 -1.26 -4.89 117.38 111.51 2kb5 n GLN 58 Ca 0.05 0.10 -0.29 0.00 -2.00 0.00 0.00 57.00 54.86 2kb5 n GLN 58 Cb 0.58 -2.09 0.19 0.00 -4.06 0.00 0.00 30.24 24.85 2kb5 n GLN 58 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2kb5 s SER 59 N 8.16 2.43 0.27 1.69 0.15 -1.26 -4.72 113.70 120.41 2kb5 s SER 59 Ca 1.18 1.41 -0.09 0.00 0.70 0.00 0.00 55.95 59.16 2kb5 s SER 59 Cb -1.03 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 61.17 2kb5 s SER 59 CO 0.50 -3.28 0.43 0.27 1.20 0.00 0.00 173.24 172.36 2kb5 s ILE 60 N -2.81 0.00 -0.27 6.45 -4.36 -1.07 -5.01 121.20 114.13 2kb5 s ILE 60 Ca 0.66 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 59.22 2kb5 s ILE 60 Cb -0.20 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.15 2kb5 s ILE 60 CO 0.59 0.00 1.04 0.00 0.24 0.00 0.00 174.94 176.81 2kb5 s ARG 61 N -3.77 4.16 0.46 0.37 1.70 -1.26 -4.37 118.95 116.25 2kb5 s ARG 61 Ca 0.27 1.19 -0.24 0.00 -0.47 0.00 0.00 55.73 56.48 2kb5 s ARG 61 Cb 0.00 -3.68 -0.07 0.00 -0.57 0.00 0.00 34.95 30.63 2kb5 s ARG 61 CO 0.12 -0.74 1.32 0.00 -1.08 0.00 0.00 175.30 174.92 2kb5 h PRO 63 N 2.15 0.00 0.00 0.00 0.13 -1.95 -2.77 132.00 129.57 2kb5 h PRO 63 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2kb5 h PRO 63 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2kb5 h PRO 63 CO 0.60 0.36 -0.22 1.25 -0.23 0.00 0.00 178.00 179.76 2kb5 h HIS 64 N 0.00 0.00 -2.62 1.56 2.76 -1.95 -3.40 115.15 111.50 2kb5 h HIS 64 Ca -0.00 0.00 -0.41 0.00 -2.20 0.00 0.00 60.37 57.76 2kb5 h HIS 64 Cb 0.76 0.00 -0.37 0.00 1.55 0.00 0.00 27.41 29.35 2kb5 h HIS 64 CO 0.00 0.22 -0.69 -0.80 -1.30 0.00 0.00 177.93 175.35 2kb5 s ASN 65 N -6.17 2.21 0.00 3.26 0.01 -1.04 -4.98 114.94 108.22 2kb5 s ASN 65 Ca 0.01 -0.70 0.13 0.00 -0.71 0.00 0.00 52.86 51.60 2kb5 s ASN 65 Cb 0.10 0.09 0.80 0.00 0.41 0.00 0.00 41.25 42.65 2kb5 s ASN 65 CO 0.64 -0.37 1.32 -2.11 -1.51 0.00 0.00 177.10 175.07 2kb5 n ARG 66 N 5.29 0.72 -2.45 -0.60 1.85 -1.25 -3.01 116.66 117.22 2kb5 n ARG 66 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.66 2kb5 n ARG 66 Cb 0.47 -1.29 0.03 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.79 1.88 -3.67 8.89 5.66 -1.26 -5.03 114.28 119.96 2kb5 n THR 67 Ca 0.10 -3.68 -0.08 0.00 -3.05 0.00 0.00 64.05 57.33 2kb5 n THR 67 Cb 0.05 -0.04 -0.09 0.00 -1.55 0.00 0.00 70.33 68.70 2kb5 n THR 67 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2kb5 s LEU 68 N -3.63 -0.49 -0.53 1.09 1.43 -1.16 -5.08 118.68 110.30 2kb5 s LEU 68 Ca 0.39 1.11 0.07 0.00 -1.03 0.00 0.00 54.13 54.67 2kb5 s LEU 68 Cb 0.38 1.65 0.27 0.00 0.03 0.00 0.00 46.19 48.52 2kb5 s LEU 68 CO -0.02 -0.21 0.69 -0.46 0.23 0.00 0.00 176.35 176.58 2kb5 n ASN 69 N 4.63 2.46 0.00 2.29 0.23 -1.26 -3.43 115.26 120.19 2kb5 n ASN 69 Ca -0.18 -3.19 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 2kb5 n ASN 69 Cb 0.54 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 2kb5 n ASN 69 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2kb5 n ASN 70 N 0.88 0.69 -4.35 0.53 0.23 -1.26 -4.94 115.26 107.03 2kb5 n ASN 70 Ca 0.27 -1.33 -0.25 0.00 -0.53 0.00 0.00 54.58 52.74 2kb5 n ASN 70 Cb 0.46 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.04 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb5 s HIS 72 N -1.58 2.02 -0.14 0.00 3.76 -1.20 -2.59 115.29 115.56 2kb5 s HIS 72 Ca 0.14 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2kb5 s HIS 72 Cb -0.08 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 2kb5 s HIS 72 CO 0.07 0.37 -0.12 0.50 -0.85 0.00 0.00 174.74 174.71 2kb5 s ARG 73 N -3.68 3.40 0.01 1.40 3.52 -1.26 -2.77 118.95 119.57 2kb5 s ARG 73 Ca 0.29 -0.67 -0.37 0.00 -0.13 0.00 0.00 55.73 54.84 2kb5 s ARG 73 Cb 0.02 -2.67 -0.17 0.00 -1.56 0.00 0.00 34.95 30.57 2kb5 s ARG 73 CO 0.12 0.18 1.42 0.45 -0.81 0.00 0.00 175.30 176.66 2kb5 n SER 74 N 3.63 1.79 0.06 -2.12 2.88 -0.79 -4.86 113.62 114.21 2kb5 n SER 74 Ca -0.18 1.11 -0.08 0.00 -1.33 0.00 0.00 58.87 58.39 2kb5 n SER 74 Cb 0.52 -1.18 -0.12 0.00 -0.75 0.00 0.00 64.21 62.68 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 5.09 0.04 -5.91 -1.46 0.11 -1.93 -3.42 114.38 106.90 2kb5 h ARG 75 Ca -0.47 -0.07 -0.68 0.00 0.10 0.00 0.00 59.98 58.86 2kb5 h ARG 75 Cb 1.33 0.03 -0.14 0.00 1.11 0.00 0.00 29.97 32.30 2kb5 h ARG 75 CO 0.81 1.02 -0.60 -0.06 0.10 0.00 0.00 179.97 181.24 2kb5 s PHE 76 N -2.70 3.21 0.05 4.08 0.08 -1.26 -5.07 117.98 116.38 2kb5 s PHE 76 Ca 0.00 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.97 2kb5 s PHE 76 Cb 0.10 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2kb5 s PHE 76 CO 0.83 0.48 1.07 1.03 -0.10 0.00 0.00 175.22 178.54 2kb5 s ARG 77 N -0.84 4.53 0.06 0.44 0.52 -1.26 -4.61 118.95 117.78 2kb5 s ARG 77 Ca 0.13 1.59 0.03 0.00 -0.52 0.00 0.00 55.73 56.95 2kb5 s ARG 77 Cb -0.11 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 2kb5 s ARG 77 CO 0.02 -0.09 -0.09 0.14 0.02 0.00 0.00 175.30 175.30 2kb5 s VAL 78 N 0.78 0.71 -0.20 3.52 -7.23 -1.14 -4.86 120.40 111.98 2kb5 s VAL 78 Ca 0.54 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.19 2kb5 s VAL 78 Cb -0.25 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.82 2kb5 s VAL 78 CO 0.29 -0.39 1.60 -2.16 -0.31 0.00 0.00 175.10 174.13 2kb5 s PRO 79 N -1.84 3.86 0.47 4.82 0.04 -1.26 -0.97 135.00 140.12 2kb5 s PRO 79 Ca -0.06 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.75 2kb5 s PRO 79 Cb -0.09 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2kb5 s PRO 79 CO 0.00 -1.21 0.15 -0.48 0.04 0.00 0.00 177.00 175.50 2kb5 s LEU 80 N 4.97 2.74 0.04 -3.56 0.05 0.17 -0.82 118.68 122.27 2kb5 s LEU 80 Ca 0.71 -1.33 0.08 0.00 0.05 0.00 0.00 54.13 53.63 2kb5 s LEU 80 Cb -0.26 -1.09 -0.03 0.00 -2.05 0.00 0.00 46.19 42.77 2kb5 s LEU 80 CO 0.28 -0.74 -0.22 -0.22 -0.55 0.00 0.00 176.35 174.90 2kb5 s LEU 81 N -3.94 2.15 -0.19 1.48 1.98 0.11 -2.05 118.68 118.22 2kb5 s LEU 81 Ca 0.28 -0.53 -0.01 0.00 -2.89 0.00 0.00 54.13 50.98 2kb5 s LEU 81 Cb 0.03 -1.07 0.01 0.00 0.66 0.00 0.00 46.19 45.82 2kb5 s LEU 81 CO 0.16 0.20 -0.13 -1.00 -1.89 0.00 0.00 176.35 173.68 2kb5 s HIS 82 N -0.77 2.85 -0.49 5.38 3.76 -0.14 -2.09 115.29 123.79 2kb5 s HIS 82 Ca 0.09 -1.32 0.04 0.00 -0.15 0.00 0.00 55.06 53.72 2kb5 s HIS 82 Cb -0.09 -1.99 0.16 0.00 1.11 0.00 0.00 32.58 31.78 2kb5 s HIS 82 CO 0.02 -0.68 0.36 0.00 -0.85 0.00 0.00 174.74 173.59 2kb5 s ASP 84 N -0.28 6.85 -0.34 0.00 -4.77 -1.17 -1.10 116.67 115.85 2kb5 s ASP 84 Ca 0.28 1.40 -0.28 0.00 -3.30 0.00 0.00 52.55 50.65 2kb5 s ASP 84 Cb -0.03 -2.42 -0.03 0.00 -1.09 0.00 0.00 42.92 39.35 2kb5 s ASP 84 CO -0.15 -0.22 1.89 -0.22 0.70 0.00 0.00 175.17 177.17 2kb5 s LEU 85 N -2.93 3.47 0.00 2.11 2.96 -0.06 -0.52 118.68 123.71 2kb5 s LEU 85 Ca 0.55 1.30 0.09 0.00 -0.22 0.00 0.00 54.13 55.85 2kb5 s LEU 85 Cb -0.11 -3.38 0.55 0.00 0.50 0.00 0.00 46.19 43.75 2kb5 s LEU 85 CO 0.17 -1.85 1.23 -0.38 -1.32 0.00 0.00 176.35 174.20 2kb5 n ILE 86 N 7.47 0.00 -3.53 6.68 5.41 -1.07 -4.16 119.36 130.16 2kb5 n ILE 86 Ca 0.24 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.72 2kb5 n ILE 86 Cb 0.47 -0.25 -0.11 0.00 -0.71 0.00 0.00 39.64 39.05 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 -1.44 2.41 -0.19 4.38 2.20 -1.26 -5.01 114.94 116.04 2kb5 s ASN 87 Ca 0.14 -3.17 -0.29 0.00 -0.94 0.00 0.00 52.86 48.60 2kb5 s ASN 87 Cb 0.06 -0.74 -0.03 0.00 -2.00 0.00 0.00 41.25 38.55 2kb5 s ASN 87 CO 0.11 -0.16 1.59 -2.16 -2.94 0.00 0.00 177.10 173.53 2kb5 s PRO 88 N -0.21 3.90 0.00 3.55 0.04 -1.26 -2.41 135.00 138.62 2kb5 s PRO 88 Ca 0.29 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2kb5 s PRO 88 Cb -0.01 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2kb5 s PRO 88 CO -0.17 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.12 2kb5 n GLY 89 N 4.47 0.55 3.83 0.56 0.00 -1.26 -5.08 105.19 108.26 2kb5 n GLY 89 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2kb5 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb5 s ALA 90 N -2.00 3.76 -0.51 4.61 0.00 -1.01 -5.03 121.76 121.57 2kb5 s ALA 90 Ca 0.00 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.59 2kb5 s ALA 90 Cb 0.00 -2.21 0.29 0.00 0.00 0.00 0.00 23.12 21.20 2kb5 s ALA 90 CO 0.00 0.47 0.74 0.94 0.00 0.00 0.00 175.76 177.91 2kb5 n GLN 91 N 2.20 1.94 -3.55 0.00 7.27 -1.26 -4.77 117.38 119.21 2kb5 n GLN 91 Ca -0.16 -4.10 -0.25 0.00 0.07 0.00 0.00 57.00 52.55 2kb5 n GLN 91 Cb 0.53 -1.88 -0.15 0.00 2.41 0.00 0.00 30.24 31.15 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2kb5 s ASN 92 N -2.40 2.62 0.00 1.69 4.22 -1.26 -4.78 114.94 115.03 2kb5 s ASN 92 Ca 0.41 -0.83 0.12 0.00 -2.14 0.00 0.00 52.86 50.42 2kb5 s ASN 92 Cb 0.23 -0.14 0.66 0.00 1.28 0.00 0.00 41.25 43.27 2kb5 s ASN 92 CO -0.08 -0.38 1.22 2.30 -2.04 0.00 0.00 177.10 178.11 2kb5 n ILE 93 N 5.28 0.34 -0.00 0.54 -5.35 -1.26 -0.97 119.36 117.93 2kb5 n ILE 93 Ca -0.06 0.08 -0.09 0.00 -0.27 0.00 0.00 62.75 62.41 2kb5 n ILE 93 Cb 0.46 -0.89 -0.14 0.00 -1.74 0.00 0.00 39.64 37.33 2kb5 n ILE 93 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2kb5 h SER 94 N 0.00 0.03 0.00 7.28 4.64 -1.99 -3.38 113.55 120.13 2kb5 h SER 94 Ca 0.00 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 2kb5 h SER 94 Cb 0.05 -0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 61.93 2kb5 h SER 94 CO 0.00 1.05 -0.77 -3.20 -0.87 0.00 0.00 176.83 173.04 2kb5 n ASN 95 N -3.13 1.32 -4.51 4.97 4.05 -0.81 -5.03 115.26 112.12 2kb5 n ASN 95 Ca -0.15 -2.87 -0.43 0.00 0.45 0.00 0.00 54.58 51.59 2kb5 n ASN 95 Cb 1.03 -0.40 -0.04 0.00 1.23 0.00 0.00 39.78 41.60 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb5 s ARG 97 N 4.03 3.65 0.10 0.00 0.52 -1.26 -4.81 118.95 121.18 2kb5 s ARG 97 Ca 0.29 0.05 0.06 0.00 -0.52 0.00 0.00 55.73 55.60 2kb5 s ARG 97 Cb -0.13 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 2kb5 s ARG 97 CO 0.17 0.21 -0.14 0.71 0.02 0.00 0.00 175.30 176.27 2kb5 s TYR 98 N -2.08 1.32 -0.54 -0.53 2.02 -1.26 -2.61 117.35 113.67 2kb5 s TYR 98 Ca 0.45 -0.52 -0.18 0.00 -0.37 0.00 0.00 57.07 56.45 2kb5 s TYR 98 Cb -0.11 -0.71 0.09 0.00 -0.40 0.00 0.00 41.96 40.83 2kb5 s TYR 98 CO 0.29 0.10 0.58 0.00 -1.57 0.00 0.00 175.55 174.95 2kb5 s ALA 99 N -1.79 3.49 0.17 3.71 0.00 0.32 -4.80 121.76 122.86 2kb5 s ALA 99 Ca 0.04 -2.16 -0.30 0.00 0.00 0.00 0.00 51.96 49.54 2kb5 s ALA 99 Cb -0.07 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 2kb5 s ALA 99 CO 0.03 -2.07 1.24 0.34 0.00 0.00 0.00 175.76 175.30 2kb5 s ASP 100 N 3.19 7.01 -0.26 0.00 -1.08 -1.22 -3.05 116.67 121.26 2kb5 s ASP 100 Ca 0.09 2.27 -0.01 0.00 -0.52 0.00 0.00 52.55 54.38 2kb5 s ASP 100 Cb -0.24 -2.60 0.14 0.00 -1.46 0.00 0.00 42.92 38.75 2kb5 s ASP 100 CO 0.07 -0.44 0.35 -0.13 0.52 0.00 0.00 175.17 175.54 2kb5 s ARG 101 N -0.00 0.35 0.46 4.34 1.81 0.11 -4.93 118.95 121.07 2kb5 s ARG 101 Ca 0.55 0.24 -0.23 0.00 -1.72 0.00 0.00 55.73 54.57 2kb5 s ARG 101 Cb -0.34 -0.54 -0.07 0.00 -0.45 0.00 0.00 34.95 33.55 2kb5 s ARG 101 CO 0.36 -0.84 1.17 -1.25 -0.68 0.00 0.00 175.30 174.06 2kb5 s PRO 102 N 2.48 3.78 0.11 3.54 0.04 -1.26 -0.96 135.00 142.73 2kb5 s PRO 102 Ca 0.11 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 2kb5 s PRO 102 Cb -0.14 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 32.06 2kb5 s PRO 102 CO -0.23 -0.54 1.12 0.20 0.04 0.00 0.00 177.00 177.60 2kb5 s GLY 103 N -1.34 -0.00 -0.25 0.56 0.00 -0.87 -4.94 107.32 100.47 2kb5 s GLY 103 Ca 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.18 2kb5 s GLY 103 CO 0.35 3.18 0.36 -1.60 0.00 0.00 0.00 173.10 175.39 2kb5 s ARG 104 N -2.18 0.34 0.22 2.90 3.52 -1.26 0.42 118.95 122.90 2kb5 s ARG 104 Ca 0.23 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 56.12 2kb5 s ARG 104 Cb -0.02 -0.54 0.03 0.00 -1.56 0.00 0.00 34.95 32.86 2kb5 s ARG 104 CO 0.03 -0.76 0.41 0.54 -0.81 0.00 0.00 175.30 174.72 2kb5 n ARG 105 N 5.35 0.59 -0.64 5.12 5.12 -0.14 -4.70 116.66 127.37 2kb5 n ARG 105 Ca -0.03 -1.29 -0.14 0.00 -1.93 0.00 0.00 57.85 54.46 2kb5 n ARG 105 Cb 0.50 1.54 0.11 0.00 -1.16 0.00 0.00 32.46 33.45 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 -0.30 -3.62 -3.65 -1.55 3.72 -1.22 -2.89 117.46 107.95 2kb5 n PHE 106 Ca -0.04 -0.50 -0.09 0.00 -0.05 0.00 0.00 57.45 56.77 2kb5 n PHE 106 Cb 0.33 -0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 38.27 2kb5 n PHE 106 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 2kb5 s TYR 107 N -2.10 -0.93 -0.49 1.38 -0.85 -1.26 -1.92 117.35 111.18 2kb5 s TYR 107 Ca 0.35 1.95 -0.16 0.00 -0.52 0.00 0.00 57.07 58.68 2kb5 s TYR 107 Cb -0.02 0.51 0.08 0.00 0.38 0.00 0.00 41.96 42.90 2kb5 s TYR 107 CO 0.26 -0.47 0.44 0.08 -1.52 0.00 0.00 175.55 174.34 2kb5 s VAL 108 N 1.33 5.18 -0.12 -3.49 1.01 0.21 -1.89 120.40 122.63 2kb5 s VAL 108 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.86 2kb5 s VAL 108 Cb -0.05 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2kb5 s VAL 108 CO -0.14 -0.64 -0.14 0.68 0.00 0.00 0.00 175.10 174.85 2kb5 s VAL 109 N 1.77 2.98 -0.62 2.92 -7.23 -1.11 -0.66 120.40 118.45 2kb5 s VAL 109 Ca 0.05 -0.69 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 2kb5 s VAL 109 Cb -0.24 -2.24 0.04 0.00 0.56 0.00 0.00 36.38 34.50 2kb5 s VAL 109 CO 0.07 0.53 1.06 0.00 -0.31 0.00 0.00 175.10 176.45 2kb5 s ALA 110 N 0.30 3.04 -0.10 1.32 0.00 0.34 -3.22 121.76 123.44 2kb5 s ALA 110 Ca -0.11 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 2kb5 s ALA 110 Cb -0.16 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 2kb5 s ALA 110 CO 0.06 -2.70 0.57 0.00 0.00 0.00 0.00 175.76 173.69 2kb5 s ASP 112 N 0.72 0.47 0.10 0.00 2.15 -0.77 -4.83 116.67 114.51 2kb5 s ASP 112 Ca 0.30 -1.32 -0.34 0.00 0.43 0.00 0.00 52.55 51.62 2kb5 s ASP 112 Cb -0.16 0.30 -0.14 0.00 -0.30 0.00 0.00 42.92 42.62 2kb5 s ASP 112 CO 0.13 -0.77 1.62 -3.20 -0.17 0.00 0.00 175.17 172.78 2kb5 n ASN 113 N -0.26 3.00 -4.68 -0.34 4.05 -1.26 -2.61 115.26 113.15 2kb5 n ASN 113 Ca -0.01 1.07 -0.31 0.00 0.45 0.00 0.00 54.58 55.77 2kb5 n ASN 113 Cb 0.65 -1.39 -0.08 0.00 1.23 0.00 0.00 39.78 40.19 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb5 s ARG 114 N 1.54 2.11 0.03 1.20 1.04 -1.24 -4.94 118.95 118.70 2kb5 s ARG 114 Ca 0.82 -2.31 -0.30 0.00 -1.04 0.00 0.00 55.73 52.90 2kb5 s ARG 114 Cb -0.72 -1.48 -0.07 0.00 -2.04 0.00 0.00 34.95 30.65 2kb5 s ARG 114 CO 0.42 -0.30 1.50 -0.51 -0.04 0.00 0.00 175.30 176.37 2kb5 s ASP 115 N -3.81 6.75 0.00 -2.89 1.01 -1.26 -4.87 116.67 111.60 2kb5 s ASP 115 Ca 0.14 2.26 0.10 0.00 0.71 0.00 0.00 52.55 55.77 2kb5 s ASP 115 Cb 0.04 -2.56 0.62 0.00 1.01 0.00 0.00 42.92 42.03 2kb5 s ASP 115 CO 0.07 -0.79 1.06 -0.81 0.21 0.00 0.00 175.17 174.92 2kb5 n PRO 116 N 5.44 0.49 0.03 8.23 -0.04 -1.26 -2.07 135.00 145.82 2kb5 n PRO 116 Ca 0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2kb5 n PRO 116 Cb 0.42 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.64 -0.10 0.54 1.85 -1.26 -4.09 116.66 113.41 2kb5 n ARG 117 Ca 0.08 -0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 56.62 2kb5 n ARG 117 Cb 0.04 -1.64 -0.11 0.00 -1.05 0.00 0.00 32.46 29.70 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -2.43 1.92 -3.68 2.89 9.92 -0.88 -4.82 116.55 119.48 2kb5 n ASP 118 Ca -0.03 0.35 -0.30 0.00 -0.53 0.00 0.00 54.79 54.29 2kb5 n ASP 118 Cb 0.58 -0.90 -0.13 0.00 -0.64 0.00 0.00 41.12 40.02 2kb5 n ASP 118 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2kb5 s SER 119 N -7.02 3.67 -0.02 -2.24 0.15 -1.19 -5.00 113.70 102.05 2kb5 s SER 119 Ca -0.31 -2.25 -0.23 0.00 0.70 0.00 0.00 55.95 53.86 2kb5 s SER 119 Cb 0.08 -0.89 -0.16 0.00 -1.71 0.00 0.00 66.02 63.34 2kb5 s SER 119 CO 0.59 -0.32 1.06 1.55 1.20 0.00 0.00 173.24 177.32 2kb5 h PRO 120 N 7.20 -0.31 -0.10 5.44 0.13 -1.86 -3.22 132.00 139.28 2kb5 h PRO 120 Ca -0.04 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2kb5 h PRO 120 Cb 0.96 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2kb5 h PRO 120 CO 0.45 0.06 0.02 0.07 -0.23 0.00 0.00 178.00 178.37 2kb5 h ARG 121 N -0.81 0.13 -4.67 0.86 -0.00 -1.94 -3.38 114.38 104.57 2kb5 h ARG 121 Ca -0.03 -0.01 -0.69 0.00 -0.00 0.00 0.00 59.98 59.25 2kb5 h ARG 121 Cb 0.51 -0.03 -0.20 0.00 -0.00 0.00 0.00 29.97 30.25 2kb5 h ARG 121 CO 0.05 0.13 -0.49 0.71 -0.00 0.00 0.00 179.97 180.38 2kb5 s TYR 122 N -5.07 3.22 -0.02 4.08 2.02 -1.22 -4.98 117.35 115.39 2kb5 s TYR 122 Ca -0.06 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 55.98 2kb5 s TYR 122 Cb 0.17 -2.47 -0.19 0.00 -0.40 0.00 0.00 41.96 39.06 2kb5 s TYR 122 CO 0.69 -0.45 1.22 -1.00 -1.57 0.00 0.00 175.55 174.45 2kb5 h PRO 123 N 8.49 -0.07 -6.27 -1.71 0.13 -1.76 -3.43 132.00 127.37 2kb5 h PRO 123 Ca -0.30 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.26 2kb5 h PRO 123 Cb 1.14 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 2kb5 h PRO 123 CO 0.65 0.38 -0.64 0.54 -0.23 0.00 0.00 178.00 178.71 2kb5 s VAL 124 N -4.22 3.71 0.03 1.56 0.11 -1.26 -3.61 120.40 116.71 2kb5 s VAL 124 Ca -0.15 -1.60 -0.11 0.00 -2.93 0.00 0.00 61.98 57.19 2kb5 s VAL 124 Cb 0.02 -2.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.95 2kb5 s VAL 124 CO 0.64 -0.24 0.22 0.68 -3.33 0.00 0.00 175.10 173.07 2kb5 s VAL 125 N -1.99 0.10 0.18 2.04 -7.23 -1.07 -4.90 120.40 107.52 2kb5 s VAL 125 Ca 0.29 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 2kb5 s VAL 125 Cb -0.08 -0.86 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 2kb5 s VAL 125 CO 0.20 -0.44 1.31 -2.16 -0.31 0.00 0.00 175.10 173.70 2kb5 s PRO 126 N -2.40 4.38 0.00 4.82 0.04 -1.26 -1.84 135.00 138.74 2kb5 s PRO 126 Ca -0.06 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kb5 s PRO 126 Cb -0.02 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2kb5 s PRO 126 CO -0.03 -0.28 0.54 1.33 0.04 0.00 0.00 177.00 178.61 2kb5 n VAL 127 N 2.89 0.22 -3.64 -0.36 0.24 -0.67 -4.42 118.33 112.58 2kb5 n VAL 127 Ca 0.07 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 2kb5 n VAL 127 Cb 0.43 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.22 -0.65 -0.29 6.34 5.65 -1.25 -4.97 115.29 119.91 2kb5 s HIS 128 Ca 0.00 1.53 0.02 0.00 0.25 0.00 0.00 55.06 56.86 2kb5 s HIS 128 Cb 0.00 0.35 0.07 0.00 -1.18 0.00 0.00 32.58 31.82 2kb5 s HIS 128 CO 0.00 -0.32 -0.04 -1.17 -0.65 0.00 0.00 174.74 172.57 2kb5 s LEU 129 N 0.49 3.89 0.00 8.88 1.98 -1.26 -0.50 118.68 132.17 2kb5 s LEU 129 Ca -0.00 -1.53 -0.25 0.00 -2.89 0.00 0.00 54.13 49.46 2kb5 s LEU 129 Cb -0.05 -1.62 -0.15 0.00 0.66 0.00 0.00 46.19 45.03 2kb5 s LEU 129 CO -0.05 -0.26 1.09 -0.78 -1.89 0.00 0.00 176.35 174.45 2kb5 h ASP 130 N 7.82 -0.61 -5.58 3.68 1.82 -1.29 -3.49 116.42 118.77 2kb5 h ASP 130 Ca -0.17 -0.05 0.24 0.00 -0.39 0.00 0.00 57.03 56.66 2kb5 h ASP 130 Cb 1.04 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 41.15 2kb5 h ASP 130 CO 0.50 -0.22 0.71 0.28 -1.61 0.00 0.00 179.24 178.90 2kb5 s THR 131 N -4.49 0.00 -0.21 2.25 -1.32 -1.26 -5.01 115.64 105.61 2kb5 s THR 131 Ca -0.13 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2kb5 s THR 131 Cb 0.02 -2.80 0.05 0.00 -1.51 0.00 0.00 72.50 68.25 2kb5 s THR 131 CO 0.44 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 173.17 2kb5 s THR 132 N -2.19 1.70 0.00 5.08 -4.23 -1.26 -0.62 115.64 114.12 2kb5 s THR 132 Ca 0.23 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2kb5 s THR 132 Cb -0.01 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2kb5 s THR 132 CO 0.02 0.13 0.17 -0.38 -0.54 0.00 0.00 174.62 174.02