#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 0.35 0.04 2.89 0.04 -1.25 -4.92 135.00 132.15 2kb5 s PRO 2 Ca 0.00 0.50 0.16 0.00 0.04 0.00 0.00 61.00 61.69 2kb5 s PRO 2 Cb 0.00 -1.73 0.66 0.00 0.04 0.00 0.00 34.50 33.47 2kb5 s PRO 2 CO 0.00 -2.78 1.49 -0.35 0.04 0.00 0.00 177.00 175.40 2kb5 n PRO 3 N -4.20 0.03 0.08 0.56 -0.04 -1.26 -2.77 135.00 127.39 2kb5 n PRO 3 Ca 0.05 0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 63.56 2kb5 n PRO 3 Cb 0.57 -1.55 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2kb5 n PRO 3 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kb5 h GLN 4 N 0.00 0.41 -5.77 0.54 4.20 -2.04 -3.46 115.11 108.99 2kb5 h GLN 4 Ca 0.00 -0.70 -0.68 0.00 0.06 0.00 0.00 58.65 57.34 2kb5 h GLN 4 Cb 0.26 0.26 -0.28 0.00 0.30 0.00 0.00 27.48 28.02 2kb5 h GLN 4 CO 0.00 1.33 -0.81 -0.06 -0.67 0.00 0.00 178.83 178.62 2kb5 s PHE 5 N -2.58 2.66 0.75 2.96 0.08 -1.12 -5.10 117.98 115.63 2kb5 s PHE 5 Ca -0.16 -0.57 -0.12 0.00 0.12 0.00 0.00 56.93 56.20 2kb5 s PHE 5 Cb 0.05 -1.71 0.19 0.00 -0.57 0.00 0.00 43.02 40.98 2kb5 s PHE 5 CO 0.86 -0.13 0.47 0.25 -0.10 0.00 0.00 175.22 176.57 2kb5 n THR 6 N 3.05 0.00 0.09 0.64 -2.24 -1.26 -3.96 114.28 110.60 2kb5 n THR 6 Ca -0.18 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 2kb5 n THR 6 Cb 0.52 -0.61 0.01 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.00 0.00 -0.78 3.08 -1.93 -2.93 114.38 111.82 2kb5 h ARG 7 Ca -0.21 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2kb5 h ARG 7 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2kb5 h ARG 7 CO 0.13 0.83 -0.21 0.00 -1.07 0.00 0.00 179.97 179.65 2kb5 h ALA 8 N 1.17 0.00 -0.87 0.04 0.00 -1.92 -3.07 119.26 114.61 2kb5 h ALA 8 Ca -0.01 -0.32 0.25 0.00 0.00 0.00 0.00 54.91 54.84 2kb5 h ALA 8 Cb 1.48 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2kb5 h ALA 8 CO 0.11 0.21 0.80 -0.56 0.00 0.00 0.00 179.25 179.81 2kb5 h GLN 9 N -0.49 0.00 0.00 0.00 -0.00 -1.90 1.26 115.11 113.98 2kb5 h GLN 9 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 2kb5 h GLN 9 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.66 2kb5 h GLN 9 CO 0.00 0.00 -1.05 2.35 -0.00 0.00 0.00 178.83 180.13 2kb5 h TRP 10 N 0.00 0.00 0.14 0.06 -0.00 -1.68 -3.19 115.95 111.28 2kb5 h TRP 10 Ca 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.29 2kb5 h TRP 10 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.18 2kb5 h TRP 10 CO 0.00 0.66 -0.07 0.35 -0.00 0.00 0.00 178.44 179.38 2kb5 h PHE 11 N 0.00 -0.18 0.00 2.65 3.04 0.17 -2.91 116.94 119.71 2kb5 h PHE 11 Ca -0.09 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.81 2kb5 h PHE 11 Cb 1.59 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 40.15 2kb5 h PHE 11 CO 0.00 0.08 -0.22 0.00 -2.02 0.00 0.00 178.31 176.15 2kb5 h ALA 12 N 0.39 1.30 -0.61 2.41 0.00 -1.62 0.38 119.26 121.51 2kb5 h ALA 12 Ca -0.02 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kb5 h ALA 12 Cb 0.34 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2kb5 h ALA 12 CO 0.03 0.27 0.16 0.82 0.00 0.00 0.00 179.25 180.54 2kb5 h ILE 13 N 0.00 0.66 0.00 0.00 1.08 -1.49 2.85 117.51 120.61 2kb5 h ILE 13 Ca -0.00 -0.10 -0.20 0.00 -0.39 0.00 0.00 64.86 64.17 2kb5 h ILE 13 Cb 0.50 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 2kb5 h ILE 13 CO 0.03 0.05 -2.06 0.00 -0.69 0.00 0.00 178.15 175.48 2kb5 n GLN 14 N -5.09 0.95 0.00 2.37 10.64 -1.13 -4.33 117.38 120.78 2kb5 n GLN 14 Ca 0.09 -0.07 0.12 0.00 -1.83 0.00 0.00 57.00 55.32 2kb5 n GLN 14 Cb 0.32 -1.44 0.30 0.00 -0.86 0.00 0.00 30.24 28.56 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 -2.46 0.00 -3.71 2.61 8.25 0.13 -3.85 115.22 116.19 2kb5 n HIS 15 Ca -0.19 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 2kb5 n HIS 15 Cb 0.85 -0.17 -0.16 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.72 -0.12 -0.29 1.59 1.01 0.95 -0.99 121.20 120.64 2kb5 s ILE 16 Ca 0.18 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 2kb5 s ILE 16 Cb 0.18 -0.18 0.18 0.00 0.01 0.00 0.00 42.46 42.65 2kb5 s ILE 16 CO 0.60 0.13 0.57 -0.94 0.00 0.00 0.00 174.94 175.30 2kb5 s SER 17 N 1.68 -1.15 -0.01 3.58 1.04 -0.69 -4.19 113.70 113.96 2kb5 s SER 17 Ca -0.02 0.85 -0.24 0.00 0.48 0.00 0.00 55.95 57.01 2kb5 s SER 17 Cb -0.12 2.04 -0.17 0.00 0.10 0.00 0.00 66.02 67.86 2kb5 s SER 17 CO -0.04 -0.26 1.20 -0.07 0.98 0.00 0.00 173.24 175.05 2kb5 h LEU 18 N 8.03 -0.23 -5.69 2.42 3.38 -1.80 -3.36 115.31 118.05 2kb5 h LEU 18 Ca -0.22 -0.27 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 2kb5 h LEU 18 Cb 1.15 0.06 -0.42 0.00 0.09 0.00 0.00 40.66 41.55 2kb5 h LEU 18 CO 0.25 0.18 -0.71 -0.46 0.09 0.00 0.00 178.44 177.79 2kb5 n ASN 19 N -5.03 3.65 -4.75 -0.43 0.23 -1.26 -4.90 115.26 102.77 2kb5 n ASN 19 Ca -0.09 -3.49 -0.41 0.00 -0.53 0.00 0.00 54.58 50.07 2kb5 n ASN 19 Cb 0.25 -0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 37.31 2kb5 n ASN 19 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2kb5 s PRO 20 N -2.92 4.42 0.00 -0.53 0.04 -1.26 -5.04 135.00 129.71 2kb5 s PRO 20 Ca 0.44 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2kb5 s PRO 20 Cb 0.24 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2kb5 s PRO 20 CO -0.09 -0.16 0.00 -0.35 0.04 0.00 0.00 177.00 176.44 2kb5 n PRO 21 N 2.00 1.04 -1.91 0.56 -0.04 -1.26 -4.94 135.00 130.44 2kb5 n PRO 21 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 2kb5 n PRO 21 Cb 0.43 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 4.20 0.57 0.54 1.81 -1.26 -4.51 118.95 120.30 2kb5 s ARG 22 Ca 0.00 2.44 0.36 0.00 -1.72 0.00 0.00 55.73 56.81 2kb5 s ARG 22 Cb 0.00 -3.02 1.44 0.00 -0.45 0.00 0.00 34.95 32.92 2kb5 s ARG 22 CO 0.00 -0.44 1.67 0.00 -0.68 0.00 0.00 175.30 175.85 2kb5 h THR 24 N 0.00 1.32 0.00 0.00 2.02 -1.88 -3.21 112.91 111.15 2kb5 h THR 24 Ca 0.55 -2.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 2kb5 h THR 24 Cb 2.50 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 71.56 2kb5 h THR 24 CO -0.01 0.76 -0.16 0.40 0.37 0.00 0.00 175.52 176.88 2kb5 h ILE 25 N 0.26 0.76 -1.36 3.11 2.04 0.32 -3.34 117.51 119.30 2kb5 h ILE 25 Ca -0.16 -1.61 0.43 0.00 1.00 0.00 0.00 64.86 64.51 2kb5 h ILE 25 Cb 1.86 1.48 -0.11 0.00 -0.74 0.00 0.00 36.82 39.30 2kb5 h ILE 25 CO 0.22 0.26 0.90 0.00 0.00 0.00 0.00 178.15 179.53 2kb5 h ALA 26 N -0.58 2.85 -0.12 1.87 0.00 -0.19 1.95 119.26 125.05 2kb5 h ALA 26 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kb5 h ALA 26 Cb 0.54 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2kb5 h ALA 26 CO -0.02 -1.43 0.04 0.00 0.00 0.00 0.00 179.25 177.83 2kb5 n MET 27 N -4.56 1.49 0.00 0.00 0.00 -1.21 -4.06 117.12 108.78 2kb5 n MET 27 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 57.70 57.56 2kb5 n MET 27 Cb 1.44 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 33.18 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 0.15 0.00 0.19 3.17 1.74 0.66 -3.46 116.66 119.11 2kb5 n ARG 28 Ca 0.06 0.15 0.06 0.00 -0.77 0.00 0.00 57.85 57.35 2kb5 n ARG 28 Cb 0.50 -0.56 0.54 0.00 -1.02 0.00 0.00 32.46 31.92 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kb5 h ALA 29 N -2.00 1.82 -0.74 7.54 0.00 -1.76 -2.62 119.26 121.51 2kb5 h ALA 29 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kb5 h ALA 29 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kb5 h ALA 29 CO 0.00 0.14 0.00 -0.89 0.00 0.00 0.00 179.25 178.50 2kb5 n ILE 30 N -4.45 0.00 0.31 0.00 -0.00 -1.26 -2.82 119.36 111.14 2kb5 n ILE 30 Ca -0.02 1.15 0.08 0.00 -0.00 0.00 0.00 62.75 63.97 2kb5 n ILE 30 Cb 0.14 -2.10 0.44 0.00 -0.00 0.00 0.00 39.64 38.12 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 -0.05 4.38 2.35 -1.58 0.18 115.58 120.86 2kb5 h ASN 31 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 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 0.26 -1.13 -1.65 0.00 0.00 177.43 174.91 2kb5 h ASN 32 N 0.00 0.00 0.02 5.81 -1.24 -1.30 0.71 115.58 119.58 2kb5 h ASN 32 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kb5 h ASN 32 Cb 1.18 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.23 2kb5 h ASN 32 CO 0.00 0.00 -0.00 0.10 -1.29 0.00 0.00 177.43 176.24 2kb5 h TYR 33 N 0.00 0.00 -3.69 0.67 -0.00 -0.78 -3.44 116.97 109.73 2kb5 h TYR 33 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.53 2kb5 h TYR 33 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.22 2kb5 h TYR 33 CO 0.00 0.00 -0.09 0.54 -0.00 0.00 0.00 178.16 178.61 2kb5 n ARG 34 N -3.20 0.66 -0.51 0.10 1.74 0.24 -4.65 116.66 111.04 2kb5 n ARG 34 Ca -0.03 -2.42 0.08 0.00 -0.77 0.00 0.00 57.85 54.71 2kb5 n ARG 34 Cb 0.08 2.38 0.29 0.00 -1.02 0.00 0.00 32.46 34.19 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2kb5 n TRP 35 N -0.51 1.16 -4.63 -1.55 7.02 -1.26 -4.93 117.44 112.74 2kb5 n TRP 35 Ca -0.00 -0.73 -0.29 0.00 -1.02 0.00 0.00 57.50 55.46 2kb5 n TRP 35 Cb 0.52 -0.28 -0.08 0.00 -2.42 0.00 0.00 31.31 29.04 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 -2.30 2.03 0.33 -0.99 0.52 -1.26 -4.55 118.95 112.73 2kb5 s ARG 36 Ca 0.43 -2.25 0.08 0.00 -0.52 0.00 0.00 55.73 53.46 2kb5 s ARG 36 Cb 0.31 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 2kb5 s ARG 36 CO 0.14 -0.36 0.24 0.00 0.02 0.00 0.00 175.30 175.35 2kb5 s LYS 38 N -3.94 2.86 0.42 0.00 -0.14 -1.26 -5.01 119.74 112.67 2kb5 s LYS 38 Ca 0.39 -0.78 0.20 0.00 -1.36 0.00 0.00 55.97 54.42 2kb5 s LYS 38 Cb -0.05 -2.68 0.91 0.00 -1.68 0.00 0.00 37.83 34.33 2kb5 s LYS 38 CO 0.25 0.53 1.85 -0.91 -0.76 0.00 0.00 175.35 176.32 2kb5 h ASN 39 N 2.92 0.00 -1.91 2.83 4.21 -1.98 -3.38 115.58 118.27 2kb5 h ASN 39 Ca -0.47 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.22 2kb5 h ASN 39 Cb 1.18 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 38.08 2kb5 h ASN 39 CO 0.64 0.30 0.57 -1.58 -1.29 0.00 0.00 177.43 176.07 2kb5 s GLN 40 N -3.93 0.17 -0.20 0.81 0.74 -1.26 -2.64 119.66 113.35 2kb5 s GLN 40 Ca -0.01 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.67 2kb5 s GLN 40 Cb 0.12 0.07 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 2kb5 s GLN 40 CO 0.67 -0.04 -0.03 1.21 -0.55 0.00 0.00 175.29 176.55 2kb5 s ASN 41 N 1.36 4.54 -0.14 6.67 3.04 -0.90 -4.94 114.94 124.58 2kb5 s ASN 41 Ca -0.07 -0.29 -0.01 0.00 0.04 0.00 0.00 52.86 52.53 2kb5 s ASN 41 Cb -0.03 -1.77 -0.02 0.00 -1.54 0.00 0.00 41.25 37.90 2kb5 s ASN 41 CO -0.13 0.05 -0.10 -0.89 -3.04 0.00 0.00 177.10 172.99 2kb5 s THR 42 N 1.09 3.33 -0.20 -5.21 2.01 -1.26 0.24 115.64 115.63 2kb5 s THR 42 Ca 0.02 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2kb5 s THR 42 Cb -0.15 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 69.98 2kb5 s THR 42 CO 0.00 0.51 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 2kb5 s PHE 43 N 0.41 2.37 0.00 4.92 0.40 0.19 -3.84 117.98 122.44 2kb5 s PHE 43 Ca -0.08 -1.59 -0.29 0.00 -0.60 0.00 0.00 56.93 54.37 2kb5 s PHE 43 Cb -0.15 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 2kb5 s PHE 43 CO 0.04 -0.74 0.92 -0.51 0.70 0.00 0.00 175.22 175.64 2kb5 s LEU 44 N 1.41 4.38 -1.18 -0.37 1.43 -0.16 0.40 118.68 124.59 2kb5 s LEU 44 Ca -0.02 1.59 -0.21 0.00 -1.03 0.00 0.00 54.13 54.46 2kb5 s LEU 44 Cb -0.17 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2kb5 s LEU 44 CO -0.08 -0.20 1.90 0.54 0.23 0.00 0.00 176.35 178.74 2kb5 n ARG 45 N 3.71 2.10 -3.54 1.70 5.12 -0.85 -1.70 116.66 123.19 2kb5 n ARG 45 Ca 0.04 -2.62 -0.07 0.00 -1.93 0.00 0.00 57.85 53.27 2kb5 n ARG 45 Cb 0.51 -3.54 -0.02 0.00 -1.16 0.00 0.00 32.46 28.25 2kb5 n ARG 45 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2kb5 s THR 46 N 7.96 0.00 0.91 0.55 -1.32 -1.26 -4.73 115.64 117.75 2kb5 s THR 46 Ca 0.62 -0.08 -0.13 0.00 -1.21 0.00 0.00 61.69 60.89 2kb5 s THR 46 Cb 0.03 -1.13 0.18 0.00 -1.51 0.00 0.00 72.50 70.07 2kb5 s THR 46 CO 0.11 0.00 1.25 -0.89 -2.21 0.00 0.00 174.62 172.88 2kb5 s THR 47 N -3.09 2.03 0.18 5.08 2.01 -1.26 -4.28 115.64 116.30 2kb5 s THR 47 Ca 0.06 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2kb5 s THR 47 Cb -0.01 -2.90 -0.12 0.00 0.01 0.00 0.00 72.50 69.48 2kb5 s THR 47 CO -0.07 0.00 1.42 0.15 -0.69 0.00 0.00 174.62 175.43 2kb5 h PHE 48 N -1.40 0.41 -0.23 4.92 3.57 -1.98 -3.19 116.94 119.04 2kb5 h PHE 48 Ca -0.43 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 60.86 2kb5 h PHE 48 Cb 1.24 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2kb5 h PHE 48 CO -0.92 0.96 0.07 0.00 -2.23 0.00 0.00 178.31 176.20 2kb5 h ALA 49 N 0.98 0.30 0.00 2.41 0.00 -1.99 0.12 119.26 121.07 2kb5 h ALA 49 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kb5 h ALA 49 Cb 1.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kb5 h ALA 49 CO 0.13 -0.08 -0.01 -0.91 0.00 0.00 0.00 179.25 178.38 2kb5 h ASN 50 N 0.20 0.00 0.08 0.00 2.35 -1.95 -2.54 115.58 113.73 2kb5 h ASN 50 Ca 0.07 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.50 2kb5 h ASN 50 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2kb5 h ASN 50 CO -0.00 0.01 -1.79 0.52 -1.65 0.00 0.00 177.43 174.51 2kb5 n VAL 51 N -3.19 1.70 -0.31 2.81 0.31 -0.88 -4.14 118.33 114.63 2kb5 n VAL 51 Ca -0.03 -0.46 0.26 0.00 -0.01 0.00 0.00 64.34 64.10 2kb5 n VAL 51 Cb 0.10 -1.83 0.57 0.00 -0.91 0.00 0.00 33.84 31.78 2kb5 n VAL 51 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2kb5 h VAL 52 N -0.27 0.50 -0.47 2.52 2.07 -0.35 0.43 116.25 120.68 2kb5 h VAL 52 Ca -0.41 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2kb5 h VAL 52 Cb 1.81 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2kb5 h VAL 52 CO -0.01 0.05 0.01 -1.13 0.02 0.00 0.00 177.57 176.51 2kb5 h ASN 53 N 0.28 0.73 -0.14 0.57 -1.24 -1.69 -2.31 115.58 111.79 2kb5 h ASN 53 Ca 0.58 -0.17 0.04 0.00 0.71 0.00 0.00 56.30 57.46 2kb5 h ASN 53 Cb 1.68 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.53 2kb5 h ASN 53 CO -0.22 0.80 0.15 0.58 -1.29 0.00 0.00 177.43 177.44 2kb5 h VAL 54 N 0.72 0.56 0.00 2.57 2.07 -0.30 -0.25 116.25 121.62 2kb5 h VAL 54 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2kb5 h VAL 54 Cb 0.43 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2kb5 h VAL 54 CO 0.02 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.67 2kb5 n GLY 56 N -1.29 1.47 3.71 0.00 0.00 -0.11 -4.91 105.19 104.06 2kb5 n GLY 56 Ca -0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.73 3.36 -0.84 1.61 0.01 0.27 -4.79 114.94 113.83 2kb5 s ASN 57 Ca 0.05 1.51 -0.29 0.00 -0.71 0.00 0.00 52.86 53.42 2kb5 s ASN 57 Cb 0.03 -2.18 -0.17 0.00 0.41 0.00 0.00 41.25 39.33 2kb5 s ASN 57 CO 0.04 -2.72 2.60 1.67 -1.51 0.00 0.00 177.10 177.18 2kb5 n GLN 58 N -3.93 0.34 -1.72 -0.60 -0.06 -1.26 -4.74 117.38 105.40 2kb5 n GLN 58 Ca 0.07 -0.01 -0.34 0.00 -2.00 0.00 0.00 57.00 54.72 2kb5 n GLN 58 Cb 0.55 -2.13 0.06 0.00 -4.06 0.00 0.00 30.24 24.65 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2kb5 s SER 59 N 9.87 4.87 0.36 1.69 1.04 -1.26 -3.86 113.70 126.41 2kb5 s SER 59 Ca 1.23 2.16 -0.16 0.00 0.48 0.00 0.00 55.95 59.65 2kb5 s SER 59 Cb -0.89 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 62.70 2kb5 s SER 59 CO 0.41 -1.79 0.76 0.27 0.98 0.00 0.00 173.24 173.87 2kb5 s ILE 60 N -2.12 0.00 -0.29 -1.02 -4.36 -1.18 -4.97 121.20 107.25 2kb5 s ILE 60 Ca 0.70 -1.03 -0.29 0.00 -0.26 0.00 0.00 60.65 59.78 2kb5 s ILE 60 Cb -0.24 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.81 2kb5 s ILE 60 CO 0.41 0.00 1.42 -0.13 0.24 0.00 0.00 174.94 176.88 2kb5 s ARG 61 N -2.74 3.82 0.57 0.37 0.52 -1.26 -4.47 118.95 115.77 2kb5 s ARG 61 Ca 0.15 1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 56.50 2kb5 s ARG 61 Cb -0.05 -3.95 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 2kb5 s ARG 61 CO 0.11 -1.24 1.26 0.00 0.02 0.00 0.00 175.30 175.45 2kb5 h PRO 63 N 1.12 0.29 0.00 0.00 0.13 -1.94 -2.85 132.00 128.75 2kb5 h PRO 63 Ca -0.51 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.45 2kb5 h PRO 63 Cb 1.30 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kb5 h PRO 63 CO 0.56 0.70 -0.11 1.25 -0.23 0.00 0.00 178.00 180.16 2kb5 h HIS 64 N 0.24 0.00 -2.63 1.56 2.76 -1.94 -3.40 115.15 111.74 2kb5 h HIS 64 Ca 0.02 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.85 2kb5 h HIS 64 Cb 0.91 0.00 -0.37 0.00 1.55 0.00 0.00 27.41 29.50 2kb5 h HIS 64 CO 0.02 0.11 -0.64 -0.80 -1.30 0.00 0.00 177.93 175.32 2kb5 s ASN 65 N -6.01 1.47 0.00 3.26 0.01 -1.08 -4.99 114.94 107.60 2kb5 s ASN 65 Ca -0.02 -0.24 0.17 0.00 -0.71 0.00 0.00 52.86 52.06 2kb5 s ASN 65 Cb 0.12 0.29 1.02 0.00 0.41 0.00 0.00 41.25 43.10 2kb5 s ASN 65 CO 0.57 -0.32 1.43 -2.11 -1.51 0.00 0.00 177.10 175.15 2kb5 n ARG 66 N 5.31 0.54 -0.00 -0.60 1.85 -1.25 -3.26 116.66 119.26 2kb5 n ARG 66 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2kb5 n ARG 66 Cb 0.49 -1.49 -0.00 0.00 -1.05 0.00 0.00 32.46 30.41 2kb5 n ARG 66 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2kb5 n THR 67 N -0.99 0.02 -2.13 8.89 5.66 -1.26 -5.00 114.28 119.47 2kb5 n THR 67 Ca 0.13 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.70 2kb5 n THR 67 Cb 0.06 -0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 67.90 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 -5.42 4.33 -0.54 1.09 0.20 -1.20 -4.95 118.68 112.17 2kb5 s LEU 68 Ca -0.00 2.21 0.07 0.00 0.69 0.00 0.00 54.13 57.10 2kb5 s LEU 68 Cb 0.00 -3.56 0.27 0.00 -0.43 0.00 0.00 46.19 42.47 2kb5 s LEU 68 CO 0.01 -0.78 0.70 0.59 -0.29 0.00 0.00 176.35 176.58 2kb5 n ASN 69 N 5.60 2.61 -1.42 3.68 3.02 -1.26 -3.39 115.26 124.09 2kb5 n ASN 69 Ca 0.14 -3.22 -0.03 0.00 -0.03 0.00 0.00 54.58 51.44 2kb5 n ASN 69 Cb 0.43 -0.65 0.10 0.00 -0.61 0.00 0.00 39.78 39.05 2kb5 n ASN 69 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kb5 n ASN 70 N 0.85 2.38 -4.19 6.41 4.13 -1.26 -4.91 115.26 118.66 2kb5 n ASN 70 Ca 0.27 -3.25 -0.12 0.00 1.68 0.00 0.00 54.58 53.16 2kb5 n ASN 70 Cb 0.46 -0.43 -0.10 0.00 -1.54 0.00 0.00 39.78 38.17 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 -3.63 0.85 -0.11 0.00 0.09 -1.05 -3.11 115.29 108.33 2kb5 s HIS 72 Ca 0.16 -0.17 -0.18 0.00 -0.00 0.00 0.00 55.06 54.87 2kb5 s HIS 72 Cb 0.05 -0.54 -0.04 0.00 -0.00 0.00 0.00 32.58 32.05 2kb5 s HIS 72 CO -0.02 -0.01 0.46 0.50 -0.00 0.00 0.00 174.74 175.67 2kb5 s ARG 73 N -0.29 4.31 0.80 1.40 3.52 -1.25 -3.34 118.95 124.10 2kb5 s ARG 73 Ca 0.03 0.43 -0.16 0.00 -0.13 0.00 0.00 55.73 55.90 2kb5 s ARG 73 Cb -0.04 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2kb5 s ARG 73 CO -0.00 0.20 0.22 0.43 -0.81 0.00 0.00 175.30 175.33 2kb5 n SER 74 N 3.54 -2.44 -0.03 -2.12 7.64 -1.17 -4.56 113.62 114.48 2kb5 n SER 74 Ca -0.08 0.47 -0.22 0.00 1.01 0.00 0.00 58.87 60.06 2kb5 n SER 74 Cb 0.52 -1.10 -0.13 0.00 -1.01 0.00 0.00 64.21 62.48 2kb5 n SER 74 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kb5 n ARG 75 N -0.19 0.70 -4.87 1.43 1.85 -1.26 -4.89 116.66 109.43 2kb5 n ARG 75 Ca 0.07 0.36 -0.33 0.00 -1.00 0.00 0.00 57.85 56.95 2kb5 n ARG 75 Cb 0.51 -1.72 -0.13 0.00 -1.05 0.00 0.00 32.46 30.08 2kb5 n ARG 75 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2kb5 s PHE 76 N -2.50 2.72 0.39 2.89 0.40 -1.26 -5.11 117.98 115.52 2kb5 s PHE 76 Ca -0.25 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 55.67 2kb5 s PHE 76 Cb 0.07 -1.64 -0.09 0.00 0.51 0.00 0.00 43.02 41.87 2kb5 s PHE 76 CO 0.71 0.19 1.14 1.03 0.70 0.00 0.00 175.22 178.99 2kb5 s ARG 77 N -0.71 4.10 0.04 0.44 0.52 -1.26 -4.81 118.95 117.27 2kb5 s ARG 77 Ca 0.11 1.78 0.01 0.00 -0.52 0.00 0.00 55.73 57.11 2kb5 s ARG 77 Cb -0.11 -2.68 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 2kb5 s ARG 77 CO 0.01 -0.26 -0.05 0.14 0.02 0.00 0.00 175.30 175.16 2kb5 s VAL 78 N -1.44 0.30 -0.55 3.52 -7.23 -1.23 -4.91 120.40 108.86 2kb5 s VAL 78 Ca 0.56 -1.13 -0.27 0.00 -1.81 0.00 0.00 61.98 59.33 2kb5 s VAL 78 Cb -0.29 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 2kb5 s VAL 78 CO 0.37 -0.54 1.82 -2.16 -0.31 0.00 0.00 175.10 174.28 2kb5 s PRO 79 N -1.92 2.82 0.63 4.82 0.04 -1.26 -2.41 135.00 137.71 2kb5 s PRO 79 Ca -0.10 0.78 0.01 0.00 0.04 0.00 0.00 61.00 61.74 2kb5 s PRO 79 Cb -0.07 -4.33 0.08 0.00 0.04 0.00 0.00 34.50 30.22 2kb5 s PRO 79 CO -0.02 -2.50 0.87 -0.48 0.04 0.00 0.00 177.00 174.91 2kb5 s LEU 80 N 8.45 3.13 0.03 -3.56 0.05 0.17 -2.00 118.68 124.94 2kb5 s LEU 80 Ca 0.69 -0.25 0.05 0.00 0.05 0.00 0.00 54.13 54.67 2kb5 s LEU 80 Cb -0.14 -2.36 -0.02 0.00 -2.05 0.00 0.00 46.19 41.62 2kb5 s LEU 80 CO 0.24 -1.48 -0.14 -0.76 -0.55 0.00 0.00 176.35 173.66 2kb5 s LEU 81 N -4.92 2.14 -0.04 1.48 2.01 0.16 -2.43 118.68 117.08 2kb5 s LEU 81 Ca 0.62 -0.41 0.05 0.00 0.01 0.00 0.00 54.13 54.39 2kb5 s LEU 81 Cb -0.08 -0.64 -0.01 0.00 0.01 0.00 0.00 46.19 45.48 2kb5 s LEU 81 CO 0.41 0.07 -0.19 -1.00 1.01 0.00 0.00 176.35 176.65 2kb5 s HIS 82 N -0.73 1.82 -0.47 0.29 3.76 -0.78 -0.63 115.29 118.55 2kb5 s HIS 82 Ca 0.03 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.50 2kb5 s HIS 82 Cb -0.07 -1.21 0.23 0.00 1.11 0.00 0.00 32.58 32.64 2kb5 s HIS 82 CO 0.01 -0.15 0.55 0.00 -0.85 0.00 0.00 174.74 174.29 2kb5 s ASP 84 N -1.33 6.80 -0.54 0.00 -1.08 -1.15 -2.11 116.67 117.27 2kb5 s ASP 84 Ca 0.35 2.56 -0.26 0.00 -0.52 0.00 0.00 52.55 54.68 2kb5 s ASP 84 Cb 0.14 -2.64 -0.05 0.00 -1.46 0.00 0.00 42.92 38.91 2kb5 s ASP 84 CO -0.10 -0.50 2.19 -0.22 0.52 0.00 0.00 175.17 177.05 2kb5 s LEU 85 N -1.87 3.36 0.05 -1.34 2.96 -1.08 -0.32 118.68 120.44 2kb5 s LEU 85 Ca 0.50 0.80 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 2kb5 s LEU 85 Cb -0.37 -2.53 0.17 0.00 0.50 0.00 0.00 46.19 43.96 2kb5 s LEU 85 CO 0.48 -2.67 1.07 -0.38 -1.32 0.00 0.00 176.35 173.54 2kb5 n ILE 86 N 7.68 1.74 -3.70 6.68 5.41 0.13 -3.67 119.36 133.62 2kb5 n ILE 86 Ca 0.30 0.54 -0.36 0.00 1.00 0.00 0.00 62.75 64.23 2kb5 n ILE 86 Cb 0.54 -1.54 -0.09 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 -3.10 5.46 -0.30 4.38 0.01 -1.25 -4.99 114.94 115.15 2kb5 s ASN 87 Ca -0.00 -3.25 -0.29 0.00 -0.71 0.00 0.00 52.86 48.61 2kb5 s ASN 87 Cb 0.01 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 2kb5 s ASN 87 CO 0.03 -0.28 1.66 -2.16 -1.51 0.00 0.00 177.10 174.84 2kb5 s PRO 88 N -0.64 3.56 0.00 -0.60 0.04 -1.24 -2.25 135.00 133.87 2kb5 s PRO 88 Ca 0.21 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2kb5 s PRO 88 Cb -0.15 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2kb5 s PRO 88 CO -0.07 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2kb5 n GLY 89 N 5.07 0.54 3.84 0.56 0.00 -1.26 -5.09 105.19 108.85 2kb5 n GLY 89 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 3.59 -0.46 4.61 0.00 -0.96 -5.04 121.76 121.51 2kb5 s ALA 90 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.93 2kb5 s ALA 90 Cb 0.00 -2.53 0.26 0.00 0.00 0.00 0.00 23.12 20.85 2kb5 s ALA 90 CO 0.00 0.45 0.62 1.04 0.00 0.00 0.00 175.76 177.87 2kb5 n GLN 91 N 1.05 1.34 -3.53 0.00 3.00 -1.26 -4.79 117.38 113.19 2kb5 n GLN 91 Ca -0.07 -3.70 -0.06 0.00 -0.01 0.00 0.00 57.00 53.16 2kb5 n GLN 91 Cb 0.52 -1.59 -0.07 0.00 0.00 0.00 0.00 30.24 29.10 2kb5 n GLN 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2kb5 s ASN 92 N -1.75 -0.44 0.24 1.08 2.20 -1.26 -4.81 114.94 110.19 2kb5 s ASN 92 Ca 0.37 0.93 -0.06 0.00 -0.94 0.00 0.00 52.86 53.16 2kb5 s ASN 92 Cb 0.19 1.57 0.24 0.00 -2.00 0.00 0.00 41.25 41.25 2kb5 s ASN 92 CO -0.08 -0.25 1.90 0.16 -2.94 0.00 0.00 177.10 175.89 2kb5 h ILE 93 N 6.12 1.26 0.31 0.54 3.07 -1.83 -1.47 117.51 125.51 2kb5 h ILE 93 Ca -0.18 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2kb5 h ILE 93 Cb 1.12 -0.11 -0.02 0.00 -0.27 0.00 0.00 36.82 37.54 2kb5 h ILE 93 CO 0.16 0.27 -0.32 0.28 -1.05 0.00 0.00 178.15 177.49 2kb5 h SER 94 N 1.32 -0.87 -1.13 2.16 0.02 -1.96 -2.66 113.55 110.44 2kb5 h SER 94 Ca 0.35 0.08 -0.64 0.00 -0.84 0.00 0.00 61.79 60.73 2kb5 h SER 94 Cb -0.08 0.30 -0.26 0.00 0.14 0.00 0.00 62.40 62.50 2kb5 h SER 94 CO -0.07 -0.45 0.83 0.59 -1.14 0.00 0.00 176.83 176.60 2kb5 n ASN 95 N -5.43 7.47 -4.62 3.07 3.02 -1.13 -4.94 115.26 112.70 2kb5 n ASN 95 Ca -0.09 -3.68 -0.39 0.00 -0.03 0.00 0.00 54.58 50.39 2kb5 n ASN 95 Cb 0.34 -1.02 -0.09 0.00 -0.61 0.00 0.00 39.78 38.40 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 1.97 3.42 0.01 0.00 0.52 -1.26 -4.88 118.95 118.73 2kb5 s ARG 97 Ca 0.17 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 55.05 2kb5 s ARG 97 Cb -0.16 -2.96 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 2kb5 s ARG 97 CO 0.09 0.50 -0.19 0.71 0.02 0.00 0.00 175.30 176.44 2kb5 s TYR 98 N -0.31 1.69 -0.41 -0.53 2.02 -1.26 0.17 117.35 118.71 2kb5 s TYR 98 Ca 0.07 -0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 56.29 2kb5 s TYR 98 Cb -0.12 -1.05 0.03 0.00 -0.40 0.00 0.00 41.96 40.42 2kb5 s TYR 98 CO 0.02 0.02 0.28 0.00 -1.57 0.00 0.00 175.55 174.30 2kb5 s ALA 99 N -0.60 3.43 -0.26 3.71 0.00 0.56 -4.70 121.76 123.89 2kb5 s ALA 99 Ca 0.07 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 49.96 2kb5 s ALA 99 Cb -0.08 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 2kb5 s ALA 99 CO 0.00 -1.48 1.32 0.16 0.00 0.00 0.00 175.76 175.76 2kb5 s ASP 100 N 1.75 6.71 -0.27 0.00 -4.77 -1.24 -2.94 116.67 115.91 2kb5 s ASP 100 Ca 0.04 1.35 -0.02 0.00 -3.30 0.00 0.00 52.55 50.62 2kb5 s ASP 100 Cb -0.20 -2.54 0.09 0.00 -1.09 0.00 0.00 42.92 39.18 2kb5 s ASP 100 CO 0.09 -1.02 0.09 -0.60 0.70 0.00 0.00 175.17 174.43 2kb5 s ARG 101 N 4.05 0.54 0.98 2.11 6.06 0.73 -4.95 118.95 128.46 2kb5 s ARG 101 Ca 0.57 -0.74 -0.12 0.00 -2.50 0.00 0.00 55.73 52.94 2kb5 s ARG 101 Cb -0.18 -1.79 0.18 0.00 0.06 0.00 0.00 34.95 33.21 2kb5 s ARG 101 CO 0.22 -0.90 1.09 -1.25 -2.50 0.00 0.00 175.30 171.95 2kb5 s PRO 102 N 1.82 0.60 0.00 5.12 0.04 -1.26 -1.86 135.00 139.45 2kb5 s PRO 102 Ca 0.07 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2kb5 s PRO 102 Cb -0.17 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2kb5 s PRO 102 CO -0.24 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.58 2kb5 n GLY 103 N -1.07 1.74 3.31 0.56 0.00 -1.02 -4.91 105.19 103.81 2kb5 n GLY 103 Ca 0.06 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 2.73 0.06 1.61 3.52 -1.26 0.43 118.95 124.04 2kb5 s ARG 104 Ca 0.00 -1.12 -0.26 0.00 -0.13 0.00 0.00 55.73 54.22 2kb5 s ARG 104 Cb 0.00 -3.54 0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2kb5 s ARG 104 CO 0.00 -0.65 0.76 1.03 -0.81 0.00 0.00 175.30 175.63 2kb5 s ARG 105 N 1.46 1.02 0.59 5.12 0.52 -1.01 -4.88 118.95 121.76 2kb5 s ARG 105 Ca -0.00 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 2kb5 s ARG 105 Cb -0.19 0.47 0.15 0.00 0.52 0.00 0.00 34.95 35.89 2kb5 s ARG 105 CO 0.04 -0.44 0.48 1.19 0.02 0.00 0.00 175.30 176.60 2kb5 n PHE 106 N -0.25 -3.30 -3.70 -0.53 3.01 -1.24 -3.58 117.46 107.88 2kb5 n PHE 106 Ca -0.13 -0.44 -0.11 0.00 1.01 0.00 0.00 57.45 57.79 2kb5 n PHE 106 Cb 0.63 -0.53 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 2kb5 n PHE 106 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2kb5 s TYR 107 N -1.84 -0.60 -0.50 1.38 -0.85 -1.26 -1.36 117.35 112.32 2kb5 s TYR 107 Ca 0.32 1.28 -0.16 0.00 -0.52 0.00 0.00 57.07 57.99 2kb5 s TYR 107 Cb -0.04 0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.65 2kb5 s TYR 107 CO 0.25 -0.33 0.47 0.08 -1.52 0.00 0.00 175.55 174.50 2kb5 s VAL 108 N 1.28 5.15 0.17 -3.49 1.01 0.25 -3.04 120.40 121.74 2kb5 s VAL 108 Ca -0.09 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 60.91 2kb5 s VAL 108 Cb -0.08 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2kb5 s VAL 108 CO -0.12 -0.70 -0.07 -0.69 0.00 0.00 0.00 175.10 173.52 2kb5 s VAL 109 N 1.84 3.34 -0.34 2.92 1.01 -1.21 -0.26 120.40 127.70 2kb5 s VAL 109 Ca 0.06 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.46 2kb5 s VAL 109 Cb -0.25 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.55 2kb5 s VAL 109 CO 0.07 -0.09 0.07 0.00 0.00 0.00 0.00 175.10 175.15 2kb5 s ALA 110 N -1.67 2.94 -0.05 5.51 0.00 0.43 -2.52 121.76 126.40 2kb5 s ALA 110 Ca 0.25 -2.11 -0.21 0.00 0.00 0.00 0.00 51.96 49.90 2kb5 s ALA 110 Cb -0.09 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 2kb5 s ALA 110 CO 0.16 -1.50 0.59 0.00 0.00 0.00 0.00 175.76 175.01 2kb5 s ASP 112 N 0.26 1.25 -0.15 0.00 2.15 -0.84 -4.82 116.67 114.53 2kb5 s ASP 112 Ca 0.31 -1.21 -0.34 0.00 0.43 0.00 0.00 52.55 51.74 2kb5 s ASP 112 Cb -0.17 0.12 -0.11 0.00 -0.30 0.00 0.00 42.92 42.45 2kb5 s ASP 112 CO 0.16 -0.59 1.94 0.59 -0.17 0.00 0.00 175.17 177.09 2kb5 n ASN 113 N -0.29 3.20 -4.88 -0.34 4.13 -1.26 -3.04 115.26 112.78 2kb5 n ASN 113 Ca -0.05 0.85 -0.25 0.00 1.68 0.00 0.00 54.58 56.80 2kb5 n ASN 113 Cb 0.64 -1.35 -0.02 0.00 -1.54 0.00 0.00 39.78 37.50 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 4.51 2.29 0.04 3.52 1.04 -1.24 -4.98 118.95 124.13 2kb5 s ARG 114 Ca 0.96 -1.94 -0.31 0.00 -1.04 0.00 0.00 55.73 53.41 2kb5 s ARG 114 Cb -0.71 -2.11 -0.07 0.00 -2.04 0.00 0.00 34.95 30.01 2kb5 s ARG 114 CO 0.51 -0.49 1.53 0.34 -0.04 0.00 0.00 175.30 177.15 2kb5 s ASP 115 N -4.21 6.72 0.00 -2.89 -1.08 -1.26 -4.87 116.67 109.09 2kb5 s ASP 115 Ca 0.36 2.32 0.09 0.00 -0.52 0.00 0.00 52.55 54.80 2kb5 s ASP 115 Cb -0.02 -2.56 0.51 0.00 -1.46 0.00 0.00 42.92 39.39 2kb5 s ASP 115 CO 0.22 -0.80 0.96 -0.81 0.52 0.00 0.00 175.17 175.26 2kb5 n PRO 116 N 5.37 0.49 0.01 4.34 -0.04 -1.26 -2.07 135.00 141.84 2kb5 n PRO 116 Ca 0.14 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2kb5 n PRO 116 Cb 0.42 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.47 2kb5 n PRO 116 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kb5 n ARG 117 N -0.78 0.65 -0.02 0.54 1.85 -1.26 -4.19 116.66 113.45 2kb5 n ARG 117 Ca 0.06 -0.11 -0.21 0.00 -1.00 0.00 0.00 57.85 56.60 2kb5 n ARG 117 Cb 0.03 -1.59 -0.13 0.00 -1.05 0.00 0.00 32.46 29.71 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 -2.39 2.09 -3.68 2.89 9.92 -0.88 -4.80 116.55 119.70 2kb5 n ASP 118 Ca -0.05 0.17 -0.30 0.00 -0.53 0.00 0.00 54.79 54.08 2kb5 n ASP 118 Cb 0.61 -0.80 -0.14 0.00 -0.64 0.00 0.00 41.12 40.15 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 -6.96 3.78 -0.02 -2.24 0.15 -1.20 -5.01 113.70 102.21 2kb5 s SER 119 Ca -0.25 -1.84 -0.25 0.00 0.70 0.00 0.00 55.95 54.31 2kb5 s SER 119 Cb 0.07 -0.78 -0.19 0.00 -1.71 0.00 0.00 66.02 63.41 2kb5 s SER 119 CO 0.73 -0.38 1.23 1.55 1.20 0.00 0.00 173.24 177.57 2kb5 h PRO 120 N 7.76 -0.07 0.59 5.44 0.13 -1.87 -3.36 132.00 140.62 2kb5 h PRO 120 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 2kb5 h PRO 120 Cb 0.99 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.14 2kb5 h PRO 120 CO 0.45 0.39 -0.28 0.07 -0.23 0.00 0.00 178.00 178.40 2kb5 h ARG 121 N -0.55 -0.76 -6.42 0.86 0.11 -1.94 -3.41 114.38 102.26 2kb5 h ARG 121 Ca -0.01 0.05 -0.57 0.00 0.10 0.00 0.00 59.98 59.55 2kb5 h ARG 121 Cb 0.49 0.17 -0.07 0.00 1.11 0.00 0.00 29.97 31.67 2kb5 h ARG 121 CO 0.01 -0.45 0.84 0.71 0.10 0.00 0.00 179.97 181.18 2kb5 s TYR 122 N -4.74 3.02 -0.02 4.08 2.02 -1.26 -4.93 117.35 115.52 2kb5 s TYR 122 Ca -0.14 0.97 -0.25 0.00 -0.37 0.00 0.00 57.07 57.27 2kb5 s TYR 122 Cb 0.02 -3.95 -0.20 0.00 -0.40 0.00 0.00 41.96 37.43 2kb5 s TYR 122 CO 0.47 -0.95 1.22 -1.00 -1.57 0.00 0.00 175.55 173.72 2kb5 h PRO 123 N 8.54 -0.06 -6.15 -1.71 0.13 -1.80 -3.43 132.00 127.53 2kb5 h PRO 123 Ca -0.22 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.39 2kb5 h PRO 123 Cb 1.06 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2kb5 h PRO 123 CO 1.06 0.41 -0.50 0.54 -0.23 0.00 0.00 178.00 179.28 2kb5 s VAL 124 N -4.20 4.88 0.02 1.56 0.11 -1.26 -3.61 120.40 117.90 2kb5 s VAL 124 Ca -0.15 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 57.76 2kb5 s VAL 124 Cb 0.02 -3.55 0.02 0.00 -1.53 0.00 0.00 36.38 31.33 2kb5 s VAL 124 CO 0.64 -0.18 0.30 0.68 -3.33 0.00 0.00 175.10 173.21 2kb5 s VAL 125 N -1.85 0.08 0.06 2.04 -7.23 -1.17 -4.91 120.40 107.41 2kb5 s VAL 125 Ca 0.33 -0.63 -0.31 0.00 -1.81 0.00 0.00 61.98 59.56 2kb5 s VAL 125 Cb -0.10 -0.83 -0.07 0.00 0.56 0.00 0.00 36.38 35.95 2kb5 s VAL 125 CO 0.26 -0.35 1.41 -2.16 -0.31 0.00 0.00 175.10 173.95 2kb5 s PRO 126 N -2.15 4.30 -0.02 4.82 0.04 -1.26 -1.98 135.00 138.75 2kb5 s PRO 126 Ca -0.08 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2kb5 s PRO 126 Cb -0.02 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 31.13 2kb5 s PRO 126 CO -0.01 -0.51 0.82 1.33 0.04 0.00 0.00 177.00 178.67 2kb5 n VAL 127 N 4.33 0.41 -3.56 -0.36 0.24 -0.94 -4.55 118.33 113.90 2kb5 n VAL 127 Ca 0.12 -0.46 -0.01 0.00 -2.04 0.00 0.00 64.34 61.95 2kb5 n VAL 127 Cb 0.43 0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 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 -0.54 -0.91 -0.30 6.34 5.65 -1.24 -4.99 115.29 119.31 2kb5 s HIS 128 Ca 0.04 1.65 -0.05 0.00 0.25 0.00 0.00 55.06 56.95 2kb5 s HIS 128 Cb 0.04 0.55 0.03 0.00 -1.18 0.00 0.00 32.58 32.01 2kb5 s HIS 128 CO 0.00 -0.45 0.05 -1.17 -0.65 0.00 0.00 174.74 172.52 2kb5 s LEU 129 N 2.23 3.85 -0.02 8.88 1.98 -1.26 -0.42 118.68 133.92 2kb5 s LEU 129 Ca -0.06 -0.94 -0.18 0.00 -2.89 0.00 0.00 54.13 50.06 2kb5 s LEU 129 Cb -0.07 -1.81 -0.10 0.00 0.66 0.00 0.00 46.19 44.87 2kb5 s LEU 129 CO -0.18 -0.22 0.78 -0.78 -1.89 0.00 0.00 176.35 174.06 2kb5 h ASP 130 N 8.15 -0.56 -1.49 3.68 1.82 -1.01 -3.49 116.42 123.52 2kb5 h ASP 130 Ca -0.28 0.02 0.15 0.00 -0.39 0.00 0.00 57.03 56.53 2kb5 h ASP 130 Cb 1.10 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 41.23 2kb5 h ASP 130 CO 0.59 -0.16 0.44 1.07 -1.61 0.00 0.00 179.24 179.57 2kb5 n THR 131 N -5.11 0.00 -3.98 2.25 5.66 -1.25 -5.01 114.28 106.84 2kb5 n THR 131 Ca -0.08 -0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.41 2kb5 n THR 131 Cb 0.26 0.38 -0.16 0.00 -1.55 0.00 0.00 70.33 69.27 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 -2.16 1.66 -2.25 1.09 -4.23 -1.26 -0.59 115.64 107.90 2kb5 s THR 132 Ca 0.16 -1.17 0.18 0.00 -1.18 0.00 0.00 61.69 59.68 2kb5 s THR 132 Cb -0.01 -1.82 0.14 0.00 1.34 0.00 0.00 72.50 72.16 2kb5 s THR 132 CO 0.01 0.04 1.07 -0.38 -0.54 0.00 0.00 174.62 174.82