#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 -1.26 -4.90 135.00 132.13 2kb5 s PRO 2 Ca 0.00 0.50 0.16 0.00 0.04 0.00 0.00 61.00 61.70 2kb5 s PRO 2 Cb 0.00 -1.73 0.92 0.00 0.04 0.00 0.00 34.50 33.73 2kb5 s PRO 2 CO 0.00 -2.77 1.34 -0.35 0.04 0.00 0.00 177.00 175.26 2kb5 n PRO 3 N -4.20 0.47 0.04 0.56 -0.04 -1.26 -2.02 135.00 128.55 2kb5 n PRO 3 Ca 0.05 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2kb5 n PRO 3 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.01 0.38 -3.99 0.54 1.13 -1.26 -4.89 117.38 108.28 2kb5 n GLN 4 Ca 0.11 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.02 2kb5 n GLN 4 Cb 0.06 -1.63 -0.15 0.00 0.11 0.00 0.00 30.24 28.62 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2kb5 s PHE 5 N -3.26 0.33 0.55 1.08 0.08 -0.86 -5.05 117.98 110.86 2kb5 s PHE 5 Ca 0.02 -0.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.92 2kb5 s PHE 5 Cb 0.13 -0.33 -0.05 0.00 -0.57 0.00 0.00 43.02 42.20 2kb5 s PHE 5 CO 0.81 -0.08 0.95 0.95 -0.10 0.00 0.00 175.22 177.75 2kb5 s THR 6 N 0.56 4.72 0.53 0.64 -4.23 -1.26 -4.34 115.64 112.25 2kb5 s THR 6 Ca -0.06 0.80 0.33 0.00 -1.18 0.00 0.00 61.69 61.58 2kb5 s THR 6 Cb -0.09 -3.82 0.51 0.00 1.34 0.00 0.00 72.50 70.44 2kb5 s THR 6 CO -0.01 -0.94 1.84 0.03 -0.54 0.00 0.00 174.62 175.00 2kb5 h ARG 7 N 0.19 0.04 0.00 3.99 3.08 -1.95 0.60 114.38 120.33 2kb5 h ARG 7 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2kb5 h ARG 7 Cb 1.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2kb5 h ARG 7 CO 0.62 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 2kb5 n ALA 8 N -2.72 0.00 -0.05 0.04 0.00 -1.26 -3.01 120.51 113.50 2kb5 n ALA 8 Ca 0.23 -0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.81 2kb5 n ALA 8 Cb 1.10 0.00 0.60 0.00 0.00 0.00 0.00 19.45 21.15 2kb5 n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2kb5 h GLN 9 N 0.00 0.00 0.00 0.00 -0.00 -1.86 1.37 115.11 114.62 2kb5 h GLN 9 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.42 2kb5 h GLN 9 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.44 2kb5 h GLN 9 CO 0.00 0.00 -1.25 2.35 -0.00 0.00 0.00 178.83 179.93 2kb5 h TRP 10 N 0.00 0.00 0.10 0.06 -0.00 0.04 -3.18 115.95 112.97 2kb5 h TRP 10 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.22 2kb5 h TRP 10 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.13 2kb5 h TRP 10 CO 0.00 0.93 -0.05 0.35 -0.00 0.00 0.00 178.44 179.68 2kb5 h PHE 11 N 0.00 -0.13 0.00 2.65 3.04 0.19 -2.86 116.94 119.84 2kb5 h PHE 11 Ca -0.12 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.78 2kb5 h PHE 11 Cb 1.82 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 2kb5 h PHE 11 CO 0.00 0.11 -0.19 0.00 -2.02 0.00 0.00 178.31 176.21 2kb5 h ALA 12 N 0.52 1.40 -0.70 2.41 0.00 -1.62 0.44 119.26 121.72 2kb5 h ALA 12 Ca -0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2kb5 h ALA 12 Cb 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2kb5 h ALA 12 CO 0.02 0.24 0.27 0.82 0.00 0.00 0.00 179.25 180.60 2kb5 h ILE 13 N 0.00 0.71 0.00 0.00 1.08 -1.48 2.86 117.51 120.68 2kb5 h ILE 13 Ca -0.00 -0.15 -0.20 0.00 -0.39 0.00 0.00 64.86 64.11 2kb5 h ILE 13 Cb 0.42 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.36 2kb5 h ILE 13 CO 0.02 0.08 -2.03 0.00 -0.69 0.00 0.00 178.15 175.53 2kb5 n GLN 14 N -4.99 1.04 0.00 2.37 10.64 -1.10 -4.35 117.38 120.99 2kb5 n GLN 14 Ca 0.12 -0.06 0.12 0.00 -1.83 0.00 0.00 57.00 55.35 2kb5 n GLN 14 Cb 0.35 -1.43 0.30 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 -2.45 0.00 -3.68 2.61 8.25 0.15 -4.08 115.22 116.03 2kb5 n HIS 15 Ca -0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.07 2kb5 n HIS 15 Cb 0.85 -0.18 -0.18 0.00 1.12 0.00 0.00 29.99 31.61 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 -2.74 -0.11 -0.23 1.59 1.01 0.95 -0.70 121.20 120.97 2kb5 s ILE 16 Ca 0.18 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 2kb5 s ILE 16 Cb 0.18 -0.15 0.12 0.00 0.01 0.00 0.00 42.46 42.62 2kb5 s ILE 16 CO 0.61 0.17 0.44 -0.44 0.00 0.00 0.00 174.94 175.73 2kb5 s SER 17 N 2.11 -0.29 0.06 3.58 0.01 -0.42 -4.22 113.70 114.53 2kb5 s SER 17 Ca 0.04 0.80 -0.28 0.00 1.31 0.00 0.00 55.95 57.82 2kb5 s SER 17 Cb -0.12 1.44 -0.17 0.00 0.21 0.00 0.00 66.02 67.38 2kb5 s SER 17 CO -0.03 -0.25 1.57 -0.07 0.41 0.00 0.00 173.24 174.86 2kb5 h LEU 18 N 8.14 -0.40 -5.95 2.44 3.38 -1.85 -3.33 115.31 117.75 2kb5 h LEU 18 Ca -0.18 -0.04 -0.54 0.00 0.09 0.00 0.00 57.88 57.21 2kb5 h LEU 18 Cb 1.13 0.10 -0.40 0.00 0.09 0.00 0.00 40.66 41.58 2kb5 h LEU 18 CO 0.18 -0.21 -1.00 0.59 0.09 0.00 0.00 178.44 178.08 2kb5 n ASN 19 N -5.26 1.43 -4.76 -0.43 3.02 -1.26 -4.83 115.26 103.17 2kb5 n ASN 19 Ca -0.10 -3.02 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 2kb5 n ASN 19 Cb 0.23 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 2kb5 n ASN 19 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kb5 s PRO 20 N -2.04 4.46 0.00 3.52 0.04 -1.26 -5.04 135.00 134.68 2kb5 s PRO 20 Ca 0.39 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2kb5 s PRO 20 Cb 0.24 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2kb5 s PRO 20 CO -0.09 -0.04 0.00 -0.35 0.04 0.00 0.00 177.00 176.56 2kb5 n PRO 21 N 1.03 0.66 -1.85 0.56 -0.04 -1.26 -4.90 135.00 129.20 2kb5 n PRO 21 Ca -0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2kb5 n PRO 21 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 2kb5 n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kb5 s ARG 22 N -0.51 4.17 0.43 0.54 1.81 -1.26 -4.57 118.95 119.57 2kb5 s ARG 22 Ca 0.00 2.41 0.39 0.00 -1.72 0.00 0.00 55.73 56.81 2kb5 s ARG 22 Cb 0.00 -3.74 1.35 0.00 -0.45 0.00 0.00 34.95 32.11 2kb5 s ARG 22 CO 0.00 -0.81 1.23 0.00 -0.68 0.00 0.00 175.30 175.05 2kb5 h THR 24 N 0.00 0.67 0.07 0.00 2.02 -1.87 -2.66 112.91 111.14 2kb5 h THR 24 Ca 0.74 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 67.59 2kb5 h THR 24 Cb 2.92 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.97 2kb5 h THR 24 CO -0.05 0.00 -1.87 -0.38 0.37 0.00 0.00 175.52 173.59 2kb5 n ILE 25 N -5.27 1.71 0.17 3.11 5.41 0.31 -3.93 119.36 120.88 2kb5 n ILE 25 Ca -0.07 -0.72 0.08 0.00 1.00 0.00 0.00 62.75 63.05 2kb5 n ILE 25 Cb 0.19 -1.44 0.45 0.00 -0.71 0.00 0.00 39.64 38.13 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 0.47 1.14 -0.40 -1.39 0.00 -0.56 0.66 119.26 119.18 2kb5 h ALA 26 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2kb5 h ALA 26 Cb 2.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 2kb5 h ALA 26 CO 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.23 2kb5 n MET 27 N -2.15 3.34 -0.10 0.00 0.00 -1.01 -4.46 117.12 112.75 2kb5 n MET 27 Ca -0.01 -2.98 -0.19 0.00 0.00 0.00 0.00 57.70 54.52 2kb5 n MET 27 Cb 0.24 -1.99 -0.10 0.00 0.00 0.00 0.00 33.22 31.37 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 2.30 0.00 -0.07 3.17 0.11 0.14 -3.19 114.38 116.84 2kb5 h ARG 28 Ca 0.06 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.99 2kb5 h ARG 28 Cb 1.71 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.78 2kb5 h ARG 28 CO 0.37 0.87 -0.60 0.00 0.10 0.00 0.00 179.97 180.71 2kb5 h ALA 29 N -0.52 0.84 -0.66 0.08 0.00 -1.80 -3.07 119.26 114.13 2kb5 h ALA 29 Ca -0.28 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2kb5 h ALA 29 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kb5 h ALA 29 CO -0.17 0.73 0.00 -0.89 0.00 0.00 0.00 179.25 178.92 2kb5 n ILE 30 N -3.88 0.00 0.20 0.00 -0.00 -1.26 -3.27 119.36 111.15 2kb5 n ILE 30 Ca -0.02 0.88 0.10 0.00 -0.00 0.00 0.00 62.75 63.70 2kb5 n ILE 30 Cb 0.62 -1.76 0.26 0.00 -0.00 0.00 0.00 39.64 38.75 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 -1.70 0.36 115.58 120.98 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 0.23 -3.20 -1.65 0.00 0.00 177.43 172.81 2kb5 n ASN 32 N -2.79 0.39 0.10 5.81 5.15 -1.16 0.43 115.26 123.20 2kb5 n ASN 32 Ca 0.05 0.61 -0.02 0.00 -0.60 0.00 0.00 54.58 54.62 2kb5 n ASN 32 Cb 1.00 -0.58 -0.04 0.00 -0.53 0.00 0.00 39.78 39.63 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 -4.97 1.20 -0.00 -0.47 -3.47 116.97 109.27 2kb5 h TYR 33 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 58.73 58.16 2kb5 h TYR 33 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 37.09 2kb5 h TYR 33 CO 0.00 0.75 -0.40 2.89 -0.00 0.00 0.00 178.16 181.39 2kb5 n ARG 34 N -3.30 0.93 -0.32 0.10 1.85 0.17 -3.21 116.66 112.89 2kb5 n ARG 34 Ca 0.01 -3.19 0.08 0.00 -1.00 0.00 0.00 57.85 53.75 2kb5 n ARG 34 Cb 0.83 0.82 0.21 0.00 -1.05 0.00 0.00 32.46 33.27 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 -1.13 0.67 -4.22 2.89 7.02 -1.26 -4.95 117.44 116.46 2kb5 n TRP 35 Ca -0.17 -0.80 -0.17 0.00 -1.02 0.00 0.00 57.50 55.34 2kb5 n TRP 35 Cb 0.56 -0.22 -0.07 0.00 -2.42 0.00 0.00 31.31 29.15 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 -2.37 1.74 -0.01 -0.99 0.52 -1.26 -4.82 118.95 111.76 2kb5 s ARG 36 Ca 0.35 -1.90 -0.03 0.00 -0.52 0.00 0.00 55.73 53.63 2kb5 s ARG 36 Cb 0.27 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 36.05 2kb5 s ARG 36 CO 0.09 -0.66 0.19 0.00 0.02 0.00 0.00 175.30 174.93 2kb5 s LYS 38 N -1.91 3.72 0.63 0.00 2.36 -1.26 -4.89 119.74 118.38 2kb5 s LYS 38 Ca 0.27 0.32 0.18 0.00 -2.55 0.00 0.00 55.97 54.19 2kb5 s LYS 38 Cb -0.13 -3.83 0.75 0.00 -1.05 0.00 0.00 37.83 33.57 2kb5 s LYS 38 CO 0.18 -0.94 1.34 -0.97 1.55 0.00 0.00 175.35 176.52 2kb5 h ASN 39 N 8.59 0.00 -5.34 1.43 -0.73 -1.95 -3.41 115.58 114.16 2kb5 h ASN 39 Ca -0.24 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.80 2kb5 h ASN 39 Cb 1.09 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 39.55 2kb5 h ASN 39 CO 0.94 0.00 -0.37 -1.10 -0.37 0.00 0.00 177.43 176.53 2kb5 s GLN 40 N -4.27 1.23 -0.30 6.67 -0.21 -1.26 0.10 119.66 121.62 2kb5 s GLN 40 Ca -0.02 -1.32 -0.09 0.00 0.02 0.00 0.00 55.36 53.95 2kb5 s GLN 40 Cb 0.09 0.36 0.17 0.00 1.00 0.00 0.00 33.01 34.63 2kb5 s GLN 40 CO 0.29 -0.45 0.84 1.21 -2.12 0.00 0.00 175.29 175.06 2kb5 s ASN 41 N -3.03 -0.88 -0.16 5.90 3.04 0.34 -4.90 114.94 115.25 2kb5 s ASN 41 Ca 0.24 0.78 0.00 0.00 0.04 0.00 0.00 52.86 53.92 2kb5 s ASN 41 Cb 0.04 1.83 0.00 0.00 -1.54 0.00 0.00 41.25 41.58 2kb5 s ASN 41 CO 0.05 -0.17 -0.16 -0.89 -3.04 0.00 0.00 177.10 172.89 2kb5 s THR 42 N 2.79 2.54 -0.28 -5.21 2.01 -1.26 0.32 115.64 116.55 2kb5 s THR 42 Ca 0.05 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 2kb5 s THR 42 Cb -0.11 -2.08 0.05 0.00 0.01 0.00 0.00 72.50 70.37 2kb5 s THR 42 CO -0.17 0.51 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.89 2kb5 s PHE 43 N 0.98 3.22 -0.02 4.92 0.40 -0.70 -4.05 117.98 122.73 2kb5 s PHE 43 Ca -0.02 -1.86 -0.27 0.00 -0.60 0.00 0.00 56.93 54.17 2kb5 s PHE 43 Cb -0.15 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 2kb5 s PHE 43 CO -0.03 -0.80 0.87 -0.51 0.70 0.00 0.00 175.22 175.45 2kb5 s LEU 44 N 1.25 4.36 -1.32 -0.37 1.43 0.13 0.30 118.68 124.45 2kb5 s LEU 44 Ca -0.05 1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 54.36 2kb5 s LEU 44 Cb -0.19 -3.37 0.06 0.00 0.03 0.00 0.00 46.19 42.71 2kb5 s LEU 44 CO -0.02 -0.19 1.84 0.54 0.23 0.00 0.00 176.35 178.75 2kb5 n ARG 45 N 3.78 3.05 -3.51 1.70 1.74 0.01 -1.30 116.66 122.12 2kb5 n ARG 45 Ca 0.03 -3.11 -0.09 0.00 -0.77 0.00 0.00 57.85 53.91 2kb5 n ARG 45 Cb 0.51 -3.47 -0.02 0.00 -1.02 0.00 0.00 32.46 28.46 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 4.36 0.00 0.55 0.55 -1.32 -1.26 -4.66 115.64 113.86 2kb5 s THR 46 Ca 0.53 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.82 2kb5 s THR 46 Cb 0.06 -1.12 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2kb5 s THR 46 CO 0.05 0.00 0.95 -0.89 -2.21 0.00 0.00 174.62 172.52 2kb5 s THR 47 N -3.33 4.72 0.26 5.08 2.01 -1.26 -4.56 115.64 118.56 2kb5 s THR 47 Ca 0.05 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 62.82 2kb5 s THR 47 Cb -0.01 -3.83 0.24 0.00 0.01 0.00 0.00 72.50 68.92 2kb5 s THR 47 CO -0.09 -0.94 1.81 0.15 -0.69 0.00 0.00 174.62 174.86 2kb5 h PHE 48 N 0.17 0.96 -0.26 4.92 3.57 -1.99 -1.99 116.94 122.33 2kb5 h PHE 48 Ca -0.45 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.13 2kb5 h PHE 48 Cb 1.19 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2kb5 h PHE 48 CO 0.64 0.37 -0.09 0.00 -2.23 0.00 0.00 178.31 176.99 2kb5 h ALA 49 N 1.50 0.14 -0.01 2.41 0.00 -1.99 0.15 119.26 121.46 2kb5 h ALA 49 Ca 0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2kb5 h ALA 49 Cb 0.45 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kb5 h ALA 49 CO -0.27 -0.49 0.04 -0.91 0.00 0.00 0.00 179.25 177.62 2kb5 h ASN 50 N -0.04 0.00 0.08 0.00 2.35 -1.75 -1.83 115.58 114.40 2kb5 h ASN 50 Ca 0.13 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.64 2kb5 h ASN 50 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2kb5 h ASN 50 CO -0.29 0.00 -1.26 0.58 -1.65 0.00 0.00 177.43 174.82 2kb5 h VAL 51 N 0.00 1.07 -0.14 2.81 2.07 -0.59 -3.30 116.25 118.16 2kb5 h VAL 51 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2kb5 h VAL 51 Cb 0.08 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2kb5 h VAL 51 CO -0.00 0.62 0.09 0.58 0.02 0.00 0.00 177.57 178.87 2kb5 h VAL 52 N -0.51 1.04 0.00 2.57 2.07 -0.24 -1.01 116.25 120.16 2kb5 h VAL 52 Ca -0.29 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 2kb5 h VAL 52 Cb 1.59 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2kb5 h VAL 52 CO -0.01 0.04 -0.44 -1.13 0.02 0.00 0.00 177.57 176.05 2kb5 h ASN 53 N 0.19 0.00 -0.60 0.57 -1.24 -1.49 -2.97 115.58 110.04 2kb5 h ASN 53 Ca 0.05 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 2kb5 h ASN 53 Cb -0.01 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 2kb5 h ASN 53 CO -0.01 0.44 0.28 0.58 -1.29 0.00 0.00 177.43 177.43 2kb5 h VAL 54 N 0.00 1.21 -0.59 2.57 2.07 -1.26 -2.24 116.25 118.02 2kb5 h VAL 54 Ca -0.00 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2kb5 h VAL 54 Cb 0.85 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2kb5 h VAL 54 CO 0.06 0.26 0.39 0.00 0.02 0.00 0.00 177.57 178.29 2kb5 n GLY 56 N -1.47 -0.51 3.94 0.00 0.00 -0.84 -4.75 105.19 101.56 2kb5 n GLY 56 Ca 0.08 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.92 5.67 -0.49 1.61 0.01 0.12 -4.94 114.94 114.99 2kb5 s ASN 57 Ca 0.21 0.41 -0.37 0.00 -0.71 0.00 0.00 52.86 52.40 2kb5 s ASN 57 Cb 0.09 -1.52 -0.15 0.00 0.41 0.00 0.00 41.25 40.08 2kb5 s ASN 57 CO 0.16 -0.89 2.25 1.67 -1.51 0.00 0.00 177.10 178.78 2kb5 n GLN 58 N -2.30 0.57 -1.56 -0.60 0.00 -1.26 -4.88 117.38 107.35 2kb5 n GLN 58 Ca 0.03 0.14 -0.33 0.00 -0.00 0.00 0.00 57.00 56.84 2kb5 n GLN 58 Cb 0.58 -2.07 0.07 0.00 0.00 0.00 0.00 30.24 28.82 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 7.40 4.65 0.29 1.69 1.04 -1.26 -4.52 113.70 122.99 2kb5 s SER 59 Ca 1.16 2.11 0.01 0.00 0.48 0.00 0.00 55.95 59.71 2kb5 s SER 59 Cb -1.09 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 62.47 2kb5 s SER 59 CO 0.53 -1.94 0.35 2.30 0.98 0.00 0.00 173.24 175.46 2kb5 n ILE 60 N -2.70 0.00 -3.45 -1.02 -5.35 -0.91 -5.00 119.36 100.94 2kb5 n ILE 60 Ca 0.11 -1.71 -0.38 0.00 -0.27 0.00 0.00 62.75 60.50 2kb5 n ILE 60 Cb 0.51 0.97 -0.08 0.00 -1.74 0.00 0.00 39.64 39.31 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 -2.85 4.17 0.48 6.28 3.03 -1.26 -3.95 118.95 124.85 2kb5 s ARG 61 Ca 0.28 0.12 -0.23 0.00 2.03 0.00 0.00 55.73 57.93 2kb5 s ARG 61 Cb 0.00 -3.52 -0.07 0.00 -1.03 0.00 0.00 34.95 30.33 2kb5 s ARG 61 CO 0.20 0.02 1.32 0.00 -1.13 0.00 0.00 175.30 175.71 2kb5 h PRO 63 N 1.97 0.00 0.00 0.00 0.13 -1.97 -2.76 132.00 129.36 2kb5 h PRO 63 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.32 -0.27 0.45 -0.23 0.00 0.00 178.00 178.87 2kb5 h HIS 64 N 0.00 0.00 -2.89 1.56 3.86 -1.94 -3.39 115.15 112.35 2kb5 h HIS 64 Ca -0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.61 2kb5 h HIS 64 Cb 0.74 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.81 2kb5 h HIS 64 CO 0.00 0.27 -0.78 -0.80 0.86 0.00 0.00 177.93 177.49 2kb5 s ASN 65 N -6.25 3.52 0.00 2.45 -0.87 -1.04 -4.95 114.94 107.80 2kb5 s ASN 65 Ca 0.02 -2.22 0.16 0.00 -1.57 0.00 0.00 52.86 49.25 2kb5 s ASN 65 Cb 0.09 -0.78 0.96 0.00 -0.02 0.00 0.00 41.25 41.50 2kb5 s ASN 65 CO 0.67 -0.32 1.39 -2.11 -2.57 0.00 0.00 177.10 174.15 2kb5 n ARG 66 N 4.05 0.48 -0.43 -0.60 1.85 -1.25 -2.06 116.66 118.70 2kb5 n ARG 66 Ca 0.07 0.01 0.07 0.00 -1.00 0.00 0.00 57.85 57.00 2kb5 n ARG 66 Cb 0.37 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.45 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 -1.03 1.91 -3.65 8.89 5.66 -1.26 -5.00 114.28 119.80 2kb5 n THR 67 Ca 0.12 -2.66 -0.09 0.00 -3.05 0.00 0.00 64.05 58.37 2kb5 n THR 67 Cb 0.06 -0.16 -0.08 0.00 -1.55 0.00 0.00 70.33 68.61 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 -2.84 -0.72 -0.57 1.09 2.96 -0.88 -5.09 118.68 112.63 2kb5 s LEU 68 Ca 0.34 1.38 0.06 0.00 -0.22 0.00 0.00 54.13 55.70 2kb5 s LEU 68 Cb 0.32 2.21 0.24 0.00 0.50 0.00 0.00 46.19 49.46 2kb5 s LEU 68 CO -0.03 -0.23 0.66 -0.46 -1.32 0.00 0.00 176.35 174.97 2kb5 n ASN 69 N 3.90 2.65 -2.03 3.68 6.94 -1.26 -3.21 115.26 125.93 2kb5 n ASN 69 Ca -0.19 -3.20 -0.24 0.00 -0.02 0.00 0.00 54.58 50.93 2kb5 n ASN 69 Cb 0.58 -0.66 0.02 0.00 -2.36 0.00 0.00 39.78 37.35 2kb5 n ASN 69 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2kb5 n ASN 70 N 1.13 5.06 -3.74 0.53 5.15 -1.26 -4.83 115.26 117.30 2kb5 n ASN 70 Ca 0.27 -3.75 -0.10 0.00 -0.60 0.00 0.00 54.58 50.40 2kb5 n ASN 70 Cb 0.44 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.25 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb5 s HIS 72 N -3.59 1.46 -0.25 0.00 3.76 -1.23 -2.14 115.29 113.31 2kb5 s HIS 72 Ca 0.02 -0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 54.46 2kb5 s HIS 72 Cb 0.03 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.78 2kb5 s HIS 72 CO -0.10 0.02 0.42 0.50 -0.85 0.00 0.00 174.74 174.72 2kb5 s ARG 73 N -0.75 4.07 -0.46 1.40 3.52 -1.26 -3.45 118.95 122.02 2kb5 s ARG 73 Ca 0.05 0.16 -0.41 0.00 -0.13 0.00 0.00 55.73 55.40 2kb5 s ARG 73 Cb -0.07 -3.62 -0.18 0.00 -1.56 0.00 0.00 34.95 29.52 2kb5 s ARG 73 CO 0.00 -0.23 1.80 0.45 -0.81 0.00 0.00 175.30 176.51 2kb5 n SER 74 N 5.16 0.82 0.10 -2.12 2.88 -0.95 -4.76 113.62 114.74 2kb5 n SER 74 Ca -0.07 0.77 0.08 0.00 -1.33 0.00 0.00 58.87 58.32 2kb5 n SER 74 Cb 0.51 -0.82 0.55 0.00 -0.75 0.00 0.00 64.21 63.70 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 7.08 0.24 -6.40 -1.46 0.11 -1.93 -3.42 114.38 108.61 2kb5 h ARG 75 Ca -0.19 -0.01 -0.68 0.00 0.10 0.00 0.00 59.98 59.20 2kb5 h ARG 75 Cb 1.29 -0.06 -0.19 0.00 1.11 0.00 0.00 29.97 32.12 2kb5 h ARG 75 CO 0.97 0.16 -0.74 -0.59 0.10 0.00 0.00 179.97 179.87 2kb5 s PHE 76 N -5.26 2.76 0.37 4.08 -0.12 -1.26 -5.11 117.98 113.43 2kb5 s PHE 76 Ca -0.07 -0.12 -0.25 0.00 -0.05 0.00 0.00 56.93 56.44 2kb5 s PHE 76 Cb 0.18 -1.55 -0.10 0.00 -0.63 0.00 0.00 43.02 40.92 2kb5 s PHE 76 CO 0.71 0.32 0.98 1.03 -0.05 0.00 0.00 175.22 178.21 2kb5 s ARG 77 N -1.42 4.38 0.02 1.99 0.52 -1.26 -4.76 118.95 118.42 2kb5 s ARG 77 Ca 0.16 1.36 -0.10 0.00 -0.52 0.00 0.00 55.73 56.63 2kb5 s ARG 77 Cb -0.11 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.76 2kb5 s ARG 77 CO 0.07 0.08 0.20 0.14 0.02 0.00 0.00 175.30 175.81 2kb5 s VAL 78 N -1.72 0.09 -0.34 3.52 -7.23 -0.76 -4.91 120.40 109.05 2kb5 s VAL 78 Ca 0.55 -0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 2kb5 s VAL 78 Cb -0.18 -0.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 2kb5 s VAL 78 CO 0.23 -0.43 1.70 -2.16 -0.31 0.00 0.00 175.10 174.13 2kb5 s PRO 79 N -2.11 3.42 0.43 4.82 0.04 -1.26 -1.61 135.00 138.72 2kb5 s PRO 79 Ca -0.09 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2kb5 s PRO 79 Cb -0.03 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2kb5 s PRO 79 CO -0.01 -1.76 0.23 -0.48 0.04 0.00 0.00 177.00 175.02 2kb5 s LEU 80 N 6.45 3.08 0.01 -3.56 0.05 0.15 -0.81 118.68 124.04 2kb5 s LEU 80 Ca 0.75 -1.07 0.08 0.00 0.05 0.00 0.00 54.13 53.95 2kb5 s LEU 80 Cb -0.20 -1.48 -0.02 0.00 -2.05 0.00 0.00 46.19 42.43 2kb5 s LEU 80 CO 0.33 -0.64 -0.26 -0.22 -0.55 0.00 0.00 176.35 175.02 2kb5 s LEU 81 N -3.98 2.10 -0.22 1.48 1.98 0.15 -2.04 118.68 118.14 2kb5 s LEU 81 Ca 0.40 -0.51 -0.02 0.00 -2.89 0.00 0.00 54.13 51.11 2kb5 s LEU 81 Cb 0.02 -1.29 0.01 0.00 0.66 0.00 0.00 46.19 45.59 2kb5 s LEU 81 CO 0.22 0.29 -0.08 -1.00 -1.89 0.00 0.00 176.35 173.89 2kb5 s HIS 82 N -0.68 2.95 -0.52 5.38 3.76 -0.12 -1.73 115.29 124.34 2kb5 s HIS 82 Ca 0.10 -1.31 0.04 0.00 -0.15 0.00 0.00 55.06 53.75 2kb5 s HIS 82 Cb -0.10 -2.05 0.16 0.00 1.11 0.00 0.00 32.58 31.70 2kb5 s HIS 82 CO 0.00 -0.67 0.37 0.00 -0.85 0.00 0.00 174.74 173.59 2kb5 s ASP 84 N -0.38 6.60 -0.69 0.00 2.15 -1.21 -0.50 116.67 122.63 2kb5 s ASP 84 Ca 0.26 1.11 -0.26 0.00 0.43 0.00 0.00 52.55 54.09 2kb5 s ASP 84 Cb -0.07 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 2kb5 s ASP 84 CO -0.13 -0.29 1.87 -0.22 -0.17 0.00 0.00 175.17 176.22 2kb5 s LEU 85 N -3.46 3.26 0.05 -1.34 2.96 0.12 -0.58 118.68 119.68 2kb5 s LEU 85 Ca 0.51 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 2kb5 s LEU 85 Cb -0.10 -2.54 0.16 0.00 0.50 0.00 0.00 46.19 44.21 2kb5 s LEU 85 CO 0.26 -2.45 1.06 -0.38 -1.32 0.00 0.00 176.35 173.53 2kb5 n ILE 86 N 7.35 1.74 -3.58 6.68 5.41 -1.15 -3.76 119.36 132.06 2kb5 n ILE 86 Ca 0.25 0.54 -0.39 0.00 1.00 0.00 0.00 62.75 64.14 2kb5 n ILE 86 Cb 0.51 -1.54 -0.06 0.00 -0.71 0.00 0.00 39.64 37.84 2kb5 n ILE 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2kb5 s ASN 87 N -3.09 5.93 -0.30 4.38 0.01 -1.26 -5.05 114.94 115.56 2kb5 s ASN 87 Ca -0.00 -3.11 -0.29 0.00 -0.71 0.00 0.00 52.86 48.75 2kb5 s ASN 87 Cb 0.01 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.68 2kb5 s ASN 87 CO 0.03 -0.36 1.67 -2.16 -1.51 0.00 0.00 177.10 174.77 2kb5 s PRO 88 N -0.45 3.55 0.00 -0.60 0.04 -1.25 -2.26 135.00 134.03 2kb5 s PRO 88 Ca 0.21 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2kb5 s PRO 88 Cb -0.14 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2kb5 s PRO 88 CO -0.07 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2kb5 n GLY 89 N 5.08 0.51 3.81 0.56 0.00 -1.26 -5.08 105.19 108.81 2kb5 n GLY 89 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 3.50 -0.47 4.61 0.00 -0.96 -5.03 121.76 121.42 2kb5 s ALA 90 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.16 2kb5 s ALA 90 Cb 0.00 -2.75 0.27 0.00 0.00 0.00 0.00 23.12 20.64 2kb5 s ALA 90 CO 0.00 0.36 0.63 1.04 0.00 0.00 0.00 175.76 177.80 2kb5 n GLN 91 N 1.24 1.42 -3.34 0.00 6.02 -1.26 -4.91 117.38 116.54 2kb5 n GLN 91 Ca -0.06 -3.76 -0.10 0.00 -0.01 0.00 0.00 57.00 53.08 2kb5 n GLN 91 Cb 0.51 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.83 0.37 0.28 1.08 2.20 -1.26 -4.82 114.94 110.96 2kb5 s ASN 92 Ca 0.38 0.02 -0.02 0.00 -0.94 0.00 0.00 52.86 52.30 2kb5 s ASN 92 Cb 0.19 1.07 0.41 0.00 -2.00 0.00 0.00 41.25 40.92 2kb5 s ASN 92 CO -0.08 -0.32 1.91 0.16 -2.94 0.00 0.00 177.10 175.83 2kb5 h ILE 93 N 6.18 1.13 -0.76 0.54 3.07 -1.88 1.10 117.51 126.90 2kb5 h ILE 93 Ca -0.17 -0.40 -0.04 0.00 1.55 0.00 0.00 64.86 65.80 2kb5 h ILE 93 Cb 1.14 -0.15 -0.03 0.00 -0.27 0.00 0.00 36.82 37.51 2kb5 h ILE 93 CO 0.27 0.22 0.33 0.28 -1.05 0.00 0.00 178.15 178.20 2kb5 h SER 94 N 1.18 1.03 -0.42 2.16 0.02 -1.96 -2.85 113.55 112.70 2kb5 h SER 94 Ca 0.40 -0.16 -0.21 0.00 -0.84 0.00 0.00 61.79 60.98 2kb5 h SER 94 Cb 0.07 -0.27 -0.12 0.00 0.14 0.00 0.00 62.40 62.22 2kb5 h SER 94 CO -0.13 0.91 0.01 0.59 -1.14 0.00 0.00 176.83 177.06 2kb5 n ASN 95 N -4.34 2.75 -4.40 3.07 3.02 -0.77 -4.94 115.26 109.65 2kb5 n ASN 95 Ca 0.07 -3.70 -0.44 0.00 -0.03 0.00 0.00 54.58 50.47 2kb5 n ASN 95 Cb 0.16 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 2kb5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s ARG 97 N 2.00 3.75 0.10 0.00 0.52 -1.26 -4.88 118.95 119.19 2kb5 s ARG 97 Ca 0.08 0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.69 2kb5 s ARG 97 Cb -0.23 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 2kb5 s ARG 97 CO 0.08 0.06 -0.15 0.71 0.02 0.00 0.00 175.30 176.02 2kb5 s TYR 98 N -2.24 1.40 -0.50 -0.53 2.02 -1.26 -2.94 117.35 113.29 2kb5 s TYR 98 Ca 0.49 -0.50 -0.13 0.00 -0.37 0.00 0.00 57.07 56.57 2kb5 s TYR 98 Cb -0.10 -0.76 0.12 0.00 -0.40 0.00 0.00 41.96 40.82 2kb5 s TYR 98 CO 0.30 0.12 0.42 0.00 -1.57 0.00 0.00 175.55 174.82 2kb5 s ALA 99 N -1.66 3.52 0.11 3.71 0.00 0.25 -4.76 121.76 122.93 2kb5 s ALA 99 Ca 0.04 -2.49 -0.31 0.00 0.00 0.00 0.00 51.96 49.20 2kb5 s ALA 99 Cb -0.08 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 2kb5 s ALA 99 CO 0.03 -1.94 1.31 0.16 0.00 0.00 0.00 175.76 175.32 2kb5 s ASP 100 N 3.10 6.93 -0.26 0.00 -4.77 -1.23 -3.28 116.67 117.15 2kb5 s ASP 100 Ca 0.04 2.22 -0.01 0.00 -3.30 0.00 0.00 52.55 51.50 2kb5 s ASP 100 Cb -0.28 -2.59 0.14 0.00 -1.09 0.00 0.00 42.92 39.10 2kb5 s ASP 100 CO 0.02 -0.57 0.35 -0.13 0.70 0.00 0.00 175.17 175.54 2kb5 s ARG 101 N 0.95 0.35 0.66 2.11 1.81 0.13 -4.95 118.95 120.01 2kb5 s ARG 101 Ca 0.62 0.25 -0.15 0.00 -1.72 0.00 0.00 55.73 54.72 2kb5 s ARG 101 Cb -0.34 -0.54 0.00 0.00 -0.45 0.00 0.00 34.95 33.62 2kb5 s ARG 101 CO 0.31 -0.83 1.11 -1.25 -0.68 0.00 0.00 175.30 173.95 2kb5 s PRO 102 N 2.48 2.79 0.00 3.54 0.04 -1.26 -0.94 135.00 141.65 2kb5 s PRO 102 Ca 0.11 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2kb5 s PRO 102 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kb5 s PRO 102 CO -0.23 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2kb5 n GLY 103 N -0.56 0.94 3.27 0.56 0.00 -0.86 -4.91 105.19 103.62 2kb5 n GLY 103 Ca 0.10 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2kb5 n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb5 s ARG 104 N -2.00 2.59 0.20 1.61 3.52 -1.26 0.31 118.95 123.92 2kb5 s ARG 104 Ca 0.00 -1.27 -0.06 0.00 -0.13 0.00 0.00 55.73 54.27 2kb5 s ARG 104 Cb 0.00 -3.55 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2kb5 s ARG 104 CO 0.00 -0.75 0.38 0.54 -0.81 0.00 0.00 175.30 174.66 2kb5 n ARG 105 N 4.83 0.55 -1.45 5.12 1.74 -0.63 -4.83 116.66 121.98 2kb5 n ARG 105 Ca -0.11 -1.20 -0.16 0.00 -0.77 0.00 0.00 57.85 55.61 2kb5 n ARG 105 Cb 0.44 1.42 0.10 0.00 -1.02 0.00 0.00 32.46 33.41 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 -0.28 -3.61 -3.69 -1.55 3.72 -1.08 -1.82 117.46 109.15 2kb5 n PHE 106 Ca -0.04 -0.88 -0.14 0.00 -0.05 0.00 0.00 57.45 56.35 2kb5 n PHE 106 Cb 0.31 -0.55 -0.09 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.35 -0.54 -0.41 1.38 1.13 -1.26 -0.79 117.35 114.50 2kb5 s TYR 107 Ca 0.44 1.26 -0.12 0.00 -1.41 0.00 0.00 57.07 57.24 2kb5 s TYR 107 Cb -0.02 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 41.09 2kb5 s TYR 107 CO 0.30 -0.31 0.27 0.08 -2.51 0.00 0.00 175.55 173.38 2kb5 s VAL 108 N -0.00 4.70 -0.10 -3.49 1.01 0.22 -2.25 120.40 120.48 2kb5 s VAL 108 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2kb5 s VAL 108 Cb -0.03 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2kb5 s VAL 108 CO 0.02 -0.38 -0.24 0.68 0.00 0.00 0.00 175.10 175.18 2kb5 s VAL 109 N 1.55 2.02 -0.40 2.92 -7.23 -1.22 -0.58 120.40 117.46 2kb5 s VAL 109 Ca 0.03 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.95 2kb5 s VAL 109 Cb -0.21 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.00 2kb5 s VAL 109 CO 0.06 0.55 0.91 0.00 -0.31 0.00 0.00 175.10 176.31 2kb5 s ALA 110 N 0.32 3.35 -0.06 1.32 0.00 0.94 -3.50 121.76 124.13 2kb5 s ALA 110 Ca -0.18 -0.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 2kb5 s ALA 110 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2kb5 s ALA 110 CO 0.08 -1.74 0.56 0.00 0.00 0.00 0.00 175.76 174.67 2kb5 s ASP 112 N 0.34 0.18 0.33 0.00 2.15 0.90 -4.80 116.67 115.76 2kb5 s ASP 112 Ca 0.30 -1.40 -0.28 0.00 0.43 0.00 0.00 52.55 51.60 2kb5 s ASP 112 Cb -0.17 0.38 -0.13 0.00 -0.30 0.00 0.00 42.92 42.71 2kb5 s ASP 112 CO 0.14 -0.84 1.27 0.59 -0.17 0.00 0.00 175.17 176.16 2kb5 n ASN 113 N -0.29 2.61 -4.85 -0.34 3.02 -1.26 -1.18 115.26 112.97 2kb5 n ASN 113 Ca 0.02 1.20 -0.27 0.00 -0.03 0.00 0.00 54.58 55.50 2kb5 n ASN 113 Cb 0.66 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 2kb5 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb5 s ARG 114 N -1.74 2.25 0.40 3.52 1.04 -1.23 -4.82 118.95 118.37 2kb5 s ARG 114 Ca 0.57 -2.05 -0.24 0.00 -1.04 0.00 0.00 55.73 52.97 2kb5 s ARG 114 Cb -0.59 -1.98 -0.09 0.00 -2.04 0.00 0.00 34.95 30.26 2kb5 s ARG 114 CO 0.61 -0.47 1.08 -0.51 -0.04 0.00 0.00 175.30 175.97 2kb5 s ASP 115 N -4.13 6.70 0.00 -2.89 1.01 -1.26 -4.91 116.67 111.19 2kb5 s ASP 115 Ca 0.30 2.12 0.10 0.00 0.71 0.00 0.00 52.55 55.78 2kb5 s ASP 115 Cb -0.00 -2.59 0.60 0.00 1.01 0.00 0.00 42.92 41.94 2kb5 s ASP 115 CO 0.18 -0.54 1.04 -0.81 0.21 0.00 0.00 175.17 175.25 2kb5 n PRO 116 N -0.02 0.49 0.00 8.23 -0.04 -1.26 -1.89 135.00 140.50 2kb5 n PRO 116 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kb5 n PRO 116 Cb 0.49 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.83 0.93 -0.08 0.54 1.85 -1.26 -4.77 116.66 113.04 2kb5 n ARG 117 Ca 0.08 -0.78 -0.18 0.00 -1.00 0.00 0.00 57.85 55.97 2kb5 n ARG 117 Cb 0.03 -0.72 -0.06 0.00 -1.05 0.00 0.00 32.46 30.66 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -0.17 1.30 -3.58 2.89 9.92 -0.79 -4.91 116.55 121.21 2kb5 n ASP 118 Ca 0.00 0.18 -0.29 0.00 -0.53 0.00 0.00 54.79 54.16 2kb5 n ASP 118 Cb 0.33 -0.48 -0.12 0.00 -0.64 0.00 0.00 41.12 40.22 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 -6.44 3.04 0.13 -2.24 0.15 -1.14 -4.98 113.70 102.23 2kb5 s SER 119 Ca -0.23 -2.69 -0.12 0.00 0.70 0.00 0.00 55.95 53.61 2kb5 s SER 119 Cb 0.09 -0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 63.59 2kb5 s SER 119 CO 0.30 -0.24 1.46 1.55 1.20 0.00 0.00 173.24 177.51 2kb5 h PRO 120 N 6.47 0.90 0.22 5.44 0.13 -1.86 -3.34 132.00 139.96 2kb5 h PRO 120 Ca 0.09 -0.48 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2kb5 h PRO 120 Cb 0.92 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kb5 h PRO 120 CO 0.41 1.13 -0.10 0.07 -0.23 0.00 0.00 178.00 179.27 2kb5 h ARG 121 N 0.70 -0.28 -6.05 0.86 0.11 -1.99 -3.43 114.38 104.31 2kb5 h ARG 121 Ca 0.06 0.02 -0.58 0.00 0.10 0.00 0.00 59.98 59.58 2kb5 h ARG 121 Cb 0.97 0.06 -0.06 0.00 1.11 0.00 0.00 29.97 32.05 2kb5 h ARG 121 CO 0.09 0.01 0.70 0.71 0.10 0.00 0.00 179.97 181.58 2kb5 s TYR 122 N -3.01 3.36 0.10 4.08 2.02 -1.25 -4.94 117.35 117.69 2kb5 s TYR 122 Ca -0.09 1.42 -0.15 0.00 -0.37 0.00 0.00 57.07 57.88 2kb5 s TYR 122 Cb 0.00 -3.21 -0.09 0.00 -0.40 0.00 0.00 41.96 38.26 2kb5 s TYR 122 CO 0.32 -0.43 1.42 -1.00 -1.57 0.00 0.00 175.55 174.29 2kb5 h PRO 123 N 7.44 0.68 -6.28 -1.71 0.13 -1.84 -3.43 132.00 126.98 2kb5 h PRO 123 Ca -0.21 -0.36 -0.58 0.00 -0.87 0.00 0.00 66.00 63.98 2kb5 h PRO 123 Cb 1.08 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.11 2kb5 h PRO 123 CO 0.94 0.97 -0.66 0.54 -0.23 0.00 0.00 178.00 179.56 2kb5 s VAL 124 N -4.36 3.48 0.01 1.56 0.11 -1.26 -3.54 120.40 116.40 2kb5 s VAL 124 Ca -0.12 -1.74 -0.14 0.00 -2.93 0.00 0.00 61.98 57.05 2kb5 s VAL 124 Cb 0.08 -2.81 0.02 0.00 -1.53 0.00 0.00 36.38 32.14 2kb5 s VAL 124 CO 0.82 -0.26 0.29 0.68 -3.33 0.00 0.00 175.10 173.30 2kb5 s VAL 125 N -2.06 0.07 0.12 2.04 -7.23 -0.33 -4.87 120.40 108.14 2kb5 s VAL 125 Ca 0.29 -0.58 -0.31 0.00 -1.81 0.00 0.00 61.98 59.57 2kb5 s VAL 125 Cb -0.08 -0.72 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 2kb5 s VAL 125 CO 0.19 -0.32 1.35 -2.16 -0.31 0.00 0.00 175.10 173.85 2kb5 s PRO 126 N -1.77 4.34 0.00 4.82 0.04 -1.26 -0.07 135.00 141.10 2kb5 s PRO 126 Ca -0.11 2.04 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2kb5 s PRO 126 Cb -0.04 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2kb5 s PRO 126 CO 0.01 -0.39 0.64 1.33 0.04 0.00 0.00 177.00 178.63 2kb5 n VAL 127 N 3.72 0.27 -3.63 -0.36 0.24 0.30 -4.38 118.33 114.51 2kb5 n VAL 127 Ca 0.10 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 2kb5 n VAL 127 Cb 0.43 0.86 -0.07 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.27 -0.70 -0.25 6.34 5.65 -1.23 -4.96 115.29 119.87 2kb5 s HIS 128 Ca 0.00 1.68 0.02 0.00 0.25 0.00 0.00 55.06 57.01 2kb5 s HIS 128 Cb 0.00 0.30 0.06 0.00 -1.18 0.00 0.00 32.58 31.76 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 0.25 3.12 -0.02 8.88 1.98 -1.26 -0.04 118.68 131.59 2kb5 s LEU 129 Ca 0.00 -1.31 -0.21 0.00 -2.89 0.00 0.00 54.13 49.72 2kb5 s LEU 129 Cb -0.05 -1.41 -0.13 0.00 0.66 0.00 0.00 46.19 45.26 2kb5 s LEU 129 CO -0.00 -0.21 0.93 -0.78 -1.89 0.00 0.00 176.35 174.40 2kb5 h ASP 130 N 7.84 -0.44 -5.52 3.68 1.82 -1.24 -3.50 116.42 119.06 2kb5 h ASP 130 Ca -0.19 -0.11 0.22 0.00 -0.39 0.00 0.00 57.03 56.56 2kb5 h ASP 130 Cb 1.05 0.11 -0.06 0.00 0.68 0.00 0.00 39.33 41.12 2kb5 h ASP 130 CO 0.44 -0.01 0.65 0.28 -1.61 0.00 0.00 179.24 179.00 2kb5 s THR 131 N -3.94 0.00 -0.17 2.25 -1.32 -1.25 -5.00 115.64 106.21 2kb5 s THR 131 Ca -0.12 -0.48 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 2kb5 s THR 131 Cb 0.01 -2.62 0.05 0.00 -1.51 0.00 0.00 72.50 68.43 2kb5 s THR 131 CO 0.40 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 173.21 2kb5 s THR 132 N -2.38 0.94 0.00 5.08 -4.23 -1.26 -0.61 115.64 113.17 2kb5 s THR 132 Ca 0.20 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 2kb5 s THR 132 Cb -0.01 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.62 2kb5 s THR 132 CO 0.02 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.13