#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 5.67 0.09 7.83 0.01 -1.26 -4.97 113.70 121.06 2kb3 s SER 2 Ca 0.00 0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.49 2kb3 s SER 2 Cb 0.00 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2kb3 s SER 2 CO 0.00 -2.08 0.31 -1.81 0.41 0.00 0.00 173.24 170.07 2kb3 s ASP 3 N 6.36 6.47 -0.67 2.44 1.01 -1.26 -5.04 116.67 125.98 2kb3 s ASP 3 Ca 0.59 0.51 -0.22 0.00 0.71 0.00 0.00 52.55 54.14 2kb3 s ASP 3 Cb -0.12 -2.06 0.07 0.00 1.01 0.00 0.00 42.92 41.82 2kb3 s ASP 3 CO 0.22 0.14 0.97 0.21 0.21 0.00 0.00 175.17 176.91 2kb3 s ASN 4 N -2.24 6.19 -0.14 0.27 3.84 -1.26 -5.01 114.94 116.59 2kb3 s ASN 4 Ca 0.36 -1.04 -0.07 0.00 0.21 0.00 0.00 52.86 52.32 2kb3 s ASN 4 Cb -0.13 -2.42 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 2kb3 s ASN 4 CO 0.23 -1.42 0.10 0.20 -2.79 0.00 0.00 177.10 173.42 2kb3 s ASN 5 N 3.69 6.03 0.00 -4.21 -0.87 -1.26 -4.49 114.94 113.83 2kb3 s ASN 5 Ca 0.22 0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 2kb3 s ASN 5 Cb -0.16 -1.95 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 2kb3 s ASN 5 CO 0.09 0.32 0.00 0.61 -2.57 0.00 0.00 177.10 175.55 2kb3 n GLY 6 N 2.55 2.02 3.44 0.66 0.00 -1.26 -5.08 105.19 107.53 2kb3 n GLY 6 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 7 N -1.82 5.19 0.42 2.61 2.01 -1.26 -5.06 115.64 117.74 2kb3 s THR 7 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 2kb3 s THR 7 Cb 0.00 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 2kb3 s THR 7 CO 0.00 -0.44 0.97 -2.16 -0.69 0.00 0.00 174.62 172.31 2kb3 s PRO 8 N 1.82 4.22 0.09 4.92 0.05 -1.26 -5.02 135.00 139.81 2kb3 s PRO 8 Ca 0.07 1.22 -0.30 0.00 0.05 0.00 0.00 61.00 62.04 2kb3 s PRO 8 Cb -0.20 -2.30 -0.05 0.00 0.05 0.00 0.00 34.50 32.00 2kb3 s PRO 8 CO 0.10 -0.05 1.01 -1.83 0.05 0.00 0.00 177.00 176.28 2kb3 s GLU 9 N -2.95 4.62 0.26 4.56 -1.05 -1.26 -4.98 118.70 117.90 2kb3 s GLU 9 Ca 0.61 1.52 -0.30 0.00 -0.15 0.00 0.00 54.97 56.65 2kb3 s GLU 9 Cb -0.13 -3.38 -0.10 0.00 -0.44 0.00 0.00 34.13 30.08 2kb3 s GLU 9 CO 0.17 0.07 1.41 -1.25 0.95 0.00 0.00 175.26 176.61 2kb3 s PRO 10 N 0.32 4.29 -0.05 -4.83 0.04 -1.26 -5.02 135.00 128.48 2kb3 s PRO 10 Ca 0.50 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.83 2kb3 s PRO 10 Cb -0.24 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2kb3 s PRO 10 CO 0.30 -0.37 -0.07 1.14 0.04 0.00 0.00 177.00 178.04 2kb3 s GLN 11 N -0.67 2.71 -0.15 4.56 -2.07 -1.26 -5.10 119.66 117.67 2kb3 s GLN 11 Ca 0.57 -0.58 0.02 0.00 -1.82 0.00 0.00 55.36 53.55 2kb3 s GLN 11 Cb -0.41 -2.57 0.01 0.00 -1.09 0.00 0.00 33.01 28.95 2kb3 s GLN 11 CO 0.45 0.65 -0.21 0.08 -1.32 0.00 0.00 175.29 174.95 2kb3 s VAL 12 N -0.85 2.01 -0.03 3.63 1.01 -1.26 -4.98 120.40 119.94 2kb3 s VAL 12 Ca 0.13 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2kb3 s VAL 12 Cb -0.11 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2kb3 s VAL 12 CO 0.03 0.54 0.26 -0.70 0.00 0.00 0.00 175.10 175.23 2kb3 s GLU 13 N 0.97 0.57 0.42 2.72 2.56 -1.26 -5.11 118.70 119.56 2kb3 s GLU 13 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.97 54.77 2kb3 s GLU 13 Cb -0.15 0.25 0.09 0.00 2.00 0.00 0.00 34.13 36.32 2kb3 s GLU 13 CO -0.05 -0.14 0.57 2.41 -0.56 0.00 0.00 175.26 177.49 2kb3 n THR 14 N 1.60 0.00 -4.04 -1.70 -1.04 -1.26 -4.77 114.28 103.07 2kb3 n THR 14 Ca -0.20 -0.77 -0.15 0.00 -2.04 0.00 0.00 64.05 60.89 2kb3 n THR 14 Cb 0.56 -1.26 -0.14 0.00 -1.82 0.00 0.00 70.33 67.67 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb3 s SER 16 N -3.26 0.40 -0.30 8.00 0.15 -1.26 -4.64 113.70 112.78 2kb3 s SER 16 Ca 0.36 -0.06 -0.26 0.00 0.70 0.00 0.00 55.95 56.70 2kb3 s SER 16 Cb -0.02 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2kb3 s SER 16 CO 0.24 0.03 0.91 -0.69 1.20 0.00 0.00 173.24 174.93 2kb3 s VAL 17 N 0.04 4.69 0.10 4.45 1.01 -1.26 -4.44 120.40 124.99 2kb3 s VAL 17 Ca -0.00 1.45 -0.21 0.00 0.00 0.00 0.00 61.98 63.22 2kb3 s VAL 17 Cb -0.03 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 2kb3 s VAL 17 CO -0.00 -0.32 0.63 -0.36 0.00 0.00 0.00 175.10 175.05 2kb3 s PHE 18 N 3.21 3.83 -0.23 5.22 0.08 -0.81 -5.03 117.98 124.25 2kb3 s PHE 18 Ca 0.38 1.38 -0.25 0.00 0.12 0.00 0.00 56.93 58.56 2kb3 s PHE 18 Cb -0.14 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.73 2kb3 s PHE 18 CO 0.13 0.56 0.84 0.50 -0.10 0.00 0.00 175.22 177.15 2kb3 s ARG 19 N -1.15 4.21 -1.22 0.44 3.00 -1.26 -4.96 118.95 118.01 2kb3 s ARG 19 Ca 0.31 0.98 -0.21 0.00 -1.00 0.00 0.00 55.73 55.82 2kb3 s ARG 19 Cb -0.20 -3.63 -0.01 0.00 0.00 0.00 0.00 34.95 31.10 2kb3 s ARG 19 CO 0.21 -0.49 1.83 0.00 0.00 0.00 0.00 175.30 176.85 2kb3 s ALA 20 N 2.74 2.51 -0.23 6.12 0.00 -1.26 -4.58 121.76 127.06 2kb3 s ALA 20 Ca 0.36 -2.48 0.18 0.00 0.00 0.00 0.00 51.96 50.02 2kb3 s ALA 20 Cb -0.15 -4.65 0.09 0.00 0.00 0.00 0.00 23.12 18.40 2kb3 s ALA 20 CO 0.08 -4.29 1.32 0.38 0.00 0.00 0.00 175.76 173.26 2kb3 h ASP 21 N 8.82 0.00 0.10 0.00 2.03 -2.03 -3.31 116.42 122.03 2kb3 h ASP 21 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 2kb3 h ASP 21 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 2kb3 h ASP 21 CO 1.34 0.32 0.00 0.00 -1.03 0.00 0.00 179.24 179.87 2kb3 n LEU 22 N -3.06 0.00 0.24 0.15 -0.00 -1.26 -2.37 117.00 110.70 2kb3 n LEU 22 Ca 0.00 0.30 0.07 0.00 -0.00 0.00 0.00 56.01 56.38 2kb3 n LEU 22 Cb 0.68 -0.30 0.57 0.00 -0.00 0.00 0.00 43.42 44.37 2kb3 n LEU 22 CO 0.39 -0.25 0.93 0.25 -0.00 0.00 0.00 177.39 178.71 2kb3 h LEU 23 N 0.00 0.00 0.00 1.47 5.85 -1.96 -0.23 115.31 120.43 2kb3 h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kb3 h LEU 23 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2kb3 h LEU 23 CO 0.00 0.16 -0.15 0.29 -0.34 0.00 0.00 178.44 178.39 2kb3 n LYS 24 N -4.17 0.02 -0.13 1.25 5.02 -1.00 -2.68 118.16 116.47 2kb3 n LYS 24 Ca -0.02 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 2kb3 n LYS 24 Cb 0.23 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 2kb3 n LYS 24 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kb3 n GLU 25 N -1.55 0.64 0.00 1.97 4.71 -0.42 -4.43 120.64 121.56 2kb3 n GLU 25 Ca 0.06 0.17 0.14 0.00 -0.01 0.00 0.00 57.16 57.53 2kb3 n GLU 25 Cb 0.34 -1.52 0.66 0.00 -1.01 0.00 0.00 31.44 29.91 2kb3 n GLU 25 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kb3 n MET 26 N -3.44 0.85 -0.26 3.49 0.00 -0.23 -3.87 117.12 113.66 2kb3 n MET 26 Ca -0.47 -0.28 -0.06 0.00 0.00 0.00 0.00 57.70 56.89 2kb3 n MET 26 Cb 0.97 -1.49 0.05 0.00 0.00 0.00 0.00 33.22 32.75 2kb3 n MET 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2kb3 h GLU 27 N 0.69 1.02 0.00 3.17 4.81 -1.72 -0.09 114.58 122.46 2kb3 h GLU 27 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2kb3 h GLU 27 Cb 0.32 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2kb3 h GLU 27 CO 0.00 0.77 0.00 0.43 -0.73 0.00 0.00 179.01 179.48 2kb3 n SER 28 N -4.46 0.53 0.08 1.04 7.64 -1.25 -1.88 113.62 115.32 2kb3 n SER 28 Ca 0.06 0.56 0.02 0.00 1.01 0.00 0.00 58.87 60.52 2kb3 n SER 28 Cb 0.11 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 2kb3 n SER 28 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2kb3 h SER 29 N 0.00 0.00 -2.40 6.43 0.87 -1.53 -3.44 113.55 113.48 2kb3 h SER 29 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2kb3 h SER 29 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2kb3 h SER 29 CO 0.00 0.48 1.34 -0.89 -0.53 0.00 0.00 176.83 177.23 2kb3 s THR 30 N -2.99 3.37 0.26 2.23 2.01 -0.13 -4.85 115.64 115.55 2kb3 s THR 30 Ca -0.00 0.35 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 2kb3 s THR 30 Cb 0.08 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 69.07 2kb3 s THR 30 CO 0.78 -0.43 0.93 -0.83 -0.69 0.00 0.00 174.62 174.39 2kb3 s GLY 31 N 7.13 0.17 -0.15 4.40 0.00 -1.26 -4.99 107.32 112.61 2kb3 s GLY 31 Ca 0.81 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.79 2kb3 s GLY 31 CO 0.31 1.17 1.26 -1.59 0.00 0.00 0.00 173.10 174.25 2kb3 s THR 32 N -2.37 4.27 -0.43 0.90 2.01 -1.26 -4.95 115.64 113.81 2kb3 s THR 32 Ca 0.18 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.75 2kb3 s THR 32 Cb -0.04 -4.00 0.13 0.00 0.01 0.00 0.00 72.50 68.61 2kb3 s THR 32 CO 0.07 -0.12 0.21 0.00 -0.69 0.00 0.00 174.62 174.09 2kb3 s ALA 33 N 3.35 2.37 0.40 7.40 0.00 -1.26 -5.11 121.76 128.92 2kb3 s ALA 33 Ca 0.55 -2.61 -0.26 0.00 0.00 0.00 0.00 51.96 49.63 2kb3 s ALA 33 Cb -0.22 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.89 2kb3 s ALA 33 CO 0.16 -1.98 1.30 -2.14 0.00 0.00 0.00 175.76 173.10 2kb3 s PRO 34 N 0.43 3.99 0.57 0.00 0.02 -1.26 -4.96 135.00 133.79 2kb3 s PRO 34 Ca 0.16 2.15 -0.07 0.00 0.02 0.00 0.00 61.00 63.27 2kb3 s PRO 34 Cb -0.24 -2.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.50 2kb3 s PRO 34 CO -0.03 -0.47 0.89 0.00 -0.33 0.00 0.00 177.00 177.05 2kb3 s ALA 35 N -1.26 3.28 -0.05 -1.55 0.00 -1.26 -4.91 121.76 116.01 2kb3 s ALA 35 Ca 0.56 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2kb3 s ALA 35 Cb -0.38 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 2kb3 s ALA 35 CO 0.49 -0.67 1.08 -1.12 0.00 0.00 0.00 175.76 175.54 2kb3 s SER 36 N -4.23 7.19 0.49 0.00 0.01 0.36 -4.99 113.70 112.53 2kb3 s SER 36 Ca 0.52 1.70 -0.22 0.00 1.31 0.00 0.00 55.95 59.26 2kb3 s SER 36 Cb -0.11 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 2kb3 s SER 36 CO 0.46 -0.46 1.22 0.42 0.41 0.00 0.00 173.24 175.30 2kb3 s THR 37 N 1.77 2.81 0.00 1.44 -4.23 -1.26 -3.45 115.64 112.72 2kb3 s THR 37 Ca 0.53 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2kb3 s THR 37 Cb -0.22 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.32 2kb3 s THR 37 CO 0.22 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2kb3 n GLY 38 N 0.52 1.20 0.22 3.99 0.00 -1.26 -4.94 105.19 104.91 2kb3 n GLY 38 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 1.27 -0.15 4.61 0.00 -1.92 -1.43 119.26 121.64 2kb3 h ALA 39 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kb3 h ALA 39 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kb3 h ALA 39 CO 0.00 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 178.73 2kb3 n GLU 40 N -3.80 2.28 -0.09 0.00 0.00 -1.26 -4.08 120.64 113.68 2kb3 n GLU 40 Ca -0.01 -1.89 0.04 0.00 0.00 0.00 0.00 57.16 55.29 2kb3 n GLU 40 Cb 0.36 -1.48 0.09 0.00 0.00 0.00 0.00 31.44 30.41 2kb3 n GLU 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kb3 n ASN 41 N 1.22 2.42 -2.13 -1.84 4.13 -0.59 -5.01 115.26 113.46 2kb3 n ASN 41 Ca 0.16 -1.84 -0.00 0.00 1.68 0.00 0.00 54.58 54.58 2kb3 n ASN 41 Cb 0.56 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kb3 n LEU 42 N 0.26 -5.11 0.21 3.41 7.99 -1.07 -4.94 117.00 117.75 2kb3 n LEU 42 Ca 0.07 0.74 0.07 0.00 -0.01 0.00 0.00 56.01 56.88 2kb3 n LEU 42 Cb 0.33 -2.22 0.44 0.00 -0.11 0.00 0.00 43.42 41.86 2kb3 n LEU 42 CO 0.05 -1.66 0.76 1.55 -1.51 0.00 0.00 177.39 176.58 2kb3 h PRO 43 N 1.57 0.00 0.00 3.23 0.13 -1.66 -3.42 132.00 131.85 2kb3 h PRO 43 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kb3 h PRO 43 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kb3 h PRO 43 CO 0.05 0.31 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 2kb3 n ALA 44 N -2.32 0.00 0.00 -0.56 0.00 -1.26 -4.98 120.51 111.39 2kb3 n ALA 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kb3 n ALA 44 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2kb3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 45 N -0.19 1.69 3.24 0.00 0.00 -1.26 -4.95 105.19 103.72 2kb3 n GLY 45 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb3 s SER 46 N -2.35 1.83 0.07 1.61 0.15 -1.26 -4.99 113.70 108.76 2kb3 s SER 46 Ca 0.00 -0.94 -0.16 0.00 0.70 0.00 0.00 55.95 55.56 2kb3 s SER 46 Cb 0.00 -0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2kb3 s SER 46 CO 0.00 -0.27 0.37 0.00 1.20 0.00 0.00 173.24 174.53 2kb3 s ALA 47 N -2.91 -0.84 0.07 5.45 0.00 -1.25 -3.35 121.76 118.92 2kb3 s ALA 47 Ca 0.14 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.18 2kb3 s ALA 47 Cb -0.00 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2kb3 s ALA 47 CO 0.01 -0.51 -0.11 -0.48 0.00 0.00 0.00 175.76 174.67 2kb3 s LEU 48 N -2.36 2.31 -0.11 0.00 0.05 0.11 -0.00 118.68 118.67 2kb3 s LEU 48 Ca -0.02 -0.65 0.00 0.00 0.05 0.00 0.00 54.13 53.51 2kb3 s LEU 48 Cb 0.01 -0.34 -0.02 0.00 -2.05 0.00 0.00 46.19 43.79 2kb3 s LEU 48 CO -0.07 -0.17 -0.12 -1.48 -0.55 0.00 0.00 176.35 173.96 2kb3 s LEU 49 N -1.89 2.78 -0.09 1.48 0.05 0.45 -0.67 118.68 120.79 2kb3 s LEU 49 Ca -0.02 -0.27 0.03 0.00 0.05 0.00 0.00 54.13 53.91 2kb3 s LEU 49 Cb -0.08 -1.62 -0.01 0.00 -2.05 0.00 0.00 46.19 42.43 2kb3 s LEU 49 CO 0.01 0.21 -0.20 0.54 -0.55 0.00 0.00 176.35 176.35 2kb3 s VAL 50 N 0.11 2.43 -0.29 1.48 0.11 0.08 -1.01 120.40 123.31 2kb3 s VAL 50 Ca -0.05 -0.90 -0.23 0.00 -2.93 0.00 0.00 61.98 57.86 2kb3 s VAL 50 Cb -0.15 -1.95 -0.00 0.00 -1.53 0.00 0.00 36.38 32.75 2kb3 s VAL 50 CO 0.04 0.55 0.78 -0.69 -3.33 0.00 0.00 175.10 172.46 2kb3 s VAL 51 N 0.14 4.82 -0.15 2.04 1.01 -0.05 -0.89 120.40 127.32 2kb3 s VAL 51 Ca -0.11 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.21 2kb3 s VAL 51 Cb -0.16 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 2kb3 s VAL 51 CO 0.06 -0.20 0.26 0.29 0.00 0.00 0.00 175.10 175.51 2kb3 n LYS 52 N 6.13 0.67 -4.02 2.72 4.76 0.04 -0.39 118.16 128.07 2kb3 n LYS 52 Ca 0.04 0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.49 2kb3 n LYS 52 Cb 0.48 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.89 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kb3 s ARG 53 N -2.54 0.23 0.00 1.97 6.06 -1.03 -4.70 118.95 118.94 2kb3 s ARG 53 Ca -0.14 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.00 2kb3 s ARG 53 Cb 0.07 -0.23 0.00 0.00 0.06 0.00 0.00 34.95 34.85 2kb3 s ARG 53 CO 0.78 0.05 0.00 0.41 -2.50 0.00 0.00 175.30 174.05 2kb3 n GLY 54 N 3.05 1.77 0.26 8.12 0.00 -1.26 -2.21 105.19 114.93 2kb3 n GLY 54 Ca -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.58 -0.72 1.61 0.11 -1.99 -2.63 132.00 128.96 2kb3 h PRO 55 Ca 0.00 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 65.84 2kb3 h PRO 55 Cb 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 30.98 2kb3 h PRO 55 CO 0.00 0.67 0.13 0.27 -0.21 0.00 0.00 178.00 178.87 2kb3 n ASN 56 N -4.21 4.83 -4.77 -2.05 6.94 -1.26 -4.98 115.26 109.76 2kb3 n ASN 56 Ca 0.01 -2.96 -0.40 0.00 -0.02 0.00 0.00 54.58 51.21 2kb3 n ASN 56 Cb 0.32 -0.70 -0.00 0.00 -2.36 0.00 0.00 39.78 37.04 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.63 3.40 0.00 -2.53 0.00 -0.99 -2.56 121.76 116.45 2kb3 s ALA 57 Ca 0.49 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.86 2kb3 s ALA 57 Cb 0.38 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2kb3 s ALA 57 CO 0.13 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2kb3 n GLY 58 N 0.60 1.40 3.82 0.00 0.00 0.48 -4.99 105.19 106.49 2kb3 n GLY 58 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.35 3.51 -0.03 4.61 0.00 -1.06 -4.88 121.76 121.56 2kb3 s ALA 59 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.06 2kb3 s ALA 59 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2kb3 s ALA 59 CO 0.00 0.38 -0.11 -0.98 0.00 0.00 0.00 175.76 175.05 2kb3 s ARG 60 N -1.66 1.07 -0.01 0.00 1.70 -1.26 -0.87 118.95 117.92 2kb3 s ARG 60 Ca 0.37 -0.37 0.04 0.00 -0.47 0.00 0.00 55.73 55.30 2kb3 s ARG 60 Cb -0.18 -0.99 -0.01 0.00 -0.57 0.00 0.00 34.95 33.20 2kb3 s ARG 60 CO 0.21 0.15 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.40 2kb3 s PHE 61 N 0.10 1.11 -0.04 5.89 0.08 -0.18 -4.96 117.98 119.99 2kb3 s PHE 61 Ca -0.02 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.79 2kb3 s PHE 61 Cb -0.08 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 2kb3 s PHE 61 CO 0.01 -0.04 0.08 -0.48 -0.10 0.00 0.00 175.22 174.69 2kb3 s LEU 62 N -0.21 3.93 -0.54 -0.37 0.05 -1.26 -0.41 118.68 119.86 2kb3 s LEU 62 Ca 0.03 0.20 -0.19 0.00 0.05 0.00 0.00 54.13 54.22 2kb3 s LEU 62 Cb -0.06 -2.17 0.07 0.00 -2.05 0.00 0.00 46.19 41.99 2kb3 s LEU 62 CO -0.00 0.31 0.67 -0.76 -0.55 0.00 0.00 176.35 176.02 2kb3 s LEU 63 N -1.48 5.08 0.00 1.48 1.02 0.99 -4.70 118.68 121.07 2kb3 s LEU 63 Ca 0.20 -1.09 0.00 0.00 0.02 0.00 0.00 54.13 53.26 2kb3 s LEU 63 Cb -0.12 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.69 2kb3 s LEU 63 CO 0.10 -1.00 0.60 -0.67 0.02 0.00 0.00 176.35 175.41 2kb3 n ASP 64 N 6.31 0.63 -4.62 2.29 2.03 -1.26 -3.95 116.55 117.99 2kb3 n ASP 64 Ca -0.07 -1.29 -0.25 0.00 0.52 0.00 0.00 54.79 53.69 2kb3 n ASP 64 Cb 0.44 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.29 2.22 0.45 -0.67 -2.07 -1.26 -5.03 119.66 113.01 2kb3 s GLN 65 Ca 0.00 -1.31 0.11 0.00 -1.82 0.00 0.00 55.36 52.34 2kb3 s GLN 65 Cb 0.00 -2.19 1.03 0.00 -1.09 0.00 0.00 33.01 30.75 2kb3 s GLN 65 CO 0.00 0.41 2.10 -1.35 -1.32 0.00 0.00 175.29 175.12 2kb3 h PRO 66 N 2.42 0.32 -2.46 9.60 0.11 -1.93 -3.41 132.00 136.65 2kb3 h PRO 66 Ca -0.46 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2kb3 h PRO 66 Cb 1.22 -0.07 -0.25 0.00 0.11 0.00 0.00 31.00 32.01 2kb3 h PRO 66 CO 0.58 0.21 -0.21 0.99 -0.21 0.00 0.00 178.00 179.36 2kb3 s THR 67 N -5.32 -0.04 -0.34 -1.15 2.01 -1.26 -0.52 115.64 109.01 2kb3 s THR 67 Ca -0.07 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2kb3 s THR 67 Cb 0.17 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2kb3 s THR 67 CO 0.71 0.03 0.20 -0.89 -0.69 0.00 0.00 174.62 173.97 2kb3 s THR 68 N 1.51 4.76 -0.07 -0.82 2.01 0.84 -4.93 115.64 118.93 2kb3 s THR 68 Ca -0.09 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 2kb3 s THR 68 Cb -0.08 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2kb3 s THR 68 CO -0.15 -0.07 0.48 -0.89 -0.69 0.00 0.00 174.62 173.30 2kb3 s THR 69 N 1.62 5.11 -0.07 -0.82 2.01 -1.26 -0.13 115.64 122.09 2kb3 s THR 69 Ca 0.04 0.97 0.05 0.00 0.31 0.00 0.00 61.69 63.06 2kb3 s THR 69 Cb -0.18 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 2kb3 s THR 69 CO 0.07 0.40 -0.23 0.00 -0.69 0.00 0.00 174.62 174.17 2kb3 s ALA 70 N 0.12 2.26 0.00 7.40 0.00 0.18 -0.87 121.76 130.85 2kb3 s ALA 70 Ca 0.26 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2kb3 s ALA 70 Cb -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2kb3 s ALA 70 CO 0.12 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2kb3 n GLY 71 N 3.05 -0.54 3.44 0.00 0.00 -1.23 -0.88 105.19 109.04 2kb3 n GLY 71 Ca -0.18 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2kb3 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb3 s ARG 72 N -0.45 1.58 0.00 1.61 1.81 -0.15 -3.47 118.95 119.89 2kb3 s ARG 72 Ca 0.00 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 52.67 2kb3 s ARG 72 Cb 0.00 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 2kb3 s ARG 72 CO 0.00 0.45 0.00 0.72 -0.68 0.00 0.00 175.30 175.79 2kb3 n HIS 73 N 0.67 0.00 0.30 -0.53 8.25 -1.26 -4.25 115.22 118.39 2kb3 n HIS 73 Ca -0.16 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.47 2kb3 n HIS 73 Cb 0.54 -0.36 0.90 0.00 1.12 0.00 0.00 29.99 32.19 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kb3 h PRO 74 N 0.00 0.00 0.00 -0.41 0.11 -1.98 0.09 132.00 129.81 2kb3 h PRO 74 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2kb3 h PRO 74 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2kb3 h PRO 74 CO 0.00 0.00 -0.20 1.05 -0.21 0.00 0.00 178.00 178.64 2kb3 h GLU 75 N 0.00 0.00 -6.12 1.05 9.09 -1.99 -3.39 114.58 113.21 2kb3 h GLU 75 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 2kb3 h GLU 75 Cb 0.34 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.38 2kb3 h GLU 75 CO 0.00 0.20 0.84 -1.12 0.05 0.00 0.00 179.01 178.98 2kb3 s SER 76 N -6.14 7.03 0.12 3.06 0.01 0.02 -4.84 113.70 112.94 2kb3 s SER 76 Ca 0.01 1.47 -0.20 0.00 1.31 0.00 0.00 55.95 58.54 2kb3 s SER 76 Cb 0.09 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 2kb3 s SER 76 CO 0.63 -0.72 1.74 -0.78 0.41 0.00 0.00 173.24 174.52 2kb3 h ASP 77 N 7.80 0.02 -3.50 2.44 1.82 -1.22 -3.39 116.42 120.40 2kb3 h ASP 77 Ca -0.22 0.02 -0.64 0.00 -0.39 0.00 0.00 57.03 55.80 2kb3 h ASP 77 Cb 1.08 0.02 -0.22 0.00 0.68 0.00 0.00 39.33 40.89 2kb3 h ASP 77 CO 0.98 0.04 -0.64 0.27 -1.61 0.00 0.00 179.24 178.28 2kb3 s ILE 78 N -6.19 4.15 -0.18 2.25 -4.36 -0.62 -4.98 121.20 111.27 2kb3 s ILE 78 Ca -0.13 -0.24 -0.22 0.00 -0.26 0.00 0.00 60.65 59.80 2kb3 s ILE 78 Cb 0.09 -2.90 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 2kb3 s ILE 78 CO 0.68 0.40 0.68 0.12 0.24 0.00 0.00 174.94 177.06 2kb3 s PHE 79 N 1.19 3.40 -0.01 1.37 5.36 -1.26 -3.48 117.98 124.54 2kb3 s PHE 79 Ca 0.04 1.03 0.08 0.00 -0.96 0.00 0.00 56.93 57.11 2kb3 s PHE 79 Cb -0.14 -2.85 -0.02 0.00 -0.34 0.00 0.00 43.02 39.67 2kb3 s PHE 79 CO 0.02 -0.17 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.86 2kb3 s LEU 80 N 1.88 2.06 -0.31 6.12 1.43 -1.23 -4.95 118.68 123.68 2kb3 s LEU 80 Ca 0.32 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 2kb3 s LEU 80 Cb -0.16 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2kb3 s LEU 80 CO 0.11 0.29 0.19 -0.62 0.23 0.00 0.00 176.35 176.55 2kb3 s ASP 81 N -0.64 5.78 0.77 2.29 2.15 -1.26 -4.75 116.67 121.02 2kb3 s ASP 81 Ca 0.10 -0.40 -0.05 0.00 0.43 0.00 0.00 52.55 52.62 2kb3 s ASP 81 Cb -0.09 -2.07 0.13 0.00 -0.30 0.00 0.00 42.92 40.59 2kb3 s ASP 81 CO -0.01 -0.18 1.06 1.51 -0.17 0.00 0.00 175.17 177.38 2kb3 s ASP 82 N 1.67 4.14 0.10 -0.34 1.47 -1.26 -4.69 116.67 117.76 2kb3 s ASP 82 Ca 0.06 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.67 2kb3 s ASP 82 Cb -0.17 -0.22 -0.24 0.00 -0.34 0.00 0.00 42.92 41.95 2kb3 s ASP 82 CO 0.08 -2.02 1.21 0.58 0.68 0.00 0.00 175.17 175.71 2kb3 h VAL 83 N -0.77 1.59 -3.21 2.11 2.07 -1.92 -3.45 116.25 112.66 2kb3 h VAL 83 Ca -0.39 -3.18 -0.10 0.00 0.82 0.00 0.00 66.70 63.85 2kb3 h VAL 83 Cb 1.26 2.88 -0.18 0.00 -1.52 0.00 0.00 31.29 33.74 2kb3 h VAL 83 CO 0.42 0.92 -0.24 -0.89 0.02 0.00 0.00 177.57 177.80 2kb3 s THR 84 N -2.71 0.07 -0.30 2.57 2.01 -1.26 -5.10 115.64 110.92 2kb3 s THR 84 Ca -0.02 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2kb3 s THR 84 Cb 0.08 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 2kb3 s THR 84 CO 0.86 -0.34 1.61 -0.69 -0.69 0.00 0.00 174.62 175.37 2kb3 s VAL 85 N -2.25 3.70 -0.35 3.82 1.01 -1.26 -4.86 120.40 120.22 2kb3 s VAL 85 Ca -0.07 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 2kb3 s VAL 85 Cb -0.02 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.60 2kb3 s VAL 85 CO -0.01 -0.43 0.12 -0.44 0.00 0.00 0.00 175.10 174.33 2kb3 s SER 86 N 4.61 5.24 0.19 3.32 0.01 -1.26 -4.64 113.70 121.17 2kb3 s SER 86 Ca 0.71 -1.41 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 2kb3 s SER 86 Cb -0.21 -1.84 0.20 0.00 0.21 0.00 0.00 66.02 64.38 2kb3 s SER 86 CO 0.31 -0.38 1.77 0.08 0.41 0.00 0.00 173.24 175.42 2kb3 h ARG 87 N 8.15 0.45 -3.54 12.44 0.11 -1.92 -3.22 114.38 126.85 2kb3 h ARG 87 Ca -0.20 -0.03 -0.41 0.00 0.10 0.00 0.00 59.98 59.44 2kb3 h ARG 87 Cb 1.07 -0.10 -0.38 0.00 1.11 0.00 0.00 29.97 31.66 2kb3 h ARG 87 CO 0.63 0.30 -0.76 0.50 0.10 0.00 0.00 179.97 180.74 2kb3 s ARG 88 N -6.11 0.34 -0.19 0.08 3.52 -1.26 -0.97 118.95 114.35 2kb3 s ARG 88 Ca -0.13 0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 55.50 2kb3 s ARG 88 Cb 0.15 -0.80 -0.14 0.00 -1.56 0.00 0.00 34.95 32.59 2kb3 s ARG 88 CO 0.74 -0.32 0.11 1.25 -0.81 0.00 0.00 175.30 176.27 2kb3 h HIS 89 N 8.37 0.00 -3.02 5.12 -0.00 -1.17 -3.37 115.15 121.08 2kb3 h HIS 89 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.19 2kb3 h HIS 89 Cb 1.12 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.42 2kb3 h HIS 89 CO 0.48 1.06 0.20 0.00 -0.00 0.00 0.00 177.93 179.66 2kb3 s ALA 90 N -2.47 -1.52 0.04 5.26 0.00 -1.07 -0.79 121.76 121.20 2kb3 s ALA 90 Ca -0.25 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.13 2kb3 s ALA 90 Cb 0.05 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 2kb3 s ALA 90 CO 0.48 -0.80 -0.13 -1.83 0.00 0.00 0.00 175.76 173.48 2kb3 s GLU 91 N -3.77 0.88 -0.34 0.00 -1.05 0.03 -0.64 118.70 113.81 2kb3 s GLU 91 Ca 0.02 -0.74 -0.10 0.00 -0.15 0.00 0.00 54.97 54.00 2kb3 s GLU 91 Cb -0.01 -0.87 0.01 0.00 -0.44 0.00 0.00 34.13 32.81 2kb3 s GLU 91 CO -0.11 0.21 0.17 -0.06 0.95 0.00 0.00 175.26 176.43 2kb3 s PHE 92 N -0.87 3.21 -0.24 4.83 0.40 0.81 -0.42 117.98 125.70 2kb3 s PHE 92 Ca 0.01 -0.75 -0.07 0.00 -0.60 0.00 0.00 56.93 55.52 2kb3 s PHE 92 Cb -0.08 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 2kb3 s PHE 92 CO 0.01 -0.54 0.06 1.03 0.70 0.00 0.00 175.22 176.48 2kb3 s ARG 93 N 1.58 3.64 -0.36 0.44 0.52 0.11 -0.11 118.95 124.78 2kb3 s ARG 93 Ca 0.03 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 2kb3 s ARG 93 Cb -0.18 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.03 2kb3 s ARG 93 CO 0.06 -0.16 0.19 0.42 0.02 0.00 0.00 175.30 175.84 2kb3 s ILE 94 N 1.51 4.58 -0.02 1.52 1.09 0.32 -1.29 121.20 128.91 2kb3 s ILE 94 Ca 0.06 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2kb3 s ILE 94 Cb -0.15 -3.50 0.03 0.00 -1.06 0.00 0.00 42.46 37.78 2kb3 s ILE 94 CO 0.03 -0.16 0.02 0.54 -0.10 0.00 0.00 174.94 175.27 2kb3 s ASN 95 N 1.57 0.16 -1.46 3.58 2.20 -0.04 -4.64 114.94 116.32 2kb3 s ASN 95 Ca 0.03 0.02 -0.08 0.00 -0.94 0.00 0.00 52.86 51.89 2kb3 s ASN 95 Cb -0.19 -0.11 0.04 0.00 -2.00 0.00 0.00 41.25 39.00 2kb3 s ASN 95 CO 0.07 -0.11 0.71 1.21 -2.94 0.00 0.00 177.10 176.03 2kb3 n GLU 96 N 4.11 -4.99 -0.97 3.55 2.13 -1.26 -0.37 120.64 122.85 2kb3 n GLU 96 Ca -0.27 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2kb3 n GLU 96 Cb 0.51 -5.58 0.00 0.00 0.27 0.00 0.00 31.44 26.64 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kb3 n GLY 97 N -1.52 0.89 3.75 8.31 0.00 -1.26 -5.00 105.19 110.35 2kb3 n GLY 97 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.08 3.82 -0.30 1.61 0.41 0.51 -5.06 118.70 119.61 2kb3 s GLU 98 Ca 0.00 -0.24 -0.09 0.00 -0.41 0.00 0.00 54.97 54.23 2kb3 s GLU 98 Cb 0.00 -3.25 -0.01 0.00 -1.78 0.00 0.00 34.13 29.09 2kb3 s GLU 98 CO 0.00 0.47 0.14 -0.06 -0.49 0.00 0.00 175.26 175.31 2kb3 s PHE 99 N -0.15 3.17 -0.04 1.61 0.40 -1.26 -0.86 117.98 120.84 2kb3 s PHE 99 Ca 0.09 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 2kb3 s PHE 99 Cb -0.12 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.09 2kb3 s PHE 99 CO 0.01 -0.45 -0.14 -1.83 0.70 0.00 0.00 175.22 173.51 2kb3 s GLU 100 N 1.60 1.54 -0.23 0.44 -1.05 -0.41 -1.48 118.70 119.10 2kb3 s GLU 100 Ca 0.05 -0.48 -0.09 0.00 -0.15 0.00 0.00 54.97 54.30 2kb3 s GLU 100 Cb -0.17 -1.34 -0.04 0.00 -0.44 0.00 0.00 34.13 32.14 2kb3 s GLU 100 CO 0.06 0.16 0.12 0.08 0.95 0.00 0.00 175.26 176.62 2kb3 s VAL 101 N 0.22 4.94 -0.19 1.83 1.01 0.96 0.10 120.40 129.27 2kb3 s VAL 101 Ca -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2kb3 s VAL 101 Cb -0.12 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2kb3 s VAL 101 CO 0.02 0.36 -0.09 0.68 0.00 0.00 0.00 175.10 176.07 2kb3 s VAL 102 N 1.15 3.11 -0.11 2.92 -7.23 0.44 -0.51 120.40 120.18 2kb3 s VAL 102 Ca 0.06 -0.60 -0.06 0.00 -1.81 0.00 0.00 61.98 59.57 2kb3 s VAL 102 Cb -0.14 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2kb3 s VAL 102 CO 0.04 0.47 0.13 -0.62 -0.31 0.00 0.00 175.10 174.82 2kb3 s ASP 103 N 1.10 6.31 0.00 4.85 2.15 0.10 -0.79 116.67 130.40 2kb3 s ASP 103 Ca 0.01 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.42 2kb3 s ASP 103 Cb -0.15 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2kb3 s ASP 103 CO -0.02 0.39 0.35 1.33 -0.17 0.00 0.00 175.17 177.05 2kb3 n VAL 104 N 1.89 0.09 -1.88 1.11 0.24 -0.24 -4.82 118.33 114.72 2kb3 n VAL 104 Ca -0.19 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.34 61.53 2kb3 n VAL 104 Cb 0.55 1.34 0.03 0.00 -1.47 0.00 0.00 33.84 34.29 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 -0.05 6.29 0.32 7.63 0.00 0.02 -4.73 105.19 114.68 2kb3 n GLY 105 Ca 0.00 -2.59 0.17 0.00 0.00 0.00 0.00 46.02 43.60 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 2.15 0.00 0.32 1.61 0.02 -1.89 -1.14 113.55 114.62 2kb3 h SER 106 Ca 0.42 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.31 2kb3 h SER 106 Cb 1.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2kb3 h SER 106 CO 0.94 0.00 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.26 2kb3 h LEU 107 N 0.00 0.00 0.00 5.07 -0.00 -1.90 -1.64 115.31 116.84 2kb3 h LEU 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kb3 h LEU 107 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2kb3 h LEU 107 CO 0.00 0.30 -0.63 -1.13 -0.00 0.00 0.00 178.44 176.98 2kb3 h ASN 108 N 0.00 0.00 0.00 -0.43 -1.24 -1.42 -2.15 115.58 110.34 2kb3 h ASN 108 Ca -0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.93 2kb3 h ASN 108 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 2kb3 h ASN 108 CO 0.04 0.04 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 2kb3 n GLY 109 N 1.23 0.76 3.69 1.57 0.00 -0.62 -3.52 105.19 108.30 2kb3 n GLY 109 Ca 0.02 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.63 5.00 -0.01 2.61 2.01 -1.26 -0.11 115.64 123.25 2kb3 s THR 110 Ca 0.00 1.43 0.01 0.00 0.31 0.00 0.00 61.69 63.44 2kb3 s THR 110 Cb 0.00 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2kb3 s THR 110 CO 0.00 0.16 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.75 2kb3 s TYR 111 N 1.43 0.40 -0.16 4.92 2.02 -0.23 -3.26 117.35 122.47 2kb3 s TYR 111 Ca 0.35 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 2kb3 s TYR 111 Cb -0.17 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 2kb3 s TYR 111 CO 0.15 -0.05 -0.18 0.08 -1.57 0.00 0.00 175.55 173.97 2kb3 s VAL 112 N 0.28 1.88 -1.39 0.71 1.01 0.10 -0.05 120.40 122.95 2kb3 s VAL 112 Ca -0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 2kb3 s VAL 112 Cb -0.06 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2kb3 s VAL 112 CO -0.00 0.51 0.92 -3.20 0.00 0.00 0.00 175.10 173.32 2kb3 n ASN 113 N 4.55 -3.47 0.00 3.32 2.85 0.34 -1.33 115.26 121.52 2kb3 n ASN 113 Ca -0.20 -0.74 0.00 0.00 -0.11 0.00 0.00 54.58 53.54 2kb3 n ASN 113 Cb 0.50 -4.26 0.00 0.00 1.24 0.00 0.00 39.78 37.26 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb3 n ARG 114 N -4.53 -1.33 -5.26 1.20 3.00 -1.26 -4.85 116.66 103.62 2kb3 n ARG 114 Ca -0.12 0.33 -0.31 0.00 -0.01 0.00 0.00 57.85 57.74 2kb3 n ARG 114 Cb 0.60 -4.39 -0.16 0.00 0.00 0.00 0.00 32.46 28.51 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 -1.37 2.52 0.32 5.56 2.02 -0.44 -4.98 118.70 122.33 2kb3 s GLU 115 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 54.97 53.79 2kb3 s GLU 115 Cb 0.00 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 2kb3 s GLU 115 CO 0.00 0.39 1.52 -1.25 0.02 0.00 0.00 175.26 175.94 2kb3 s PRO 116 N -0.18 4.15 0.11 0.39 0.04 -1.26 0.03 135.00 138.27 2kb3 s PRO 116 Ca -0.03 2.52 0.03 0.00 0.04 0.00 0.00 61.00 63.56 2kb3 s PRO 116 Cb -0.14 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2kb3 s PRO 116 CO 0.03 -0.54 -0.08 1.03 0.04 0.00 0.00 177.00 177.49 2kb3 s ARG 117 N -1.15 0.89 0.00 4.56 1.81 -1.20 -4.84 118.95 119.02 2kb3 s ARG 117 Ca 0.58 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 2kb3 s ARG 117 Cb -0.46 -0.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.69 2kb3 s ARG 117 CO 0.53 0.02 0.00 0.09 -0.68 0.00 0.00 175.30 175.26 2kb3 n ASN 118 N -0.01 3.71 -3.80 0.23 5.03 -1.26 -4.84 115.26 114.32 2kb3 n ASN 118 Ca -0.12 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.20 2kb3 n ASN 118 Cb 0.60 0.22 -0.13 0.00 -1.02 0.00 0.00 39.78 39.45 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb3 s ALA 119 N -1.82 -0.31 -0.13 5.41 0.00 -1.26 0.02 121.76 123.68 2kb3 s ALA 119 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 2kb3 s ALA 119 Cb 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.89 2kb3 s ALA 119 CO 0.00 -0.09 0.28 -1.14 0.00 0.00 0.00 175.76 174.81 2kb3 s GLN 120 N 0.43 0.19 -0.37 0.00 2.00 0.33 -4.97 119.66 117.27 2kb3 s GLN 120 Ca -0.03 0.75 -0.22 0.00 -2.00 0.00 0.00 55.36 53.85 2kb3 s GLN 120 Cb -0.04 -0.01 0.01 0.00 0.80 0.00 0.00 33.01 33.77 2kb3 s GLN 120 CO -0.02 -0.25 0.74 0.08 -0.50 0.00 0.00 175.29 175.33 2kb3 s VAL 121 N 2.19 4.78 0.13 1.34 1.01 -1.26 -0.02 120.40 128.57 2kb3 s VAL 121 Ca -0.01 0.75 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 2kb3 s VAL 121 Cb -0.12 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 2kb3 s VAL 121 CO -0.09 -0.42 0.44 -0.04 0.00 0.00 0.00 175.10 174.99 2kb3 s MET 122 N 2.99 3.76 0.14 2.72 1.00 -0.55 -5.00 119.30 124.36 2kb3 s MET 122 Ca 0.29 0.17 0.07 0.00 0.00 0.00 0.00 55.69 56.22 2kb3 s MET 122 Cb -0.14 -2.88 -0.04 0.00 0.00 0.00 0.00 34.83 31.77 2kb3 s MET 122 CO 0.17 0.48 -0.06 -0.65 0.00 0.00 0.00 175.02 174.96 2kb3 s GLN 123 N -2.27 2.25 0.21 2.03 -0.21 -1.26 -4.74 119.66 115.66 2kb3 s GLN 123 Ca 0.38 -1.07 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 2kb3 s GLN 123 Cb -0.13 -2.32 -0.10 0.00 1.00 0.00 0.00 33.01 31.46 2kb3 s GLN 123 CO 0.20 0.48 1.43 -0.08 -2.12 0.00 0.00 175.29 175.20 2kb3 s THR 124 N -1.46 2.85 0.00 -0.19 -1.32 -1.26 -2.57 115.64 111.68 2kb3 s THR 124 Ca 0.24 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 2kb3 s THR 124 Cb -0.10 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 2kb3 s THR 124 CO 0.16 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 2kb3 n GLY 125 N 2.63 0.41 3.88 6.08 0.00 0.14 -0.48 105.19 117.84 2kb3 n GLY 125 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2kb3 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb3 s ASP 126 N -2.74 6.54 0.05 1.61 -1.08 -1.06 -4.76 116.67 115.22 2kb3 s ASP 126 Ca 0.00 0.97 0.07 0.00 -0.52 0.00 0.00 52.55 53.07 2kb3 s ASP 126 Cb 0.00 -2.25 -0.03 0.00 -1.46 0.00 0.00 42.92 39.17 2kb3 s ASP 126 CO 0.00 -0.26 -0.16 -1.83 0.52 0.00 0.00 175.17 173.44 2kb3 s GLU 127 N -3.50 2.10 -0.08 4.34 -1.05 -1.26 -1.41 118.70 117.84 2kb3 s GLU 127 Ca 0.48 -0.97 0.05 0.00 -0.15 0.00 0.00 54.97 54.38 2kb3 s GLU 127 Cb -0.11 -2.23 -0.00 0.00 -0.44 0.00 0.00 34.13 31.35 2kb3 s GLU 127 CO 0.28 0.54 -0.24 0.42 0.95 0.00 0.00 175.26 177.21 2kb3 s ILE 128 N -0.97 2.03 -0.18 1.83 1.01 0.64 -0.51 121.20 125.05 2kb3 s ILE 128 Ca 0.16 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2kb3 s ILE 128 Cb -0.11 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2kb3 s ILE 128 CO 0.07 0.56 -0.14 -1.58 0.00 0.00 0.00 174.94 173.85 2kb3 s GLN 129 N 0.15 3.18 -0.39 2.79 0.74 0.93 -0.24 119.66 126.82 2kb3 s GLN 129 Ca -0.13 -0.74 -0.06 0.00 0.05 0.00 0.00 55.36 54.47 2kb3 s GLN 129 Cb -0.16 -2.72 0.08 0.00 1.10 0.00 0.00 33.01 31.31 2kb3 s GLN 129 CO 0.07 -0.12 0.19 0.42 -0.55 0.00 0.00 175.29 175.30 2kb3 s ILE 130 N 1.17 3.79 0.00 -2.34 1.01 -0.15 -1.07 121.20 123.60 2kb3 s ILE 130 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.15 2kb3 s ILE 130 Cb -0.14 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.99 2kb3 s ILE 130 CO -0.05 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.04 2kb3 n GLY 131 N 4.79 1.51 0.00 6.18 0.00 0.85 -1.41 105.19 117.12 2kb3 n GLY 131 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -3.16 1.61 2.85 -1.26 -4.94 118.16 113.26 2kb3 n LYS 132 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 2kb3 n LYS 132 Cb 0.00 -0.35 0.00 0.00 -0.65 0.00 0.00 35.03 34.03 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 0.00 3.23 -0.13 5.58 -0.71 -0.50 -4.99 117.98 120.46 2kb3 s PHE 133 Ca 0.00 0.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.05 2kb3 s PHE 133 Cb 0.00 -2.18 0.01 0.00 -1.21 0.00 0.00 43.02 39.63 2kb3 s PHE 133 CO 0.00 -0.22 -0.23 1.03 -1.34 0.00 0.00 175.22 174.47 2kb3 s ARG 134 N -4.43 3.03 -0.02 1.99 1.81 -0.94 -0.98 118.95 119.41 2kb3 s ARG 134 Ca 0.46 -0.86 0.07 0.00 -1.72 0.00 0.00 55.73 53.68 2kb3 s ARG 134 Cb -0.10 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.99 2kb3 s ARG 134 CO 0.36 0.05 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.28 2kb3 s LEU 135 N 0.66 2.05 -0.04 2.53 1.43 0.66 -0.78 118.68 125.19 2kb3 s LEU 135 Ca -0.11 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2kb3 s LEU 135 Cb -0.16 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2kb3 s LEU 135 CO 0.02 0.29 -0.23 -0.69 0.23 0.00 0.00 176.35 175.96 2kb3 s VAL 136 N -0.56 1.84 -0.31 -1.59 1.01 -0.07 -0.26 120.40 120.47 2kb3 s VAL 136 Ca 0.09 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2kb3 s VAL 136 Cb -0.09 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2kb3 s VAL 136 CO -0.01 0.52 0.13 0.12 0.00 0.00 0.00 175.10 175.86 2kb3 s PHE 137 N -0.30 3.17 0.18 5.22 5.36 -0.50 -0.74 117.98 130.37 2kb3 s PHE 137 Ca 0.02 -0.75 0.07 0.00 -0.96 0.00 0.00 56.93 55.31 2kb3 s PHE 137 Cb -0.11 -2.33 -0.05 0.00 -0.34 0.00 0.00 43.02 40.20 2kb3 s PHE 137 CO 0.01 -0.51 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.61 2kb3 s LEU 138 N 1.57 2.53 -0.08 6.12 2.01 0.16 0.23 118.68 131.21 2kb3 s LEU 138 Ca 0.04 -0.99 -0.30 0.00 0.01 0.00 0.00 54.13 52.89 2kb3 s LEU 138 Cb -0.17 -0.61 -0.03 0.00 0.01 0.00 0.00 46.19 45.39 2kb3 s LEU 138 CO 0.05 -0.19 1.24 0.00 1.01 0.00 0.00 176.35 178.46 2kb3 s ALA 139 N -2.90 3.56 0.00 4.21 0.00 -1.26 0.06 121.76 125.42 2kb3 s ALA 139 Ca 0.20 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2kb3 s ALA 139 Cb -0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kb3 s ALA 139 CO 0.05 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.31 2kb3 n GLY 140 N 3.48 0.73 3.73 0.00 0.00 -1.21 -4.79 105.19 107.12 2kb3 n GLY 140 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 2.39 -0.13 1.61 0.02 -1.26 -4.94 135.00 132.69 2kb3 s PRO 141 Ca 0.00 1.83 0.18 0.00 0.02 0.00 0.00 61.00 63.03 2kb3 s PRO 141 Cb 0.00 -1.86 0.29 0.00 0.02 0.00 0.00 34.50 32.95 2kb3 s PRO 141 CO 0.00 -1.66 1.15 0.00 -0.33 0.00 0.00 177.00 176.16 2kb3 n ALA 142 N -2.34 2.29 1.23 -1.55 0.00 -1.26 -4.77 120.51 114.11 2kb3 n ALA 142 Ca 0.14 -2.61 0.13 0.00 0.00 0.00 0.00 53.44 51.10 2kb3 n ALA 142 Cb 0.50 -0.38 0.30 0.00 0.00 0.00 0.00 19.45 19.86 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59