#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 0.41 0.00 -0.14 0.04 -1.26 -4.90 135.00 129.15 2kb5 s PRO 2 Ca 0.00 0.52 0.15 0.00 0.04 0.00 0.00 61.00 61.71 2kb5 s PRO 2 Cb 0.00 -1.73 0.89 0.00 0.04 0.00 0.00 34.50 33.70 2kb5 s PRO 2 CO 0.00 -2.75 1.36 -0.35 0.04 0.00 0.00 177.00 175.30 2kb5 n PRO 3 N -4.19 0.43 0.00 0.56 -0.04 -1.26 -1.77 135.00 128.73 2kb5 n PRO 3 Ca 0.05 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 2kb5 n PRO 3 Cb 0.57 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.06 1.12 -3.73 0.54 6.02 -1.26 -4.94 117.38 114.08 2kb5 n GLN 4 Ca 0.11 -1.35 -0.13 0.00 -0.01 0.00 0.00 57.00 55.61 2kb5 n GLN 4 Cb 0.07 -1.28 -0.14 0.00 1.02 0.00 0.00 30.24 29.91 2kb5 n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kb5 s PHE 5 N -1.28 -0.25 0.44 1.08 0.08 -0.73 -5.07 117.98 112.26 2kb5 s PHE 5 Ca 0.17 0.65 -0.07 0.00 0.12 0.00 0.00 56.93 57.79 2kb5 s PHE 5 Cb 0.12 -0.04 0.11 0.00 -0.57 0.00 0.00 43.02 42.64 2kb5 s PHE 5 CO 0.20 -0.21 0.48 0.25 -0.10 0.00 0.00 175.22 175.84 2kb5 n THR 6 N 4.39 0.00 0.07 0.64 -2.24 -1.26 -2.95 114.28 112.92 2kb5 n THR 6 Ca -0.23 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 2kb5 n THR 6 Cb 0.52 -1.44 -0.00 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.35 0.00 -0.78 -0.00 -1.96 -2.98 114.38 109.00 2kb5 h ARG 7 Ca -0.17 -0.34 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 2kb5 h ARG 7 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.54 2kb5 h ARG 7 CO 0.11 1.00 -0.28 0.00 0.00 0.00 0.00 179.97 180.81 2kb5 h ALA 8 N 0.89 0.00 -1.06 0.04 0.00 -1.94 -3.12 119.26 114.06 2kb5 h ALA 8 Ca -0.05 -0.36 0.31 0.00 0.00 0.00 0.00 54.91 54.81 2kb5 h ALA 8 Cb 1.44 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 2kb5 h ALA 8 CO 0.14 0.28 0.97 -0.56 0.00 0.00 0.00 179.25 180.09 2kb5 h GLN 9 N -0.63 0.00 0.00 0.00 -0.00 -1.87 1.58 115.11 114.18 2kb5 h GLN 9 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.41 2kb5 h GLN 9 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.72 2kb5 h GLN 9 CO 0.00 0.00 -1.30 2.35 -0.00 0.00 0.00 178.83 179.88 2kb5 h TRP 10 N 0.00 0.00 -0.03 0.06 -0.00 -1.69 -3.19 115.95 111.11 2kb5 h TRP 10 Ca 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.39 2kb5 h TRP 10 Cb 2.45 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 31.61 2kb5 h TRP 10 CO 0.00 0.96 0.01 0.35 -0.00 0.00 0.00 178.44 179.76 2kb5 h PHE 11 N 0.00 0.04 0.00 2.65 3.04 0.23 -2.75 116.94 120.15 2kb5 h PHE 11 Ca -0.14 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.74 2kb5 h PHE 11 Cb 1.85 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.34 2kb5 h PHE 11 CO 0.00 0.15 -0.34 0.00 -2.02 0.00 0.00 178.31 176.10 2kb5 h ALA 12 N 0.89 1.40 -0.96 2.41 0.00 -1.60 0.22 119.26 121.61 2kb5 h ALA 12 Ca 0.01 -0.31 0.20 0.00 0.00 0.00 0.00 54.91 54.80 2kb5 h ALA 12 Cb 0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 2kb5 h ALA 12 CO -0.00 0.43 0.54 0.82 0.00 0.00 0.00 179.25 181.04 2kb5 h ILE 13 N 0.00 0.64 0.00 0.00 1.08 -1.47 3.52 117.51 121.29 2kb5 h ILE 13 Ca -0.00 -0.22 -0.30 0.00 -0.39 0.00 0.00 64.86 63.94 2kb5 h ILE 13 Cb 0.62 -0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 2kb5 h ILE 13 CO 0.04 0.12 -2.14 0.00 -0.69 0.00 0.00 178.15 175.48 2kb5 n GLN 14 N -4.85 1.17 -0.08 2.37 10.64 -1.12 -4.36 117.38 121.16 2kb5 n GLN 14 Ca 0.23 0.02 0.11 0.00 -1.83 0.00 0.00 57.00 55.52 2kb5 n GLN 14 Cb 0.59 -1.42 0.37 0.00 -0.86 0.00 0.00 30.24 28.92 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 -2.70 0.21 -3.73 2.61 8.25 0.77 -4.21 115.22 116.40 2kb5 n HIS 15 Ca -0.29 -0.10 -0.16 0.00 -0.26 0.00 0.00 57.72 56.91 2kb5 n HIS 15 Cb 1.01 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.96 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 -1.79 -0.09 -0.30 1.59 1.01 1.17 -2.35 121.20 120.43 2kb5 s ILE 16 Ca 0.34 0.27 -0.12 0.00 0.00 0.00 0.00 60.65 61.14 2kb5 s ILE 16 Cb 0.19 -0.15 0.17 0.00 0.01 0.00 0.00 42.46 42.68 2kb5 s ILE 16 CO 0.28 0.11 0.94 -0.44 0.00 0.00 0.00 174.94 175.83 2kb5 s SER 17 N 1.46 -0.68 0.01 3.58 0.01 -1.15 -4.38 113.70 112.54 2kb5 s SER 17 Ca -0.05 0.66 -0.25 0.00 1.31 0.00 0.00 55.95 57.62 2kb5 s SER 17 Cb -0.12 1.66 -0.17 0.00 0.21 0.00 0.00 66.02 67.60 2kb5 s SER 17 CO -0.04 -0.13 1.27 -0.07 0.41 0.00 0.00 173.24 174.68 2kb5 h LEU 18 N 7.77 -0.28 -5.79 2.44 3.38 -1.85 -3.27 115.31 117.72 2kb5 h LEU 18 Ca -0.16 -0.21 -0.58 0.00 0.09 0.00 0.00 57.88 57.02 2kb5 h LEU 18 Cb 1.14 0.07 -0.41 0.00 0.09 0.00 0.00 40.66 41.55 2kb5 h LEU 18 CO 0.05 0.08 -0.75 -0.46 0.09 0.00 0.00 178.44 177.45 2kb5 n ASN 19 N -5.09 3.25 -4.73 -0.43 0.23 -1.26 -4.76 115.26 102.47 2kb5 n ASN 19 Ca -0.09 -3.40 -0.42 0.00 -0.53 0.00 0.00 54.58 50.14 2kb5 n ASN 19 Cb 0.25 -0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 37.30 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 -2.72 4.37 0.00 -0.53 0.04 -1.26 -5.04 135.00 129.86 2kb5 s PRO 20 Ca 0.43 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2kb5 s PRO 20 Cb 0.23 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2kb5 s PRO 20 CO -0.08 -0.31 0.00 -0.35 0.04 0.00 0.00 177.00 176.30 2kb5 n PRO 21 N 3.12 0.63 -1.82 0.56 -0.04 -1.26 -4.88 135.00 131.30 2kb5 n PRO 21 Ca 0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 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 -0.55 3.90 0.35 0.54 1.81 -1.26 -4.60 118.95 119.14 2kb5 s ARG 22 Ca 0.00 2.22 0.29 0.00 -1.72 0.00 0.00 55.73 56.53 2kb5 s ARG 22 Cb 0.00 -4.14 1.13 0.00 -0.45 0.00 0.00 34.95 31.49 2kb5 s ARG 22 CO 0.00 -1.21 1.08 0.00 -0.68 0.00 0.00 175.30 174.49 2kb5 h THR 24 N 0.00 0.36 0.08 0.00 2.02 -1.86 -2.92 112.91 110.58 2kb5 h THR 24 Ca 0.63 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 67.46 2kb5 h THR 24 Cb 2.33 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 2kb5 h THR 24 CO -0.15 0.00 -2.00 -0.38 0.37 0.00 0.00 175.52 173.36 2kb5 n ILE 25 N -5.40 1.69 0.31 3.11 5.41 0.28 -4.06 119.36 120.70 2kb5 n ILE 25 Ca -0.07 -0.69 0.08 0.00 1.00 0.00 0.00 62.75 63.07 2kb5 n ILE 25 Cb 0.31 -1.47 0.40 0.00 -0.71 0.00 0.00 39.64 38.17 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 0.33 1.74 -0.70 -1.39 0.00 -0.40 1.49 119.26 120.33 2kb5 h ALA 26 Ca -0.41 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 2kb5 h ALA 26 Cb 2.03 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 19.60 2kb5 h ALA 26 CO 0.06 -0.72 0.31 -1.33 0.00 0.00 0.00 179.25 177.57 2kb5 n MET 27 N -2.73 2.05 -0.10 0.00 2.81 -1.11 -4.53 117.12 113.52 2kb5 n MET 27 Ca 0.00 -3.10 -0.22 0.00 -1.81 0.00 0.00 57.70 52.57 2kb5 n MET 27 Cb 0.73 -2.01 -0.12 0.00 -0.71 0.00 0.00 33.22 31.12 2kb5 n MET 27 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2kb5 n ARG 28 N -1.14 0.58 0.12 0.03 -4.01 0.51 -3.20 116.66 109.55 2kb5 n ARG 28 Ca 0.48 0.53 -0.03 0.00 -1.04 0.00 0.00 57.85 57.79 2kb5 n ARG 28 Cb 1.38 -1.73 0.09 0.00 -3.04 0.00 0.00 32.46 29.16 2kb5 n ARG 28 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kb5 h ALA 29 N -0.47 0.81 0.01 2.89 0.00 -1.80 -3.12 119.26 117.58 2kb5 h ALA 29 Ca -0.38 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 53.87 2kb5 h ALA 29 Cb 1.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kb5 h ALA 29 CO -0.20 0.90 -0.01 0.82 0.00 0.00 0.00 179.25 180.77 2kb5 h ILE 30 N 0.00 0.00 -0.43 0.00 1.08 -1.80 -3.27 117.51 113.08 2kb5 h ILE 30 Ca -0.01 -0.04 0.13 0.00 -0.39 0.00 0.00 64.86 64.55 2kb5 h ILE 30 Cb 1.28 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 2kb5 h ILE 30 CO 0.09 0.00 0.91 0.78 -0.69 0.00 0.00 178.15 179.25 2kb5 h ASN 31 N -0.06 0.00 0.00 1.72 2.35 -1.70 0.44 115.58 118.33 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 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2kb5 h ASN 31 CO 0.00 0.00 0.17 -3.20 -1.65 0.00 0.00 177.43 172.76 2kb5 n ASN 32 N -2.99 0.31 0.29 5.81 2.85 -1.18 -1.02 115.26 119.34 2kb5 n ASN 32 Ca 0.09 0.57 0.14 0.00 -0.11 0.00 0.00 54.58 55.27 2kb5 n ASN 32 Cb 1.06 -0.56 0.87 0.00 1.24 0.00 0.00 39.78 42.39 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 -3.47 1.20 -0.00 -0.32 -3.45 116.97 110.94 2kb5 h TYR 33 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.56 2kb5 h TYR 33 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.04 2kb5 h TYR 33 CO 0.00 0.01 -0.01 0.54 -0.00 0.00 0.00 178.16 178.70 2kb5 n ARG 34 N -3.93 0.73 -0.53 0.10 5.12 -0.19 -4.67 116.66 113.29 2kb5 n ARG 34 Ca -0.03 -2.27 0.06 0.00 -1.93 0.00 0.00 57.85 53.67 2kb5 n ARG 34 Cb 0.09 2.37 0.27 0.00 -1.16 0.00 0.00 32.46 34.03 2kb5 n ARG 34 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2kb5 n TRP 35 N -0.49 1.25 -4.22 -1.55 8.01 -1.26 -4.89 117.44 114.29 2kb5 n TRP 35 Ca -0.02 -0.46 -0.18 0.00 -1.31 0.00 0.00 57.50 55.53 2kb5 n TRP 35 Cb 0.51 -0.29 -0.11 0.00 -2.01 0.00 0.00 31.31 29.41 2kb5 n TRP 35 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 2kb5 s ARG 36 N -1.99 0.96 0.72 -0.99 3.52 -1.26 -4.85 118.95 115.06 2kb5 s ARG 36 Ca 0.37 -1.16 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 2kb5 s ARG 36 Cb 0.26 -0.87 0.12 0.00 -1.56 0.00 0.00 34.95 32.90 2kb5 s ARG 36 CO 0.14 0.17 0.99 0.00 -0.81 0.00 0.00 175.30 175.79 2kb5 s LYS 38 N -5.15 2.86 0.16 0.00 2.47 -1.26 -5.02 119.74 113.81 2kb5 s LYS 38 Ca 0.65 -0.78 0.10 0.00 -1.56 0.00 0.00 55.97 54.39 2kb5 s LYS 38 Cb -0.06 -2.68 -0.12 0.00 -1.46 0.00 0.00 37.83 33.51 2kb5 s LYS 38 CO 0.44 0.53 1.30 -0.91 0.16 0.00 0.00 175.35 176.87 2kb5 h ASN 39 N 2.92 0.00 -5.25 1.43 4.21 -1.97 -3.41 115.58 113.52 2kb5 h ASN 39 Ca -0.47 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.96 2kb5 h ASN 39 Cb 1.18 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.30 2kb5 h ASN 39 CO 0.64 0.82 -0.08 -1.10 -1.29 0.00 0.00 177.43 176.43 2kb5 s GLN 40 N -2.79 1.66 -0.29 0.81 -0.21 -1.26 -1.73 119.66 115.84 2kb5 s GLN 40 Ca 0.02 -1.32 -0.21 0.00 0.02 0.00 0.00 55.36 53.87 2kb5 s GLN 40 Cb 0.09 0.49 0.17 0.00 1.00 0.00 0.00 33.01 34.76 2kb5 s GLN 40 CO 0.80 -0.70 1.24 1.21 -2.12 0.00 0.00 175.29 175.71 2kb5 s ASN 41 N -3.05 -0.21 -0.16 5.90 3.04 -0.80 -4.92 114.94 114.75 2kb5 s ASN 41 Ca 0.22 0.37 -0.00 0.00 0.04 0.00 0.00 52.86 53.49 2kb5 s ASN 41 Cb -0.01 0.68 0.04 0.00 -1.54 0.00 0.00 41.25 40.41 2kb5 s ASN 41 CO 0.11 -0.06 -0.07 -0.89 -3.04 0.00 0.00 177.10 173.14 2kb5 s THR 42 N 0.55 1.21 -0.46 -5.21 2.01 -1.26 0.19 115.64 112.68 2kb5 s THR 42 Ca -0.00 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.22 2kb5 s THR 42 Cb -0.04 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.20 2kb5 s THR 42 CO -0.12 0.22 0.47 -0.36 -0.69 0.00 0.00 174.62 174.14 2kb5 s PHE 43 N 1.60 3.16 -0.36 4.92 0.08 -0.43 -4.12 117.98 122.84 2kb5 s PHE 43 Ca 0.02 -0.57 -0.20 0.00 0.12 0.00 0.00 56.93 56.29 2kb5 s PHE 43 Cb -0.15 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.18 2kb5 s PHE 43 CO -0.08 -0.81 0.64 -0.51 -0.10 0.00 0.00 175.22 174.36 2kb5 s LEU 44 N 2.13 4.25 -1.06 -0.37 1.43 -0.99 0.62 118.68 124.68 2kb5 s LEU 44 Ca 0.11 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 2kb5 s LEU 44 Cb -0.20 -2.79 -0.23 0.00 0.03 0.00 0.00 46.19 43.00 2kb5 s LEU 44 CO 0.11 -0.60 2.08 0.54 0.23 0.00 0.00 176.35 178.72 2kb5 n ARG 45 N 6.05 0.24 -3.50 1.70 1.74 -0.93 -2.94 116.66 119.03 2kb5 n ARG 45 Ca -0.01 -1.76 -0.11 0.00 -0.77 0.00 0.00 57.85 55.20 2kb5 n ARG 45 Cb 0.49 -3.88 -0.03 0.00 -1.02 0.00 0.00 32.46 28.01 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 16.51 0.00 0.28 0.55 -1.32 -1.26 -4.70 115.64 125.70 2kb5 s THR 46 Ca 0.80 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 61.15 2kb5 s THR 46 Cb -0.04 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.87 2kb5 s THR 46 CO 0.19 0.00 0.67 0.42 -2.21 0.00 0.00 174.62 173.69 2kb5 s THR 47 N -2.71 4.76 0.50 5.08 -4.23 -1.26 -4.51 115.64 113.27 2kb5 s THR 47 Ca 0.01 0.81 0.36 0.00 -1.18 0.00 0.00 61.69 61.69 2kb5 s THR 47 Cb -0.01 -3.63 0.56 0.00 1.34 0.00 0.00 72.50 70.77 2kb5 s THR 47 CO -0.06 -0.11 1.70 0.15 -0.54 0.00 0.00 174.62 175.76 2kb5 h PHE 48 N 2.46 0.22 0.67 3.99 3.57 -1.98 0.73 116.94 126.60 2kb5 h PHE 48 Ca -0.48 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 2kb5 h PHE 48 Cb 1.17 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.86 2kb5 h PHE 48 CO 0.62 -0.04 -0.32 0.00 -2.23 0.00 0.00 178.31 176.34 2kb5 h ALA 49 N 1.38 -0.89 -0.94 2.41 0.00 -1.99 -0.28 119.26 118.95 2kb5 h ALA 49 Ca 0.73 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.58 2kb5 h ALA 49 Cb 2.63 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 20.67 2kb5 h ALA 49 CO -0.15 -0.97 0.55 -0.91 0.00 0.00 0.00 179.25 177.77 2kb5 h ASN 50 N -0.97 0.73 -0.56 0.00 2.35 -1.24 -0.06 115.58 115.84 2kb5 h ASN 50 Ca -0.09 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 2kb5 h ASN 50 Cb 0.71 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2kb5 h ASN 50 CO 0.15 0.33 0.05 0.58 -1.65 0.00 0.00 177.43 176.88 2kb5 h VAL 51 N 0.78 1.26 -0.41 2.81 2.07 -1.29 -2.65 116.25 118.83 2kb5 h VAL 51 Ca 0.51 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2kb5 h VAL 51 Cb 0.66 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2kb5 h VAL 51 CO -0.33 0.38 -0.03 0.58 0.02 0.00 0.00 177.57 178.18 2kb5 h VAL 52 N 0.84 1.23 0.00 2.57 2.07 0.49 -2.13 116.25 121.31 2kb5 h VAL 52 Ca 0.16 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2kb5 h VAL 52 Cb 0.48 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2kb5 h VAL 52 CO 0.02 0.34 -0.07 -1.13 0.02 0.00 0.00 177.57 176.74 2kb5 h ASN 53 N 0.63 0.00 -0.04 0.57 -1.24 -0.86 -2.81 115.58 111.83 2kb5 h ASN 53 Ca 0.12 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.99 2kb5 h ASN 53 Cb 0.45 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2kb5 h ASN 53 CO 0.02 0.07 -0.44 0.58 -1.29 0.00 0.00 177.43 176.38 2kb5 h VAL 54 N 0.00 1.30 -0.28 2.57 2.07 -1.03 -2.94 116.25 117.93 2kb5 h VAL 54 Ca -0.00 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 65.93 2kb5 h VAL 54 Cb 0.52 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2kb5 h VAL 54 CO 0.01 0.51 0.19 0.00 0.02 0.00 0.00 177.57 178.30 2kb5 n GLY 56 N -1.53 -0.71 3.96 0.00 0.00 -1.11 -4.79 105.19 101.01 2kb5 n GLY 56 Ca 0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.51 5.78 -0.50 1.61 0.01 0.05 -4.96 114.94 115.42 2kb5 s ASN 57 Ca 0.10 0.23 -0.37 0.00 -0.71 0.00 0.00 52.86 52.12 2kb5 s ASN 57 Cb 0.05 -1.44 -0.15 0.00 0.41 0.00 0.00 41.25 40.11 2kb5 s ASN 57 CO 0.08 -0.74 2.27 1.67 -1.51 0.00 0.00 177.10 178.87 2kb5 n GLN 58 N -2.09 0.57 -2.12 -0.60 -0.06 -1.26 -4.85 117.38 106.97 2kb5 n GLN 58 Ca 0.02 0.13 -0.38 0.00 -2.00 0.00 0.00 57.00 54.78 2kb5 n GLN 58 Cb 0.58 -2.08 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 2kb5 n GLN 58 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2kb5 s SER 59 N 7.50 6.02 0.16 1.69 1.04 -1.26 -4.41 113.70 124.44 2kb5 s SER 59 Ca 1.16 2.47 0.02 0.00 0.48 0.00 0.00 55.95 60.08 2kb5 s SER 59 Cb -1.07 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 62.38 2kb5 s SER 59 CO 0.53 -1.03 -0.02 0.27 0.98 0.00 0.00 173.24 173.97 2kb5 s ILE 60 N -1.43 0.72 -0.17 -1.02 -4.36 -0.92 -5.01 121.20 109.00 2kb5 s ILE 60 Ca 0.64 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.76 2kb5 s ILE 60 Cb -0.33 -2.01 -0.01 0.00 1.25 0.00 0.00 42.46 41.36 2kb5 s ILE 60 CO 0.40 -0.58 1.27 0.00 0.24 0.00 0.00 174.94 176.27 2kb5 s ARG 61 N -3.88 4.21 0.44 0.37 1.70 -1.26 -4.22 118.95 116.29 2kb5 s ARG 61 Ca 0.21 1.64 -0.25 0.00 -0.47 0.00 0.00 55.73 56.86 2kb5 s ARG 61 Cb 0.06 -3.78 -0.08 0.00 -0.57 0.00 0.00 34.95 30.58 2kb5 s ARG 61 CO 0.02 -0.74 1.29 0.00 -1.08 0.00 0.00 175.30 174.79 2kb5 h PRO 63 N 2.39 0.00 0.00 0.00 0.13 -1.94 -2.75 132.00 129.83 2kb5 h PRO 63 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2kb5 h PRO 63 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kb5 h PRO 63 CO 0.61 0.25 -0.15 0.45 -0.23 0.00 0.00 178.00 178.94 2kb5 h HIS 64 N 0.00 0.00 -2.99 1.56 3.86 -1.94 -3.41 115.15 112.22 2kb5 h HIS 64 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 2kb5 h HIS 64 Cb 0.68 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.80 2kb5 h HIS 64 CO 0.00 0.15 -0.61 -0.80 0.86 0.00 0.00 177.93 177.53 2kb5 s ASN 65 N -6.05 0.70 0.00 2.45 0.01 -1.04 -5.00 114.94 106.01 2kb5 s ASN 65 Ca -0.01 0.36 0.12 0.00 -0.71 0.00 0.00 52.86 52.63 2kb5 s ASN 65 Cb 0.11 0.39 0.74 0.00 0.41 0.00 0.00 41.25 42.91 2kb5 s ASN 65 CO 0.59 -0.25 1.30 -2.11 -1.51 0.00 0.00 177.10 175.13 2kb5 n ARG 66 N 5.33 0.76 0.00 -0.60 1.85 -1.26 -3.51 116.66 119.23 2kb5 n ARG 66 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2kb5 n ARG 66 Cb 0.50 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.65 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 -0.76 0.00 -2.07 8.89 5.66 -1.26 -5.01 114.28 119.73 2kb5 n THR 67 Ca 0.09 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.66 2kb5 n THR 67 Cb 0.04 -0.56 -0.03 0.00 -1.55 0.00 0.00 70.33 68.23 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 -4.72 3.74 -0.59 1.09 0.20 -1.23 -4.92 118.68 112.25 2kb5 s LEU 68 Ca 0.00 1.49 0.06 0.00 0.69 0.00 0.00 54.13 56.37 2kb5 s LEU 68 Cb 0.00 -3.53 0.25 0.00 -0.43 0.00 0.00 46.19 42.48 2kb5 s LEU 68 CO 0.00 -1.44 0.70 0.59 -0.29 0.00 0.00 176.35 175.92 2kb5 n ASN 69 N 9.16 3.03 -0.73 3.68 3.02 -1.26 -3.37 115.26 128.78 2kb5 n ASN 69 Ca 0.20 -3.29 0.05 0.00 -0.03 0.00 0.00 54.58 51.51 2kb5 n ASN 69 Cb 0.46 -0.66 0.12 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.95 1.42 -4.19 6.41 5.03 -1.26 -4.91 115.26 118.71 2kb5 n ASN 70 Ca 0.28 -2.98 -0.22 0.00 0.87 0.00 0.00 54.58 52.52 2kb5 n ASN 70 Cb 0.44 -0.41 -0.14 0.00 -1.02 0.00 0.00 39.78 38.65 2kb5 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb5 s HIS 72 N -0.80 1.74 -0.03 0.00 3.76 -1.21 -2.16 115.29 116.58 2kb5 s HIS 72 Ca 0.04 -0.39 -0.14 0.00 -0.15 0.00 0.00 55.06 54.42 2kb5 s HIS 72 Cb -0.08 -1.01 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 2kb5 s HIS 72 CO 0.01 0.12 0.39 0.50 -0.85 0.00 0.00 174.74 174.91 2kb5 s ARG 73 N -1.41 3.95 0.37 1.40 3.52 -1.26 -3.37 118.95 122.15 2kb5 s ARG 73 Ca 0.06 0.35 -0.27 0.00 -0.13 0.00 0.00 55.73 55.74 2kb5 s ARG 73 Cb -0.09 -3.26 -0.11 0.00 -1.56 0.00 0.00 34.95 29.93 2kb5 s ARG 73 CO 0.02 0.61 1.38 -1.13 -0.81 0.00 0.00 175.30 175.37 2kb5 n SER 74 N 2.16 3.20 -0.04 -2.12 3.41 -1.18 -4.83 113.62 114.21 2kb5 n SER 74 Ca -0.14 1.20 -0.13 0.00 -0.26 0.00 0.00 58.87 59.54 2kb5 n SER 74 Cb 0.52 -1.55 -0.08 0.00 -0.26 0.00 0.00 64.21 62.84 2kb5 n SER 74 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2kb5 h ARG 75 N 2.64 0.29 -5.97 4.33 0.11 -1.94 -3.45 114.38 110.39 2kb5 h ARG 75 Ca -0.49 -0.17 -0.64 0.00 0.10 0.00 0.00 59.98 58.79 2kb5 h ARG 75 Cb 1.27 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 32.29 2kb5 h ARG 75 CO 0.63 0.73 -0.54 -0.06 0.10 0.00 0.00 179.97 180.83 2kb5 s PHE 76 N -4.18 3.40 0.69 4.08 0.08 -1.26 -5.10 117.98 115.69 2kb5 s PHE 76 Ca -0.14 0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 2kb5 s PHE 76 Cb 0.04 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 2kb5 s PHE 76 CO 0.74 0.58 1.06 1.03 -0.10 0.00 0.00 175.22 178.54 2kb5 s ARG 77 N -2.18 2.97 -0.07 0.44 3.00 -1.26 -4.80 118.95 117.04 2kb5 s ARG 77 Ca 0.29 0.74 -0.26 0.00 0.00 0.00 0.00 55.73 56.51 2kb5 s ARG 77 Cb -0.13 -2.01 0.06 0.00 0.00 0.00 0.00 34.95 32.87 2kb5 s ARG 77 CO 0.21 -1.02 0.59 0.14 0.00 0.00 0.00 175.30 175.22 2kb5 s VAL 78 N -3.17 0.01 -0.57 3.52 -7.23 -1.23 -4.96 120.40 106.78 2kb5 s VAL 78 Ca 0.58 -0.11 -0.27 0.00 -1.81 0.00 0.00 61.98 60.37 2kb5 s VAL 78 Cb -0.13 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 2kb5 s VAL 78 CO 0.54 -0.06 1.84 -2.16 -0.31 0.00 0.00 175.10 174.95 2kb5 s PRO 79 N -0.98 2.74 0.60 4.82 0.04 -1.26 -2.43 135.00 138.54 2kb5 s PRO 79 Ca -0.10 0.73 0.03 0.00 0.04 0.00 0.00 61.00 61.70 2kb5 s PRO 79 Cb -0.02 -4.35 0.07 0.00 0.04 0.00 0.00 34.50 30.24 2kb5 s PRO 79 CO 0.07 -2.59 0.83 -0.48 0.04 0.00 0.00 177.00 174.88 2kb5 s LEU 80 N 8.71 3.18 0.02 -3.56 0.05 0.16 -2.19 118.68 125.05 2kb5 s LEU 80 Ca 0.69 -0.33 0.04 0.00 0.05 0.00 0.00 54.13 54.58 2kb5 s LEU 80 Cb -0.14 -2.31 -0.02 0.00 -2.05 0.00 0.00 46.19 41.67 2kb5 s LEU 80 CO 0.23 -1.39 -0.13 -0.22 -0.55 0.00 0.00 176.35 174.29 2kb5 s LEU 81 N -4.83 2.13 -0.16 1.48 1.98 0.20 -2.05 118.68 117.42 2kb5 s LEU 81 Ca 0.61 -0.38 -0.02 0.00 -2.89 0.00 0.00 54.13 51.45 2kb5 s LEU 81 Cb -0.08 -0.56 -0.01 0.00 0.66 0.00 0.00 46.19 46.20 2kb5 s LEU 81 CO 0.40 0.05 -0.09 -1.00 -1.89 0.00 0.00 176.35 173.82 2kb5 s HIS 82 N -0.71 2.89 -0.51 5.38 3.76 -0.64 -1.31 115.29 124.16 2kb5 s HIS 82 Ca 0.01 -0.69 0.05 0.00 -0.15 0.00 0.00 55.06 54.28 2kb5 s HIS 82 Cb -0.07 -1.94 0.18 0.00 1.11 0.00 0.00 32.58 31.86 2kb5 s HIS 82 CO 0.01 -0.29 0.42 0.00 -0.85 0.00 0.00 174.74 174.03 2kb5 s ASP 84 N -0.62 6.80 -0.35 0.00 2.15 -1.17 -1.91 116.67 121.57 2kb5 s ASP 84 Ca 0.31 0.97 -0.38 0.00 0.43 0.00 0.00 52.55 53.89 2kb5 s ASP 84 Cb 0.03 -2.37 -0.13 0.00 -0.30 0.00 0.00 42.92 40.15 2kb5 s ASP 84 CO -0.17 -0.23 2.08 -0.11 -0.17 0.00 0.00 175.17 176.57 2kb5 n LEU 85 N 4.62 2.01 0.00 -1.34 7.94 -0.71 -1.58 117.00 127.94 2kb5 n LEU 85 Ca -0.01 0.61 0.08 0.00 -1.11 0.00 0.00 56.01 55.58 2kb5 n LEU 85 Cb 0.50 -1.18 0.47 0.00 0.53 0.00 0.00 43.42 43.74 2kb5 n LEU 85 CO 0.45 -0.65 0.75 -0.38 -1.11 0.00 0.00 177.39 176.45 2kb5 n ILE 86 N 6.49 0.00 -3.74 1.96 5.41 -0.69 -4.19 119.36 124.60 2kb5 n ILE 86 Ca 0.40 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.87 2kb5 n ILE 86 Cb 0.17 -0.36 -0.12 0.00 -0.71 0.00 0.00 39.64 38.62 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 -1.64 3.75 -0.21 4.38 4.22 -1.26 -4.96 114.94 119.22 2kb5 s ASN 87 Ca 0.24 -3.52 -0.29 0.00 -2.14 0.00 0.00 52.86 47.15 2kb5 s ASN 87 Cb 0.11 -1.25 -0.03 0.00 1.28 0.00 0.00 41.25 41.36 2kb5 s ASN 87 CO 0.18 -0.13 1.61 -2.16 -2.04 0.00 0.00 177.10 174.57 2kb5 s PRO 88 N -0.86 3.82 0.00 3.55 0.04 -1.26 -2.36 135.00 137.92 2kb5 s PRO 88 Ca 0.26 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2kb5 s PRO 88 Cb -0.04 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2kb5 s PRO 88 CO -0.16 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2kb5 n GLY 89 N 4.62 0.50 3.55 0.56 0.00 -1.26 -5.08 105.19 108.08 2kb5 n GLY 89 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 2.95 -0.50 4.61 0.00 -1.00 -5.05 121.76 120.77 2kb5 s ALA 90 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.16 2kb5 s ALA 90 Cb 0.00 -1.28 0.28 0.00 0.00 0.00 0.00 23.12 22.12 2kb5 s ALA 90 CO 0.00 0.48 0.69 1.04 0.00 0.00 0.00 175.76 177.98 2kb5 n GLN 91 N 2.57 1.75 -3.91 0.00 3.00 -1.26 -4.86 117.38 114.67 2kb5 n GLN 91 Ca -0.18 -3.98 -0.30 0.00 -0.01 0.00 0.00 57.00 52.53 2kb5 n GLN 91 Cb 0.53 -1.80 -0.15 0.00 0.00 0.00 0.00 30.24 28.82 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 -2.16 4.34 0.03 1.08 2.20 -1.26 -4.46 114.94 114.71 2kb5 s ASN 92 Ca 0.40 -1.79 0.02 0.00 -0.94 0.00 0.00 52.86 50.55 2kb5 s ASN 92 Cb 0.21 -1.28 0.11 0.00 -2.00 0.00 0.00 41.25 38.29 2kb5 s ASN 92 CO -0.08 -0.36 1.05 2.30 -2.94 0.00 0.00 177.10 177.07 2kb5 n ILE 93 N 4.54 1.84 0.13 0.54 -5.35 -1.26 -0.48 119.36 119.32 2kb5 n ILE 93 Ca -0.01 0.52 -0.23 0.00 -0.27 0.00 0.00 62.75 62.76 2kb5 n ILE 93 Cb 0.42 -1.52 -0.15 0.00 -1.74 0.00 0.00 39.64 36.64 2kb5 n ILE 93 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2kb5 h SER 94 N 0.00 0.74 -0.72 7.28 0.02 -1.98 -3.38 113.55 115.51 2kb5 h SER 94 Ca 0.00 -0.85 -0.40 0.00 -0.84 0.00 0.00 61.79 59.70 2kb5 h SER 94 Cb 0.04 -0.24 -0.41 0.00 0.14 0.00 0.00 62.40 61.92 2kb5 h SER 94 CO 0.00 1.67 -0.98 0.59 -1.14 0.00 0.00 176.83 176.97 2kb5 n ASN 95 N -3.66 3.10 -4.51 3.07 3.02 -0.35 -5.04 115.26 110.89 2kb5 n ASN 95 Ca -0.17 -2.90 -0.43 0.00 -0.03 0.00 0.00 54.58 51.05 2kb5 n ASN 95 Cb 1.09 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.79 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 4.09 3.89 0.02 0.00 0.52 -1.26 -4.62 118.95 121.59 2kb5 s ARG 97 Ca 0.30 0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 56.22 2kb5 s ARG 97 Cb -0.13 -2.22 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 2kb5 s ARG 97 CO 0.18 -0.19 0.14 0.71 0.02 0.00 0.00 175.30 176.15 2kb5 s TYR 98 N -2.54 0.08 -0.34 -0.53 2.02 -1.26 -1.71 117.35 113.07 2kb5 s TYR 98 Ca 0.56 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 2kb5 s TYR 98 Cb -0.10 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.38 2kb5 s TYR 98 CO 0.31 -0.33 0.22 0.00 -1.57 0.00 0.00 175.55 174.18 2kb5 s ALA 99 N -1.91 3.42 -0.11 3.71 0.00 -0.62 -4.78 121.76 121.48 2kb5 s ALA 99 Ca -0.11 -1.44 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 2kb5 s ALA 99 Cb -0.05 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2kb5 s ALA 99 CO -0.01 -1.02 0.60 -0.51 0.00 0.00 0.00 175.76 174.82 2kb5 s ASP 100 N 1.67 6.82 -0.26 0.00 1.11 -1.23 -3.04 116.67 121.74 2kb5 s ASP 100 Ca 0.05 0.98 -0.01 0.00 0.18 0.00 0.00 52.55 53.75 2kb5 s ASP 100 Cb -0.18 -2.35 0.14 0.00 1.07 0.00 0.00 42.92 41.60 2kb5 s ASP 100 CO 0.09 -0.09 0.36 -0.60 1.18 0.00 0.00 175.17 176.10 2kb5 s ARG 101 N 0.91 0.35 0.76 8.23 3.00 -0.71 -4.95 118.95 126.53 2kb5 s ARG 101 Ca 0.31 0.25 -0.11 0.00 -1.00 0.00 0.00 55.73 55.19 2kb5 s ARG 101 Cb -0.16 -0.54 0.05 0.00 0.00 0.00 0.00 34.95 34.30 2kb5 s ARG 101 CO 0.14 -0.83 1.09 -1.25 0.00 0.00 0.00 175.30 174.45 2kb5 s PRO 102 N 2.49 2.32 -0.12 5.12 0.04 -1.26 -1.62 135.00 141.98 2kb5 s PRO 102 Ca 0.11 1.20 -0.33 0.00 0.04 0.00 0.00 61.00 62.01 2kb5 s PRO 102 Cb -0.14 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.63 2kb5 s PRO 102 CO -0.23 -1.60 1.27 0.20 0.04 0.00 0.00 177.00 176.69 2kb5 s GLY 103 N -3.28 -0.35 -0.26 0.56 0.00 -0.87 -4.93 107.32 98.19 2kb5 s GLY 103 Ca 0.62 1.19 0.02 0.00 0.00 0.00 0.00 44.72 46.54 2kb5 s GLY 103 CO 0.54 0.34 -0.05 -1.60 0.00 0.00 0.00 173.10 172.33 2kb5 s ARG 104 N -2.37 1.74 0.18 2.90 3.52 -1.26 0.40 118.95 124.06 2kb5 s ARG 104 Ca 0.12 -1.20 -0.24 0.00 -0.13 0.00 0.00 55.73 54.28 2kb5 s ARG 104 Cb 0.02 -2.72 0.05 0.00 -1.56 0.00 0.00 34.95 30.75 2kb5 s ARG 104 CO -0.04 -0.65 0.88 1.03 -0.81 0.00 0.00 175.30 175.71 2kb5 s ARG 105 N 1.26 1.35 0.52 5.12 0.52 -1.02 -4.87 118.95 121.83 2kb5 s ARG 105 Ca -0.04 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.35 2kb5 s ARG 105 Cb -0.19 0.47 0.13 0.00 0.52 0.00 0.00 34.95 35.87 2kb5 s ARG 105 CO -0.07 -0.62 0.56 1.19 0.02 0.00 0.00 175.30 176.39 2kb5 n PHE 106 N -0.45 -3.67 -3.71 -0.53 3.72 -1.23 -3.49 117.46 108.10 2kb5 n PHE 106 Ca -0.06 -0.50 -0.11 0.00 -0.05 0.00 0.00 57.45 56.73 2kb5 n PHE 106 Cb 0.60 -0.51 -0.11 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.12 -0.54 -0.48 1.38 -0.85 -1.26 -1.45 117.35 112.02 2kb5 s TYR 107 Ca 0.34 1.20 -0.15 0.00 -0.52 0.00 0.00 57.07 57.94 2kb5 s TYR 107 Cb -0.02 0.22 0.08 0.00 0.38 0.00 0.00 41.96 42.62 2kb5 s TYR 107 CO 0.25 -0.30 0.41 0.08 -1.52 0.00 0.00 175.55 174.47 2kb5 s VAL 108 N 1.05 5.22 -0.08 -3.49 1.01 0.17 -3.11 120.40 121.18 2kb5 s VAL 108 Ca -0.07 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.80 2kb5 s VAL 108 Cb -0.07 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2kb5 s VAL 108 CO -0.09 -0.63 -0.14 0.68 0.00 0.00 0.00 175.10 174.93 2kb5 s VAL 109 N 1.63 3.04 -0.48 2.92 -7.23 -1.22 -0.52 120.40 118.55 2kb5 s VAL 109 Ca 0.04 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 2kb5 s VAL 109 Cb -0.25 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.50 2kb5 s VAL 109 CO 0.06 0.57 0.86 0.00 -0.31 0.00 0.00 175.10 176.28 2kb5 s ALA 110 N -0.38 3.25 -0.15 1.32 0.00 0.73 -3.30 121.76 123.23 2kb5 s ALA 110 Ca 0.04 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2kb5 s ALA 110 Cb -0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 2kb5 s ALA 110 CO 0.02 -2.08 0.59 0.00 0.00 0.00 0.00 175.76 174.29 2kb5 s ASP 112 N 0.98 1.97 0.13 0.00 2.15 -0.79 -4.85 116.67 116.24 2kb5 s ASP 112 Ca 0.29 -1.11 -0.34 0.00 0.43 0.00 0.00 52.55 51.82 2kb5 s ASP 112 Cb -0.16 -0.03 -0.14 0.00 -0.30 0.00 0.00 42.92 42.29 2kb5 s ASP 112 CO 0.12 -0.39 1.58 0.59 -0.17 0.00 0.00 175.17 176.89 2kb5 n ASN 113 N -0.34 2.94 -4.81 -0.34 4.13 -1.26 -2.99 115.26 112.59 2kb5 n ASN 113 Ca -0.07 1.08 -0.29 0.00 1.68 0.00 0.00 54.58 56.97 2kb5 n ASN 113 Cb 0.62 -1.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.42 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 1.16 2.22 0.03 3.52 1.04 -1.24 -4.95 118.95 120.73 2kb5 s ARG 114 Ca 0.81 -2.17 -0.23 0.00 -1.04 0.00 0.00 55.73 53.10 2kb5 s ARG 114 Cb -0.72 -1.82 -0.05 0.00 -2.04 0.00 0.00 34.95 30.32 2kb5 s ARG 114 CO 0.40 -0.42 0.71 0.34 -0.04 0.00 0.00 175.30 176.29 2kb5 s ASP 115 N -4.04 7.14 0.00 -2.89 -1.08 -1.26 -4.94 116.67 109.61 2kb5 s ASP 115 Ca 0.22 1.36 0.09 0.00 -0.52 0.00 0.00 52.55 53.70 2kb5 s ASP 115 Cb 0.01 -2.43 0.55 0.00 -1.46 0.00 0.00 42.92 39.58 2kb5 s ASP 115 CO 0.13 0.05 0.99 -0.81 0.52 0.00 0.00 175.17 176.05 2kb5 n PRO 116 N 2.75 0.49 0.00 4.34 -0.04 -1.26 -2.08 135.00 139.20 2kb5 n PRO 116 Ca -0.04 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 2kb5 n PRO 116 Cb 0.50 -1.30 0.13 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.80 0.19 -0.03 0.54 1.85 -1.26 -4.20 116.66 112.94 2kb5 n ARG 117 Ca 0.07 -0.13 -0.07 0.00 -1.00 0.00 0.00 57.85 56.72 2kb5 n ARG 117 Cb 0.03 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 29.92 2kb5 n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kb5 n ASP 118 N -1.29 1.04 -3.78 2.89 9.92 -0.88 -4.94 116.55 119.50 2kb5 n ASP 118 Ca 0.06 0.06 -0.30 0.00 -0.53 0.00 0.00 54.79 54.08 2kb5 n ASP 118 Cb 0.34 -0.18 -0.13 0.00 -0.64 0.00 0.00 41.12 40.51 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 -5.41 3.88 -0.02 -2.24 0.15 -1.15 -4.98 113.70 103.92 2kb5 s SER 119 Ca -0.09 -2.65 -0.25 0.00 0.70 0.00 0.00 55.95 53.66 2kb5 s SER 119 Cb 0.03 -1.20 -0.20 0.00 -1.71 0.00 0.00 66.02 62.95 2kb5 s SER 119 CO 0.12 -0.27 1.22 1.55 1.20 0.00 0.00 173.24 177.06 2kb5 h PRO 120 N 6.78 -0.06 0.75 5.44 0.13 -1.85 -3.35 132.00 139.84 2kb5 h PRO 120 Ca -0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2kb5 h PRO 120 Cb 0.93 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.08 2kb5 h PRO 120 CO 0.53 0.41 -0.36 0.07 -0.23 0.00 0.00 178.00 178.42 2kb5 h ARG 121 N -0.55 -0.97 -6.18 0.86 0.11 -1.94 -3.41 114.38 102.30 2kb5 h ARG 121 Ca -0.01 0.07 -0.57 0.00 0.10 0.00 0.00 59.98 59.57 2kb5 h ARG 121 Cb 0.49 0.22 -0.04 0.00 1.11 0.00 0.00 29.97 31.75 2kb5 h ARG 121 CO 0.01 -0.63 0.91 0.71 0.10 0.00 0.00 179.97 181.08 2kb5 s TYR 122 N -5.23 2.83 0.04 4.08 2.02 -1.26 -4.93 117.35 114.90 2kb5 s TYR 122 Ca -0.16 1.00 -0.20 0.00 -0.37 0.00 0.00 57.07 57.33 2kb5 s TYR 122 Cb 0.02 -3.57 -0.14 0.00 -0.40 0.00 0.00 41.96 37.87 2kb5 s TYR 122 CO 0.51 -1.67 1.35 -1.00 -1.57 0.00 0.00 175.55 173.17 2kb5 h PRO 123 N 8.39 0.38 -6.21 -1.71 0.13 -1.80 -3.44 132.00 127.74 2kb5 h PRO 123 Ca -0.26 -0.20 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 2kb5 h PRO 123 Cb 1.10 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 2kb5 h PRO 123 CO 0.98 0.76 -0.69 0.54 -0.23 0.00 0.00 178.00 179.36 2kb5 s VAL 124 N -4.30 3.03 0.06 1.56 0.11 -1.26 -3.64 120.40 115.96 2kb5 s VAL 124 Ca -0.14 -2.13 -0.11 0.00 -2.93 0.00 0.00 61.98 56.67 2kb5 s VAL 124 Cb 0.05 -2.61 0.01 0.00 -1.53 0.00 0.00 36.38 32.30 2kb5 s VAL 124 CO 0.76 -0.39 0.24 0.68 -3.33 0.00 0.00 175.10 173.06 2kb5 s VAL 125 N -2.40 0.11 0.13 2.04 -7.23 -1.16 -4.92 120.40 106.96 2kb5 s VAL 125 Ca 0.31 -0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 59.28 2kb5 s VAL 125 Cb -0.06 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.75 2kb5 s VAL 125 CO 0.18 -0.49 1.35 -2.16 -0.31 0.00 0.00 175.10 173.67 2kb5 s PRO 126 N -2.99 4.35 0.00 4.82 0.04 -1.26 -1.89 135.00 138.07 2kb5 s PRO 126 Ca -0.02 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kb5 s PRO 126 Cb 0.01 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2kb5 s PRO 126 CO -0.06 -0.38 0.44 1.33 0.04 0.00 0.00 177.00 178.38 2kb5 n VAL 127 N 3.65 0.18 -3.60 -0.36 0.24 -0.40 -4.44 118.33 113.60 2kb5 n VAL 127 Ca 0.10 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 2kb5 n VAL 127 Cb 0.43 1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 33.94 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 -0.18 -0.56 -0.24 6.34 5.65 -1.24 -4.96 115.29 120.09 2kb5 s HIS 128 Ca 0.00 1.24 0.02 0.00 0.25 0.00 0.00 55.06 56.57 2kb5 s HIS 128 Cb 0.00 0.36 0.06 0.00 -1.18 0.00 0.00 32.58 31.82 2kb5 s HIS 128 CO 0.00 -0.35 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.47 2kb5 s LEU 129 N -0.24 2.92 -0.01 8.88 1.98 -1.26 -0.19 118.68 130.76 2kb5 s LEU 129 Ca -0.01 -1.21 -0.22 0.00 -2.89 0.00 0.00 54.13 49.80 2kb5 s LEU 129 Cb -0.03 -1.38 -0.13 0.00 0.66 0.00 0.00 46.19 45.31 2kb5 s LEU 129 CO -0.00 -0.19 0.97 -0.78 -1.89 0.00 0.00 176.35 174.46 2kb5 h ASP 130 N 7.87 -0.54 -2.05 3.68 1.82 -1.20 -3.49 116.42 122.50 2kb5 h ASP 130 Ca -0.21 -0.06 0.21 0.00 -0.39 0.00 0.00 57.03 56.58 2kb5 h ASP 130 Cb 1.06 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 41.18 2kb5 h ASP 130 CO 0.46 -0.13 0.62 1.07 -1.61 0.00 0.00 179.24 179.64 2kb5 n THR 131 N -5.22 0.00 -4.05 2.25 5.66 -1.25 -5.00 114.28 106.66 2kb5 n THR 131 Ca -0.09 -0.32 -0.32 0.00 -3.05 0.00 0.00 64.05 60.27 2kb5 n THR 131 Cb 0.29 0.58 -0.16 0.00 -1.55 0.00 0.00 70.33 69.49 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 -2.09 1.93 -0.89 1.09 -4.23 -1.26 -0.66 115.64 109.53 2kb5 s THR 132 Ca 0.22 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.59 2kb5 s THR 132 Cb -0.02 -1.95 0.06 0.00 1.34 0.00 0.00 72.50 71.93 2kb5 s THR 132 CO 0.02 0.19 0.73 -0.38 -0.54 0.00 0.00 174.62 174.64