#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 2.75 0.59 7.83 0.01 -1.26 -5.15 113.70 118.46 2kb3 s SER 2 Ca 0.00 -1.56 -0.09 0.00 1.31 0.00 0.00 55.95 55.62 2kb3 s SER 2 Cb 0.00 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2kb3 s SER 2 CO 0.00 -0.80 0.95 1.51 0.41 0.00 0.00 173.24 175.31 2kb3 s ASP 3 N -3.58 6.05 0.12 2.44 -4.77 -1.26 -5.08 116.67 110.59 2kb3 s ASP 3 Ca 0.27 1.14 0.07 0.00 -3.30 0.00 0.00 52.55 50.73 2kb3 s ASP 3 Cb 0.05 -2.23 -0.04 0.00 -1.09 0.00 0.00 42.92 39.61 2kb3 s ASP 3 CO 0.14 -0.87 -0.09 0.54 0.70 0.00 0.00 175.17 175.59 2kb3 s ASN 4 N -4.20 4.41 -0.08 2.11 2.20 -1.26 -4.97 114.94 113.15 2kb3 s ASN 4 Ca 0.53 -0.41 0.11 0.00 -0.94 0.00 0.00 52.86 52.15 2kb3 s ASN 4 Cb -0.11 -0.84 0.17 0.00 -2.00 0.00 0.00 41.25 38.48 2kb3 s ASN 4 CO 0.50 0.16 1.08 -3.20 -2.94 0.00 0.00 177.10 172.69 2kb3 n ASN 5 N 0.53 2.06 -0.05 3.54 2.85 -1.26 -4.64 115.26 118.30 2kb3 n ASN 5 Ca -0.13 -2.62 -0.05 0.00 -0.11 0.00 0.00 54.58 51.67 2kb3 n ASN 5 Cb 0.53 -0.26 0.15 0.00 1.24 0.00 0.00 39.78 41.44 2kb3 n ASN 5 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2kb3 h GLY 6 N 0.00 0.71 -7.59 8.20 0.00 -2.05 -3.35 103.07 98.99 2kb3 h GLY 6 Ca 0.00 -0.56 -0.70 0.00 0.00 0.00 0.00 47.33 46.07 2kb3 h GLY 6 CO 0.00 0.51 -0.57 -1.59 0.00 0.00 0.00 176.54 174.90 2kb3 s THR 7 N -4.64 3.72 0.41 4.70 2.01 -1.26 -5.08 115.64 115.49 2kb3 s THR 7 Ca -0.08 -1.40 -0.22 0.00 0.31 0.00 0.00 61.69 60.29 2kb3 s THR 7 Cb 0.14 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.30 2kb3 s THR 7 CO 0.81 -0.35 0.95 -2.16 -0.69 0.00 0.00 174.62 173.17 2kb3 s PRO 8 N 1.34 4.31 -0.27 4.92 0.04 -1.26 -5.03 135.00 139.06 2kb3 s PRO 8 Ca 0.01 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.19 2kb3 s PRO 8 Cb -0.21 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.04 2kb3 s PRO 8 CO 0.01 0.04 -0.02 -1.83 0.04 0.00 0.00 177.00 175.24 2kb3 s GLU 9 N -2.92 2.77 0.48 4.56 -1.05 -1.26 -5.08 118.70 116.20 2kb3 s GLU 9 Ca 0.59 -1.03 0.08 0.00 -0.15 0.00 0.00 54.97 54.46 2kb3 s GLU 9 Cb -0.11 -3.10 0.02 0.00 -0.44 0.00 0.00 34.13 30.50 2kb3 s GLU 9 CO 0.15 -0.47 0.49 -1.25 0.95 0.00 0.00 175.26 175.14 2kb3 s PRO 10 N 1.34 2.45 0.26 -4.83 0.04 -1.26 -5.15 135.00 127.86 2kb3 s PRO 10 Ca -0.01 -1.64 0.05 0.00 0.04 0.00 0.00 61.00 59.44 2kb3 s PRO 10 Cb -0.18 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.90 2kb3 s PRO 10 CO -0.02 -0.45 -0.01 -0.65 0.04 0.00 0.00 177.00 175.91 2kb3 s GLN 11 N -4.31 1.46 -0.24 4.56 1.11 -1.26 -5.10 119.66 115.88 2kb3 s GLN 11 Ca 0.48 -1.76 -0.07 0.00 0.01 0.00 0.00 55.36 54.03 2kb3 s GLN 11 Cb -0.04 -0.83 -0.02 0.00 -1.01 0.00 0.00 33.01 31.10 2kb3 s GLN 11 CO 0.29 -0.07 0.05 0.08 0.01 0.00 0.00 175.29 175.65 2kb3 s VAL 12 N -3.27 4.13 0.18 1.09 1.01 -1.26 -5.07 120.40 117.22 2kb3 s VAL 12 Ca 0.30 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2kb3 s VAL 12 Cb 0.06 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2kb3 s VAL 12 CO 0.11 0.36 -0.18 -0.70 0.00 0.00 0.00 175.10 174.68 2kb3 s GLU 13 N 1.58 1.34 0.10 2.72 2.56 -1.26 -5.17 118.70 120.57 2kb3 s GLU 13 Ca 0.06 -1.48 0.05 0.00 0.00 0.00 0.00 54.97 53.60 2kb3 s GLU 13 Cb -0.15 -1.39 -0.03 0.00 2.00 0.00 0.00 34.13 34.56 2kb3 s GLU 13 CO 0.02 0.28 -0.13 0.99 -0.56 0.00 0.00 175.26 175.86 2kb3 s THR 14 N -2.19 1.13 0.01 -1.70 2.01 -1.26 -5.15 115.64 108.49 2kb3 s THR 14 Ca 0.18 -1.59 -0.19 0.00 0.31 0.00 0.00 61.69 60.40 2kb3 s THR 14 Cb -0.05 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.14 2kb3 s THR 14 CO 0.08 -0.42 0.42 -0.44 -0.69 0.00 0.00 174.62 173.56 2kb3 s SER 16 N -2.28 -0.31 -0.24 3.53 0.01 -0.34 -3.31 113.70 110.77 2kb3 s SER 16 Ca 0.05 0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 2kb3 s SER 16 Cb -0.05 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.59 2kb3 s SER 16 CO 0.02 -0.59 -0.05 -0.69 0.41 0.00 0.00 173.24 172.34 2kb3 s VAL 17 N -1.91 3.11 -0.11 3.43 1.01 -1.26 -4.48 120.40 120.18 2kb3 s VAL 17 Ca -0.09 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2kb3 s VAL 17 Cb -0.02 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2kb3 s VAL 17 CO 0.02 0.30 -0.19 0.72 0.00 0.00 0.00 175.10 175.95 2kb3 s PHE 18 N 1.40 2.22 -0.67 5.22 -0.12 -1.26 -5.02 117.98 119.75 2kb3 s PHE 18 Ca 0.03 -1.00 -0.08 0.00 -0.05 0.00 0.00 56.93 55.83 2kb3 s PHE 18 Cb -0.15 -1.54 0.17 0.00 -0.63 0.00 0.00 43.02 40.87 2kb3 s PHE 18 CO -0.04 -0.46 0.54 1.03 -0.05 0.00 0.00 175.22 176.24 2kb3 s ARG 19 N 0.72 2.92 0.00 1.99 0.52 -1.26 -4.78 118.95 119.07 2kb3 s ARG 19 Ca -0.11 -2.36 0.00 0.00 -0.52 0.00 0.00 55.73 52.73 2kb3 s ARG 19 Cb -0.16 -4.02 0.00 0.00 0.52 0.00 0.00 34.95 31.29 2kb3 s ARG 19 CO 0.02 -1.22 0.00 0.00 0.02 0.00 0.00 175.30 174.12 2kb3 n ALA 20 N 3.93 0.00 0.56 2.13 0.00 -1.26 -4.98 120.51 120.88 2kb3 n ALA 20 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.56 2kb3 n ALA 20 Cb 0.42 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.15 2kb3 n ALA 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kb3 n ASP 21 N 0.00 0.00 0.25 0.00 2.03 -1.26 -2.82 116.55 114.74 2kb3 n ASP 21 Ca 0.00 -0.07 0.17 0.00 0.52 0.00 0.00 54.79 55.41 2kb3 n ASP 21 Cb 0.00 -0.16 0.88 0.00 -0.72 0.00 0.00 41.12 41.12 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kb3 h LEU 22 N 0.00 0.00 -1.63 -2.67 8.10 -1.92 0.58 115.31 117.77 2kb3 h LEU 22 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 2kb3 h LEU 22 Cb 0.05 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.27 2kb3 h LEU 22 CO 0.00 0.00 -0.16 0.17 -4.11 0.00 0.00 178.44 174.34 2kb3 h LEU 23 N 0.00 0.00 0.00 0.17 8.10 -1.93 -2.26 115.31 119.39 2kb3 h LEU 23 Ca 0.05 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.77 2kb3 h LEU 23 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.49 2kb3 h LEU 23 CO -0.00 0.16 -1.58 0.50 -4.11 0.00 0.00 178.44 173.41 2kb3 h LYS 24 N 0.00 0.00 -0.61 0.17 3.64 -1.17 -3.28 116.57 115.32 2kb3 h LYS 24 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2kb3 h LYS 24 Cb 0.49 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 2kb3 h LYS 24 CO 0.02 0.56 0.32 0.93 -2.27 0.00 0.00 179.45 179.01 2kb3 h GLU 25 N 0.00 0.58 -0.05 1.90 4.39 -1.02 -0.09 114.58 120.29 2kb3 h GLU 25 Ca -0.24 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2kb3 h GLU 25 Cb 1.95 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2kb3 h GLU 25 CO 0.09 0.38 0.00 0.00 -1.16 0.00 0.00 179.01 178.32 2kb3 n MET 26 N -4.84 1.29 -0.11 2.33 0.00 -1.09 -3.05 117.12 111.65 2kb3 n MET 26 Ca 0.07 -0.43 -0.23 0.00 0.00 0.00 0.00 57.70 57.11 2kb3 n MET 26 Cb 0.17 -1.39 -0.11 0.00 0.00 0.00 0.00 33.22 31.89 2kb3 n MET 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2kb3 n GLU 27 N -0.40 0.58 -0.24 3.17 4.07 -0.15 -2.79 120.64 124.87 2kb3 n GLU 27 Ca 0.17 0.51 -0.06 0.00 -0.06 0.00 0.00 57.16 57.72 2kb3 n GLU 27 Cb 0.19 -1.70 0.05 0.00 -0.06 0.00 0.00 31.44 29.92 2kb3 n GLU 27 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2kb3 h SER 28 N -0.96 0.82 0.59 4.31 0.02 -1.29 -2.26 113.55 114.78 2kb3 h SER 28 Ca -0.42 -0.07 -0.22 0.00 -0.84 0.00 0.00 61.79 60.24 2kb3 h SER 28 Cb 1.39 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2kb3 h SER 28 CO -0.24 0.65 -0.99 0.77 -1.14 0.00 0.00 176.83 175.87 2kb3 h SER 29 N 0.92 0.32 0.00 3.07 4.64 -1.75 -3.47 113.55 117.28 2kb3 h SER 29 Ca 0.24 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2kb3 h SER 29 Cb -0.02 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2kb3 h SER 29 CO -0.04 1.13 0.00 0.41 -0.87 0.00 0.00 176.83 177.46 2kb3 n THR 30 N -3.61 0.00 -3.06 2.95 -1.04 -0.85 -4.71 114.28 103.95 2kb3 n THR 30 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2kb3 n THR 30 Cb 0.88 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2kb3 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 31 N 0.00 4.07 3.73 3.41 0.00 -1.26 -4.86 105.19 110.28 2kb3 n GLY 31 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N -1.89 4.70 -0.24 2.61 2.01 -1.26 -4.93 115.64 116.64 2kb3 s THR 32 Ca 0.00 -0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 2kb3 s THR 32 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2kb3 s THR 32 CO 0.00 0.59 0.51 0.00 -0.69 0.00 0.00 174.62 175.02 2kb3 s ALA 33 N -0.72 3.58 0.71 7.40 0.00 -1.26 -5.06 121.76 126.41 2kb3 s ALA 33 Ca 0.12 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 2kb3 s ALA 33 Cb -0.12 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.17 2kb3 s ALA 33 CO 0.02 -0.63 1.23 -2.30 0.00 0.00 0.00 175.76 174.08 2kb3 n PRO 34 N 5.27 0.74 -2.30 0.00 -0.02 -1.26 -4.98 135.00 132.44 2kb3 n PRO 34 Ca -0.05 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.48 2kb3 n PRO 34 Cb 0.50 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 s ALA 35 N -1.68 3.24 0.01 3.55 0.00 -1.26 -4.99 121.76 120.63 2kb3 s ALA 35 Ca 0.79 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 2kb3 s ALA 35 Cb -0.35 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 2kb3 s ALA 35 CO 0.45 -0.98 1.64 -1.12 0.00 0.00 0.00 175.76 175.75 2kb3 s SER 36 N -4.38 6.65 0.22 0.00 0.01 -1.26 -4.93 113.70 110.01 2kb3 s SER 36 Ca 0.56 2.35 -0.32 0.00 1.31 0.00 0.00 55.95 59.85 2kb3 s SER 36 Cb -0.11 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.44 2kb3 s SER 36 CO 0.45 -0.89 1.44 0.41 0.41 0.00 0.00 173.24 175.06 2kb3 n THR 37 N 5.07 0.71 0.00 1.44 -1.04 -1.26 -3.01 114.28 116.20 2kb3 n THR 37 Ca 0.16 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kb3 n THR 37 Cb 0.42 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 38 N 2.44 1.07 0.16 3.41 0.00 -1.26 -4.93 105.19 106.08 2kb3 n GLY 38 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 h ALA 39 N 0.00 0.70 0.00 4.61 0.00 -1.80 -3.03 119.26 119.75 2kb3 h ALA 39 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2kb3 h ALA 39 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kb3 h ALA 39 CO 0.00 0.78 0.00 -0.85 0.00 0.00 0.00 179.25 179.18 2kb3 n GLU 40 N -3.82 0.87 0.15 0.00 -0.00 -1.26 -2.06 120.64 114.51 2kb3 n GLU 40 Ca -0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.26 2kb3 n GLU 40 Cb 0.69 -1.11 0.33 0.00 -0.00 0.00 0.00 31.44 31.35 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kb3 h ASN 41 N 0.00 0.00 -6.03 -1.84 4.21 -1.90 -3.49 115.58 106.53 2kb3 h ASN 41 Ca 0.00 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.26 2kb3 h ASN 41 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2kb3 h ASN 41 CO 0.00 0.00 -0.57 0.18 -1.29 0.00 0.00 177.43 175.75 2kb3 n LEU 42 N -2.57 -4.34 0.32 1.61 7.99 -0.88 -4.95 117.00 114.18 2kb3 n LEU 42 Ca 0.05 -0.55 -0.16 0.00 -0.01 0.00 0.00 56.01 55.33 2kb3 n LEU 42 Cb 0.46 -2.53 -0.08 0.00 -0.11 0.00 0.00 43.42 41.15 2kb3 n LEU 42 CO 0.31 -0.31 0.56 1.55 -1.51 0.00 0.00 177.39 177.99 2kb3 h PRO 43 N -0.15 -0.78 0.00 3.23 0.13 -1.89 -3.26 132.00 129.28 2kb3 h PRO 43 Ca -0.34 0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2kb3 h PRO 43 Cb 1.21 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2kb3 h PRO 43 CO 0.35 -0.47 -0.60 0.00 -0.23 0.00 0.00 178.00 177.05 2kb3 h ALA 44 N -0.65 0.73 0.00 -0.56 0.00 -1.97 -3.47 119.26 113.33 2kb3 h ALA 44 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kb3 h ALA 44 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kb3 h ALA 44 CO 0.14 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2kb3 n GLY 45 N 1.22 0.94 3.57 0.00 0.00 -1.23 -5.03 105.19 104.66 2kb3 n GLY 45 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.94 4.20 0.05 1.61 0.01 -1.26 -5.03 113.70 110.33 2kb3 s SER 46 Ca 0.00 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 56.57 2kb3 s SER 46 Cb 0.00 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.53 2kb3 s SER 46 CO 0.00 0.06 -0.03 0.00 0.41 0.00 0.00 173.24 173.68 2kb3 s ALA 47 N -2.04 0.45 0.12 1.44 0.00 -1.26 -3.90 121.76 116.57 2kb3 s ALA 47 Ca 0.28 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2kb3 s ALA 47 Cb -0.07 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2kb3 s ALA 47 CO 0.16 -0.30 -0.08 -0.48 0.00 0.00 0.00 175.76 175.07 2kb3 s LEU 48 N -2.54 2.50 0.00 0.00 -0.00 -0.01 -2.11 118.68 116.52 2kb3 s LEU 48 Ca 0.01 -1.02 0.05 0.00 -0.00 0.00 0.00 54.13 53.17 2kb3 s LEU 48 Cb 0.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 46.19 46.02 2kb3 s LEU 48 CO -0.07 -0.42 -0.15 -1.48 -0.00 0.00 0.00 176.35 174.23 2kb3 s LEU 49 N -3.10 2.06 -0.05 1.48 2.34 -0.21 -0.01 118.68 121.18 2kb3 s LEU 49 Ca 0.14 -0.31 0.03 0.00 0.06 0.00 0.00 54.13 54.06 2kb3 s LEU 49 Cb 0.04 -0.74 -0.03 0.00 -0.56 0.00 0.00 46.19 44.90 2kb3 s LEU 49 CO -0.02 0.16 -0.14 0.54 -1.06 0.00 0.00 176.35 175.83 2kb3 s VAL 50 N -0.45 3.11 -0.27 1.48 0.11 0.28 -1.40 120.40 123.25 2kb3 s VAL 50 Ca 0.05 -0.70 -0.28 0.00 -2.93 0.00 0.00 61.98 58.12 2kb3 s VAL 50 Cb -0.06 -2.22 0.01 0.00 -1.53 0.00 0.00 36.38 32.57 2kb3 s VAL 50 CO -0.00 0.59 1.01 -0.69 -3.33 0.00 0.00 175.10 172.68 2kb3 s VAL 51 N -0.70 4.64 -0.00 2.04 1.01 0.47 -0.13 120.40 127.72 2kb3 s VAL 51 Ca 0.11 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 63.89 2kb3 s VAL 51 Cb -0.11 -4.32 -0.26 0.00 0.00 0.00 0.00 36.38 31.69 2kb3 s VAL 51 CO 0.01 -0.29 0.83 0.50 0.00 0.00 0.00 175.10 176.15 2kb3 h LYS 52 N 7.77 0.20 -2.77 2.72 1.63 -1.04 -0.47 116.57 124.62 2kb3 h LYS 52 Ca -0.20 -0.33 -0.11 0.00 -0.85 0.00 0.00 60.65 59.15 2kb3 h LYS 52 Cb 1.07 0.12 -0.22 0.00 -0.60 0.00 0.00 32.23 32.60 2kb3 h LYS 52 CO 0.98 1.03 -0.20 0.50 -3.45 0.00 0.00 179.45 178.31 2kb3 s ARG 53 N -2.62 0.62 0.00 1.90 6.06 -0.63 -4.77 118.95 119.51 2kb3 s ARG 53 Ca -0.08 0.25 0.00 0.00 -2.50 0.00 0.00 55.73 53.39 2kb3 s ARG 53 Cb 0.07 0.29 0.00 0.00 0.06 0.00 0.00 34.95 35.37 2kb3 s ARG 53 CO 0.84 -0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.92 2kb3 n GLY 54 N 2.04 0.81 0.16 8.12 0.00 -1.26 -2.61 105.19 112.45 2kb3 n GLY 54 Ca -0.17 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.77 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 8.12 0.26 -0.47 1.61 0.11 -2.00 -2.77 132.00 136.85 2kb3 h PRO 55 Ca 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2kb3 h PRO 55 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2kb3 h PRO 55 CO 0.00 0.82 0.00 0.09 -0.21 0.00 0.00 178.00 178.70 2kb3 n ASN 56 N -3.84 2.41 -4.69 -2.05 4.13 -1.26 -4.96 115.26 105.01 2kb3 n ASN 56 Ca -0.03 -2.09 -0.44 0.00 1.68 0.00 0.00 54.58 53.70 2kb3 n ASN 56 Cb 0.65 -0.33 -0.04 0.00 -1.54 0.00 0.00 39.78 38.53 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 n ALA 57 N 0.62 2.00 0.00 5.41 0.00 -1.05 -1.29 120.51 126.20 2kb3 n ALA 57 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2kb3 n ALA 57 Cb 0.42 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.43 2kb3 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 58 N 3.70 3.09 3.89 0.00 0.00 -0.18 -4.98 105.19 110.71 2kb3 n GLY 58 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.79 3.42 0.04 4.61 0.00 -0.41 -4.85 121.76 121.78 2kb3 s ALA 59 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2kb3 s ALA 59 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 2kb3 s ALA 59 CO 0.00 -0.10 -0.04 -0.98 0.00 0.00 0.00 175.76 174.65 2kb3 s ARG 60 N -4.15 0.49 -0.07 0.00 1.70 -1.26 -0.40 118.95 115.26 2kb3 s ARG 60 Ca 0.48 -0.94 -0.10 0.00 -0.47 0.00 0.00 55.73 54.70 2kb3 s ARG 60 Cb -0.10 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.41 2kb3 s ARG 60 CO 0.36 -0.07 0.27 -0.59 -1.08 0.00 0.00 175.30 174.19 2kb3 s PHE 61 N -2.70 -0.24 0.00 5.89 -0.71 -0.49 -4.98 117.98 114.75 2kb3 s PHE 61 Ca -0.03 0.54 0.02 0.00 -1.04 0.00 0.00 56.93 56.42 2kb3 s PHE 61 Cb -0.01 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 2kb3 s PHE 61 CO -0.05 -0.22 -0.02 -0.48 -1.34 0.00 0.00 175.22 173.12 2kb3 s LEU 62 N -0.35 3.43 -0.61 -1.99 2.34 -1.26 -1.05 118.68 119.19 2kb3 s LEU 62 Ca -0.05 -0.05 -0.28 0.00 0.06 0.00 0.00 54.13 53.82 2kb3 s LEU 62 Cb -0.03 -1.97 0.03 0.00 -0.56 0.00 0.00 46.19 43.66 2kb3 s LEU 62 CO 0.01 0.28 1.20 -0.76 -1.06 0.00 0.00 176.35 176.02 2kb3 s LEU 63 N -1.55 3.41 -0.00 1.48 2.01 -0.90 -4.71 118.68 118.42 2kb3 s LEU 63 Ca 0.19 0.00 0.04 0.00 0.01 0.00 0.00 54.13 54.37 2kb3 s LEU 63 Cb -0.11 -3.05 -0.06 0.00 0.01 0.00 0.00 46.19 42.97 2kb3 s LEU 63 CO 0.10 -1.54 0.13 -0.67 1.01 0.00 0.00 176.35 175.38 2kb3 n ASP 64 N 8.59 2.45 -4.75 2.29 2.03 -1.26 -4.70 116.55 121.20 2kb3 n ASP 64 Ca 0.07 -0.24 -0.28 0.00 0.52 0.00 0.00 54.79 54.86 2kb3 n ASP 64 Cb 0.49 1.12 -0.07 0.00 -0.72 0.00 0.00 41.12 41.94 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -1.94 2.72 0.47 -0.67 0.00 -1.26 -5.02 119.66 113.96 2kb3 s GLN 65 Ca -0.00 -0.89 0.16 0.00 -0.00 0.00 0.00 55.36 54.63 2kb3 s GLN 65 Cb 0.03 -2.58 1.11 0.00 0.00 0.00 0.00 33.01 31.57 2kb3 s GLN 65 CO 0.18 0.50 2.03 -1.35 0.00 0.00 0.00 175.29 176.65 2kb3 h PRO 66 N 2.79 0.00 -2.65 9.60 0.11 -1.92 -3.42 132.00 136.51 2kb3 h PRO 66 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2kb3 h PRO 66 Cb 1.19 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.01 2kb3 h PRO 66 CO 0.62 0.15 -0.40 0.99 -0.21 0.00 0.00 178.00 179.15 2kb3 s THR 67 N -4.65 -0.43 -0.27 -1.15 2.01 -1.26 -0.47 115.64 109.43 2kb3 s THR 67 Ca -0.04 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2kb3 s THR 67 Cb 0.16 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 72.10 2kb3 s THR 67 CO 0.68 0.07 0.00 -0.89 -0.69 0.00 0.00 174.62 173.79 2kb3 s THR 68 N 2.24 3.29 -0.05 -0.82 2.01 0.80 -4.94 115.64 118.17 2kb3 s THR 68 Ca -0.03 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 2kb3 s THR 68 Cb -0.11 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 2kb3 s THR 68 CO -0.12 0.11 0.52 -0.89 -0.69 0.00 0.00 174.62 173.55 2kb3 s THR 69 N 1.38 5.04 -0.04 -0.82 2.01 -1.26 -0.08 115.64 121.87 2kb3 s THR 69 Ca 0.00 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.10 2kb3 s THR 69 Cb -0.17 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 2kb3 s THR 69 CO -0.01 0.41 -0.14 0.00 -0.69 0.00 0.00 174.62 174.18 2kb3 s ALA 70 N -0.02 1.31 0.00 7.40 0.00 -0.01 -0.80 121.76 129.65 2kb3 s ALA 70 Ca 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2kb3 s ALA 70 Cb -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2kb3 s ALA 70 CO 0.14 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2kb3 n GLY 71 N 3.20 0.01 3.83 0.00 0.00 -1.07 -2.69 105.19 108.46 2kb3 n GLY 71 Ca -0.18 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -2.00 4.06 0.00 1.61 6.06 0.23 -2.27 118.95 126.64 2kb3 s ARG 72 Ca 0.00 1.08 0.00 0.00 -2.50 0.00 0.00 55.73 54.31 2kb3 s ARG 72 Cb 0.00 -2.15 0.00 0.00 0.06 0.00 0.00 34.95 32.86 2kb3 s ARG 72 CO 0.00 -0.18 0.00 0.72 -2.50 0.00 0.00 175.30 173.34 2kb3 n HIS 73 N -1.06 0.00 1.28 5.12 8.25 -1.26 -4.11 115.22 123.44 2kb3 n HIS 73 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 2kb3 n HIS 73 Cb 0.54 -0.61 0.43 0.00 1.12 0.00 0.00 29.99 31.47 2kb3 n HIS 73 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kb3 n PRO 74 N 1.71 0.64 0.14 -0.41 -0.04 -1.26 -1.91 135.00 133.87 2kb3 n PRO 74 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2kb3 n PRO 74 Cb 0.00 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 2kb3 n PRO 74 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2kb3 h GLU 75 N 0.00 0.00 -6.56 0.54 4.11 -1.97 -3.44 114.58 107.26 2kb3 h GLU 75 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 2kb3 h GLU 75 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2kb3 h GLU 75 CO 0.00 0.51 0.58 -1.12 0.07 0.00 0.00 179.01 179.05 2kb3 s SER 76 N -6.45 7.05 0.29 3.06 0.01 -0.80 -4.92 113.70 111.94 2kb3 s SER 76 Ca 0.04 2.14 0.02 0.00 1.31 0.00 0.00 55.95 59.46 2kb3 s SER 76 Cb 0.08 -2.59 0.59 0.00 0.21 0.00 0.00 66.02 64.30 2kb3 s SER 76 CO 0.75 -0.45 1.85 -0.78 0.41 0.00 0.00 173.24 175.01 2kb3 h ASP 77 N 6.18 0.89 -3.20 2.44 3.58 -1.61 -3.37 116.42 121.33 2kb3 h ASP 77 Ca -0.43 0.04 -0.67 0.00 0.42 0.00 0.00 57.03 56.39 2kb3 h ASP 77 Cb 1.21 -0.14 -0.34 0.00 1.72 0.00 0.00 39.33 41.79 2kb3 h ASP 77 CO 0.79 0.48 -0.86 -0.63 -2.88 0.00 0.00 179.24 176.14 2kb3 s ILE 78 N -5.92 2.13 -0.46 2.25 -1.09 0.02 -4.96 121.20 113.17 2kb3 s ILE 78 Ca -0.12 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.17 2kb3 s ILE 78 Cb 0.22 -1.86 0.04 0.00 -1.58 0.00 0.00 42.46 39.28 2kb3 s ILE 78 CO 0.81 0.55 0.53 0.12 -1.23 0.00 0.00 174.94 175.71 2kb3 s PHE 79 N 0.85 3.12 -0.24 3.97 5.36 -1.26 -2.61 117.98 127.17 2kb3 s PHE 79 Ca -0.06 -0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 55.45 2kb3 s PHE 79 Cb -0.15 -3.21 0.01 0.00 -0.34 0.00 0.00 43.02 39.32 2kb3 s PHE 79 CO -0.03 -0.85 -0.03 -0.51 -1.46 0.00 0.00 175.22 172.34 2kb3 s LEU 80 N 2.38 3.12 -0.28 6.12 1.43 -0.96 -4.91 118.68 125.58 2kb3 s LEU 80 Ca 0.14 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 2kb3 s LEU 80 Cb -0.18 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2kb3 s LEU 80 CO 0.13 -0.08 1.20 -0.62 0.23 0.00 0.00 176.35 177.21 2kb3 s ASP 81 N 1.43 6.84 0.42 2.29 2.15 -1.26 -3.61 116.67 124.93 2kb3 s ASP 81 Ca 0.03 1.25 -0.01 0.00 0.43 0.00 0.00 52.55 54.25 2kb3 s ASP 81 Cb -0.15 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 2kb3 s ASP 81 CO -0.03 -0.92 0.66 -0.62 -0.17 0.00 0.00 175.17 174.09 2kb3 s ASP 82 N 2.13 6.13 0.24 -0.34 2.15 -1.26 -4.83 116.67 120.89 2kb3 s ASP 82 Ca 0.51 0.55 -0.02 0.00 0.43 0.00 0.00 52.55 54.03 2kb3 s ASP 82 Cb -0.16 -1.94 0.26 0.00 -0.30 0.00 0.00 42.92 40.78 2kb3 s ASP 82 CO 0.18 -0.52 1.65 0.58 -0.17 0.00 0.00 175.17 176.89 2kb3 h VAL 83 N 0.47 1.27 -4.18 1.11 2.07 -1.95 -3.46 116.25 111.58 2kb3 h VAL 83 Ca -0.48 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 65.60 2kb3 h VAL 83 Cb 1.23 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2kb3 h VAL 83 CO 0.60 0.44 -0.05 0.35 0.02 0.00 0.00 177.57 178.93 2kb3 n THR 84 N -4.10 0.00 -2.76 2.57 -2.24 -1.26 -5.04 114.28 101.46 2kb3 n THR 84 Ca -0.00 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 2kb3 n THR 84 Cb 0.44 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 2kb3 n THR 84 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kb3 s VAL 85 N -0.93 4.20 -0.50 2.28 1.01 -1.26 -4.86 120.40 120.35 2kb3 s VAL 85 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2kb3 s VAL 85 Cb -0.00 -4.81 0.15 0.00 0.00 0.00 0.00 36.38 31.72 2kb3 s VAL 85 CO 0.01 -1.63 0.32 -0.44 0.00 0.00 0.00 175.10 173.35 2kb3 s SER 86 N 3.88 3.48 -0.04 3.32 0.01 -1.26 -1.19 113.70 121.90 2kb3 s SER 86 Ca 0.31 -3.00 -0.23 0.00 1.31 0.00 0.00 55.95 54.34 2kb3 s SER 86 Cb -0.10 -1.06 -0.26 0.00 0.21 0.00 0.00 66.02 64.81 2kb3 s SER 86 CO 0.04 -0.21 0.99 0.08 0.41 0.00 0.00 173.24 174.56 2kb3 h ARG 87 N 6.20 0.27 -3.89 12.44 0.11 -1.70 0.67 114.38 128.48 2kb3 h ARG 87 Ca 0.08 -0.34 -0.74 0.00 0.10 0.00 0.00 59.98 59.08 2kb3 h ARG 87 Cb 0.88 0.11 -0.30 0.00 1.11 0.00 0.00 29.97 31.77 2kb3 h ARG 87 CO 0.52 1.07 -0.21 1.03 0.10 0.00 0.00 179.97 182.48 2kb3 s ARG 88 N -2.89 2.91 -0.25 0.08 1.81 -1.26 -3.61 118.95 115.74 2kb3 s ARG 88 Ca -0.15 -2.26 -0.15 0.00 -1.72 0.00 0.00 55.73 51.45 2kb3 s ARG 88 Cb 0.01 -4.04 -0.10 0.00 -0.45 0.00 0.00 34.95 30.37 2kb3 s ARG 88 CO 0.79 -1.23 -0.34 1.58 -0.68 0.00 0.00 175.30 175.42 2kb3 n HIS 89 N 4.12 0.03 -3.85 -0.53 -0.00 -1.20 -4.41 115.22 109.38 2kb3 n HIS 89 Ca 0.05 0.02 -0.12 0.00 -0.00 0.00 0.00 57.72 57.66 2kb3 n HIS 89 Cb 0.42 -0.84 -0.12 0.00 -0.00 0.00 0.00 29.99 29.45 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.64 -0.31 -0.05 1.57 0.00 -1.10 -0.79 121.76 118.45 2kb3 s ALA 90 Ca -0.35 0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.83 2kb3 s ALA 90 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2kb3 s ALA 90 CO 0.47 -0.12 -0.22 -1.83 0.00 0.00 0.00 175.76 174.06 2kb3 s GLU 91 N -0.48 2.23 -0.34 0.00 -1.05 0.30 -0.83 118.70 118.53 2kb3 s GLU 91 Ca -0.06 -0.79 -0.10 0.00 -0.15 0.00 0.00 54.97 53.87 2kb3 s GLU 91 Cb -0.04 -1.92 0.01 0.00 -0.44 0.00 0.00 34.13 31.74 2kb3 s GLU 91 CO 0.01 0.34 0.18 -0.06 0.95 0.00 0.00 175.26 176.67 2kb3 s PHE 92 N -0.11 3.20 -0.19 4.83 0.40 0.89 -0.59 117.98 126.41 2kb3 s PHE 92 Ca -0.03 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.56 2kb3 s PHE 92 Cb -0.13 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 2kb3 s PHE 92 CO 0.03 -0.52 -0.05 1.03 0.70 0.00 0.00 175.22 176.41 2kb3 s ARG 93 N 1.60 3.46 -0.32 0.44 0.52 0.12 -0.14 118.95 124.63 2kb3 s ARG 93 Ca 0.04 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.55 2kb3 s ARG 93 Cb -0.18 -2.95 -0.00 0.00 0.52 0.00 0.00 34.95 32.34 2kb3 s ARG 93 CO 0.07 -0.03 0.16 0.42 0.02 0.00 0.00 175.30 175.94 2kb3 s ILE 94 N 1.05 4.65 -0.10 1.52 1.09 0.39 -0.04 121.20 129.76 2kb3 s ILE 94 Ca 0.01 -0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 59.11 2kb3 s ILE 94 Cb -0.15 -3.39 0.03 0.00 -1.06 0.00 0.00 42.46 37.89 2kb3 s ILE 94 CO 0.00 0.03 -0.05 0.21 -0.10 0.00 0.00 174.94 175.03 2kb3 s ASN 95 N 1.62 1.95 -1.45 3.58 2.47 0.12 -4.77 114.94 118.44 2kb3 s ASN 95 Ca 0.04 -0.23 -0.03 0.00 0.42 0.00 0.00 52.86 53.06 2kb3 s ASN 95 Cb -0.17 -0.70 0.03 0.00 -1.45 0.00 0.00 41.25 38.95 2kb3 s ASN 95 CO 0.07 -0.14 0.49 -0.62 -3.72 0.00 0.00 177.10 173.18 2kb3 n GLU 96 N 4.95 -3.36 -0.34 0.43 4.71 -1.26 -1.57 120.64 124.21 2kb3 n GLU 96 Ca -0.11 0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2kb3 n GLU 96 Cb 0.50 -4.64 0.00 0.00 -1.01 0.00 0.00 31.44 26.29 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kb3 n GLY 97 N -1.89 2.18 3.81 0.62 0.00 -1.26 -5.00 105.19 103.64 2kb3 n GLY 97 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.05 3.20 -0.29 1.61 2.02 -0.61 -5.04 118.70 119.54 2kb3 s GLU 98 Ca 0.00 -0.37 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 2kb3 s GLU 98 Cb 0.00 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 2kb3 s GLU 98 CO 0.00 0.69 0.13 -0.06 0.02 0.00 0.00 175.26 176.04 2kb3 s PHE 99 N -1.14 3.16 -0.16 1.61 0.40 -1.26 -0.71 117.98 119.88 2kb3 s PHE 99 Ca 0.20 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 2kb3 s PHE 99 Cb -0.12 -2.32 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 2kb3 s PHE 99 CO 0.11 -0.43 -0.09 -1.21 0.70 0.00 0.00 175.22 174.30 2kb3 s GLU 100 N 1.61 3.40 -0.21 0.44 2.02 0.94 -2.10 118.70 124.81 2kb3 s GLU 100 Ca 0.05 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 2kb3 s GLU 100 Cb -0.17 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 2kb3 s GLU 100 CO 0.06 0.07 0.02 0.08 0.02 0.00 0.00 175.26 175.50 2kb3 s VAL 101 N 0.76 4.07 -0.19 2.63 1.01 0.08 0.14 120.40 128.89 2kb3 s VAL 101 Ca -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 2kb3 s VAL 101 Cb -0.15 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2kb3 s VAL 101 CO 0.02 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 2kb3 s VAL 102 N 1.09 3.35 -0.11 2.92 1.01 0.24 -0.67 120.40 128.22 2kb3 s VAL 102 Ca 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2kb3 s VAL 102 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2kb3 s VAL 102 CO 0.02 0.46 -0.01 -0.62 0.00 0.00 0.00 175.10 174.94 2kb3 s ASP 103 N 1.09 5.10 0.00 3.32 2.15 0.12 -0.54 116.67 127.92 2kb3 s ASP 103 Ca 0.01 0.05 0.04 0.00 0.43 0.00 0.00 52.55 53.08 2kb3 s ASP 103 Cb -0.15 -1.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.94 2kb3 s ASP 103 CO -0.01 0.30 0.63 1.33 -0.17 0.00 0.00 175.17 177.25 2kb3 n VAL 104 N 2.64 0.01 -1.64 1.11 0.24 0.03 -4.65 118.33 116.07 2kb3 n VAL 104 Ca -0.18 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.34 61.47 2kb3 n VAL 104 Cb 0.53 1.08 0.13 0.00 -1.47 0.00 0.00 33.84 34.10 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N 0.22 5.56 0.41 7.63 0.00 -1.08 -4.72 105.19 113.20 2kb3 n GLY 105 Ca 0.02 -1.86 0.21 0.00 0.00 0.00 0.00 46.02 44.39 2kb3 n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kb3 h SER 106 N 1.52 0.36 0.59 1.61 0.02 -1.84 0.23 113.55 116.04 2kb3 h SER 106 Ca 0.31 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2kb3 h SER 106 Cb 1.45 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 2kb3 h SER 106 CO 0.64 0.13 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.25 2kb3 h LEU 107 N 0.35 0.00 0.00 5.07 4.07 -1.94 -2.35 115.31 120.51 2kb3 h LEU 107 Ca 0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.43 2kb3 h LEU 107 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2kb3 h LEU 107 CO -0.17 0.14 -0.65 -1.13 -1.08 0.00 0.00 178.44 175.56 2kb3 h ASN 108 N 0.00 0.00 0.00 -0.43 -1.24 -0.76 -3.43 115.58 109.71 2kb3 h ASN 108 Ca -0.00 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.96 2kb3 h ASN 108 Cb 0.48 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.53 2kb3 h ASN 108 CO 0.02 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.79 2kb3 n GLY 109 N 1.20 0.98 3.71 1.57 0.00 -0.88 -4.45 105.19 107.32 2kb3 n GLY 109 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N -0.79 4.55 0.02 2.61 2.01 -1.24 -4.01 115.64 118.79 2kb3 s THR 110 Ca 0.00 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.85 2kb3 s THR 110 Cb 0.00 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 2kb3 s THR 110 CO 0.00 0.12 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.66 2kb3 s TYR 111 N 1.23 0.66 -0.14 4.92 2.02 -1.05 -3.66 117.35 121.33 2kb3 s TYR 111 Ca 0.54 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 2kb3 s TYR 111 Cb -0.24 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 40.95 2kb3 s TYR 111 CO 0.27 -0.03 -0.05 0.08 -1.57 0.00 0.00 175.55 174.24 2kb3 s VAL 112 N -0.70 0.97 -1.33 0.71 1.01 0.97 0.24 120.40 122.26 2kb3 s VAL 112 Ca -0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2kb3 s VAL 112 Cb -0.06 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2kb3 s VAL 112 CO 0.00 0.23 0.95 0.59 0.00 0.00 0.00 175.10 176.87 2kb3 n ASN 113 N 4.94 -3.33 0.00 3.32 3.02 -0.04 -1.29 115.26 121.89 2kb3 n ASN 113 Ca -0.11 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2kb3 n ASN 113 Cb 0.49 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 2kb3 n ASN 113 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kb3 n ARG 114 N -4.49 -1.61 -4.86 3.52 0.00 -1.26 -4.68 116.66 103.29 2kb3 n ARG 114 Ca -0.16 0.40 -0.33 0.00 -0.00 0.00 0.00 57.85 57.76 2kb3 n ARG 114 Cb 0.62 -4.74 -0.13 0.00 0.00 0.00 0.00 32.46 28.20 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kb3 s GLU 115 N -1.70 2.78 0.29 -0.14 2.02 -0.41 -5.05 118.70 116.48 2kb3 s GLU 115 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 2kb3 s GLU 115 Cb 0.00 -2.46 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 2kb3 s GLU 115 CO 0.00 0.50 1.30 -1.25 0.02 0.00 0.00 175.26 175.83 2kb3 s PRO 116 N -0.39 4.38 0.13 0.39 0.04 -1.26 -0.02 135.00 138.26 2kb3 s PRO 116 Ca 0.04 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 2kb3 s PRO 116 Cb -0.12 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2kb3 s PRO 116 CO 0.02 -0.19 0.11 1.03 0.04 0.00 0.00 177.00 178.01 2kb3 s ARG 117 N -1.22 0.95 -0.03 4.56 1.81 -1.24 -4.89 118.95 118.89 2kb3 s ARG 117 Ca 0.51 -1.33 0.01 0.00 -1.72 0.00 0.00 55.73 53.20 2kb3 s ARG 117 Cb -0.39 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.37 2kb3 s ARG 117 CO 0.47 -0.29 -0.02 0.09 -0.68 0.00 0.00 175.30 174.88 2kb3 n ASN 118 N -0.10 3.88 -3.80 0.23 4.13 -1.26 -4.70 115.26 113.64 2kb3 n ASN 118 Ca -0.07 -0.01 -0.13 0.00 1.68 0.00 0.00 54.58 56.05 2kb3 n ASN 118 Cb 0.63 0.10 -0.12 0.00 -1.54 0.00 0.00 39.78 38.85 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.07 -0.54 -0.18 5.41 0.00 -1.26 0.16 121.76 123.28 2kb3 s ALA 119 Ca -0.04 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 2kb3 s ALA 119 Cb 0.01 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2kb3 s ALA 119 CO 0.09 -0.10 0.44 -1.14 0.00 0.00 0.00 175.76 175.05 2kb3 s GLN 120 N 0.12 0.43 -0.28 0.00 -0.44 0.15 -5.00 119.66 114.65 2kb3 s GLN 120 Ca -0.00 0.83 -0.26 0.00 -2.50 0.00 0.00 55.36 53.43 2kb3 s GLN 120 Cb -0.02 0.00 0.00 0.00 -1.64 0.00 0.00 33.01 31.36 2kb3 s GLN 120 CO 0.00 -0.15 0.91 0.08 0.50 0.00 0.00 175.29 176.63 2kb3 s VAL 121 N 1.39 4.72 0.17 1.34 1.01 -1.26 -0.74 120.40 127.02 2kb3 s VAL 121 Ca -0.09 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.30 2kb3 s VAL 121 Cb -0.08 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2kb3 s VAL 121 CO -0.13 -0.24 0.61 -0.04 0.00 0.00 0.00 175.10 175.29 2kb3 s MET 122 N 3.13 4.06 0.13 2.72 1.00 -0.89 -4.99 119.30 124.47 2kb3 s MET 122 Ca 0.38 0.61 0.06 0.00 0.00 0.00 0.00 55.69 56.74 2kb3 s MET 122 Cb -0.14 -2.90 -0.04 0.00 0.00 0.00 0.00 34.83 31.74 2kb3 s MET 122 CO 0.11 0.45 -0.13 -0.65 0.00 0.00 0.00 175.02 174.79 2kb3 s GLN 123 N -1.99 1.05 0.26 2.03 -0.21 -1.26 -4.75 119.66 114.79 2kb3 s GLN 123 Ca 0.40 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.18 2kb3 s GLN 123 Cb -0.15 -0.87 -0.11 0.00 1.00 0.00 0.00 33.01 32.88 2kb3 s GLN 123 CO 0.20 0.16 1.54 -0.08 -2.12 0.00 0.00 175.29 174.99 2kb3 s THR 124 N -2.39 2.32 0.00 -0.19 -1.32 -1.26 -2.43 115.64 110.37 2kb3 s THR 124 Ca 0.11 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2kb3 s THR 124 Cb -0.03 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 2kb3 s THR 124 CO 0.03 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2kb3 n GLY 125 N 2.41 0.21 3.85 6.08 0.00 0.13 -4.79 105.19 113.08 2kb3 n GLY 125 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kb3 s ASP 126 N -2.20 6.71 -0.10 1.61 1.47 -1.02 -4.63 116.67 118.51 2kb3 s ASP 126 Ca 0.00 1.37 0.03 0.00 1.18 0.00 0.00 52.55 55.13 2kb3 s ASP 126 Cb 0.00 -2.41 0.00 0.00 -0.34 0.00 0.00 42.92 40.17 2kb3 s ASP 126 CO 0.00 -0.36 -0.21 -1.83 0.68 0.00 0.00 175.17 173.46 2kb3 s GLU 127 N -3.46 2.70 -0.14 2.11 -1.05 -1.26 -0.43 118.70 117.17 2kb3 s GLU 127 Ca 0.56 -0.76 -0.04 0.00 -0.15 0.00 0.00 54.97 54.58 2kb3 s GLU 127 Cb -0.10 -2.10 -0.03 0.00 -0.44 0.00 0.00 34.13 31.46 2kb3 s GLU 127 CO 0.23 0.11 -0.02 0.42 0.95 0.00 0.00 175.26 176.95 2kb3 s ILE 128 N 0.50 4.06 -0.24 1.83 1.01 0.96 -0.86 121.20 128.47 2kb3 s ILE 128 Ca -0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 2kb3 s ILE 128 Cb -0.17 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2kb3 s ILE 128 CO 0.06 0.51 0.09 -1.58 0.00 0.00 0.00 174.94 174.02 2kb3 s GLN 129 N 0.12 3.79 -0.40 2.79 0.74 0.14 -0.12 119.66 126.71 2kb3 s GLN 129 Ca 0.00 -0.41 -0.07 0.00 0.05 0.00 0.00 55.36 54.93 2kb3 s GLN 129 Cb -0.13 -3.36 0.08 0.00 1.10 0.00 0.00 33.01 30.70 2kb3 s GLN 129 CO 0.02 -0.07 0.22 0.42 -0.55 0.00 0.00 175.29 175.33 2kb3 s ILE 130 N 1.34 3.85 0.00 -2.34 1.09 0.10 -2.52 121.20 122.72 2kb3 s ILE 130 Ca 0.05 -1.58 0.00 0.00 -1.10 0.00 0.00 60.65 58.03 2kb3 s ILE 130 Cb -0.15 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 2kb3 s ILE 130 CO 0.04 -0.52 0.00 0.61 -0.10 0.00 0.00 174.94 174.98 2kb3 n GLY 131 N 4.80 1.36 0.58 6.18 0.00 -1.26 -1.52 105.19 115.33 2kb3 n GLY 131 Ca -0.08 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 2.14 -4.38 1.61 2.85 -1.26 -4.82 118.16 114.30 2kb3 n LYS 132 Ca 0.00 -1.77 -0.22 0.00 -1.05 0.00 0.00 58.31 55.27 2kb3 n LYS 132 Cb 0.00 -1.25 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb3 s PHE 133 N -0.98 1.97 -0.07 5.58 -0.12 -0.58 -4.93 117.98 118.87 2kb3 s PHE 133 Ca 0.20 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.67 2kb3 s PHE 133 Cb 0.11 -0.93 -0.02 0.00 -0.63 0.00 0.00 43.02 41.55 2kb3 s PHE 133 CO 0.15 0.46 -0.18 1.03 -0.05 0.00 0.00 175.22 176.64 2kb3 s ARG 134 N -3.20 2.68 -0.02 1.99 0.52 -1.07 0.03 118.95 119.88 2kb3 s ARG 134 Ca 0.22 -0.76 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 2kb3 s ARG 134 Cb -0.04 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 2kb3 s ARG 134 CO 0.09 0.47 -0.21 -0.51 0.02 0.00 0.00 175.30 175.16 2kb3 s LEU 135 N -0.34 2.04 -0.16 2.53 1.02 0.83 -0.37 118.68 124.22 2kb3 s LEU 135 Ca 0.03 -0.39 -0.02 0.00 0.02 0.00 0.00 54.13 53.77 2kb3 s LEU 135 Cb -0.13 -1.11 -0.01 0.00 0.02 0.00 0.00 46.19 44.96 2kb3 s LEU 135 CO 0.02 0.26 -0.09 -0.69 0.02 0.00 0.00 176.35 175.88 2kb3 s VAL 136 N -0.48 3.31 -0.12 -1.59 1.01 0.82 -0.03 120.40 123.32 2kb3 s VAL 136 Ca 0.08 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2kb3 s VAL 136 Cb -0.09 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2kb3 s VAL 136 CO -0.01 0.49 0.64 0.12 0.00 0.00 0.00 175.10 176.34 2kb3 s PHE 137 N 0.70 3.50 0.02 5.22 5.36 0.42 -0.56 117.98 132.64 2kb3 s PHE 137 Ca -0.04 1.08 0.04 0.00 -0.96 0.00 0.00 56.93 57.05 2kb3 s PHE 137 Cb -0.15 -2.76 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 2kb3 s PHE 137 CO 0.02 0.01 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.16 2kb3 s LEU 138 N 1.16 2.12 -0.23 6.12 1.43 0.98 0.23 118.68 130.49 2kb3 s LEU 138 Ca 0.33 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 2kb3 s LEU 138 Cb -0.17 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 2kb3 s LEU 138 CO 0.14 0.05 0.04 0.00 0.23 0.00 0.00 176.35 176.81 2kb3 s ALA 139 N -0.64 3.11 0.00 4.21 0.00 -1.26 -0.83 121.76 126.34 2kb3 s ALA 139 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2kb3 s ALA 139 Cb -0.06 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.11 2kb3 s ALA 139 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2kb3 n GLY 140 N 4.64 0.64 3.67 0.00 0.00 -1.25 -4.63 105.19 108.25 2kb3 n GLY 140 Ca -0.17 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2kb3 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb3 s PRO 141 N 0.00 0.98 0.00 1.61 0.02 -1.26 -4.92 135.00 131.43 2kb3 s PRO 141 Ca 0.00 1.24 0.30 0.00 0.02 0.00 0.00 61.00 62.55 2kb3 s PRO 141 Cb 0.00 -1.75 1.42 0.00 0.02 0.00 0.00 34.50 34.19 2kb3 s PRO 141 CO 0.00 -2.55 1.96 0.00 -0.33 0.00 0.00 177.00 176.07 2kb3 n ALA 142 N -4.15 2.67 -0.83 -1.55 0.00 -1.26 -5.08 120.51 110.31 2kb3 n ALA 142 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2kb3 n ALA 142 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59