#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 3.68 -1.02 7.83 0.01 -1.26 -5.04 113.70 117.90 2kb3 s SER 2 Ca 0.00 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.65 2kb3 s SER 2 Cb 0.00 -1.29 0.02 0.00 0.21 0.00 0.00 66.02 64.96 2kb3 s SER 2 CO 0.00 0.21 1.64 -0.62 0.41 0.00 0.00 173.24 174.88 2kb3 s ASP 3 N 0.05 6.09 -1.14 2.44 2.15 -1.26 -4.88 116.67 120.12 2kb3 s ASP 3 Ca -0.07 -1.35 -0.16 0.00 0.43 0.00 0.00 52.55 51.40 2kb3 s ASP 3 Cb -0.15 -2.57 0.14 0.00 -0.30 0.00 0.00 42.92 40.04 2kb3 s ASP 3 CO 0.05 -1.89 1.41 0.21 -0.17 0.00 0.00 175.17 174.77 2kb3 s ASN 4 N 5.82 6.90 0.34 -0.34 2.47 -1.26 -5.00 114.94 123.88 2kb3 s ASN 4 Ca 0.55 -2.60 -0.27 0.00 0.42 0.00 0.00 52.86 50.95 2kb3 s ASN 4 Cb -0.01 -2.44 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 2kb3 s ASN 4 CO -0.05 -0.93 1.17 0.21 -3.72 0.00 0.00 177.10 173.79 2kb3 s ASN 5 N 3.35 6.85 -0.07 -4.21 2.47 -1.26 -4.96 114.94 117.11 2kb3 s ASN 5 Ca 0.42 2.38 -0.30 0.00 0.42 0.00 0.00 52.86 55.78 2kb3 s ASN 5 Cb -0.02 -2.62 -0.05 0.00 -1.45 0.00 0.00 41.25 37.10 2kb3 s ASN 5 CO -0.02 -0.45 1.59 -0.83 -3.72 0.00 0.00 177.10 173.68 2kb3 s GLY 6 N -0.93 1.56 -0.40 1.21 0.00 -1.26 -4.97 107.32 102.53 2kb3 s GLY 6 Ca 0.51 0.86 -0.22 0.00 0.00 0.00 0.00 44.72 45.87 2kb3 s GLY 6 CO 0.42 2.95 0.73 -1.08 0.00 0.00 0.00 173.10 176.11 2kb3 s THR 7 N 3.92 4.76 0.43 0.90 -1.32 -1.26 -5.06 115.64 118.02 2kb3 s THR 7 Ca 0.70 0.58 -0.21 0.00 -1.21 0.00 0.00 61.69 61.55 2kb3 s THR 7 Cb -0.32 -4.20 -0.11 0.00 -1.51 0.00 0.00 72.50 66.36 2kb3 s THR 7 CO 0.27 -0.50 0.96 -2.84 -2.21 0.00 0.00 174.62 170.30 2kb3 s PRO 8 N 3.01 4.18 -0.21 7.08 0.02 -1.26 -5.07 135.00 142.76 2kb3 s PRO 8 Ca 0.28 1.17 -0.07 0.00 0.02 0.00 0.00 61.00 62.40 2kb3 s PRO 8 Cb -0.13 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.16 2kb3 s PRO 8 CO 0.18 -0.08 0.05 -1.21 -0.33 0.00 0.00 177.00 175.61 2kb3 s GLU 9 N -3.13 3.80 0.62 5.54 2.02 -1.26 -5.09 118.70 121.20 2kb3 s GLU 9 Ca 0.62 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 55.01 2kb3 s GLU 9 Cb -0.11 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 2kb3 s GLU 9 CO 0.15 0.08 1.15 -1.25 0.02 0.00 0.00 175.26 175.41 2kb3 s PRO 10 N 0.88 2.90 0.32 0.39 0.04 -1.26 -5.06 135.00 133.21 2kb3 s PRO 10 Ca 0.03 1.62 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2kb3 s PRO 10 Cb -0.14 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2kb3 s PRO 10 CO 0.02 -1.21 0.05 -0.65 0.04 0.00 0.00 177.00 175.26 2kb3 s GLN 11 N -3.65 2.24 -0.02 4.56 -1.52 -1.26 -5.14 119.66 114.87 2kb3 s GLN 11 Ca 0.72 -1.59 0.04 0.00 -1.95 0.00 0.00 55.36 52.59 2kb3 s GLN 11 Cb -0.25 -2.08 -0.01 0.00 -0.22 0.00 0.00 33.01 30.45 2kb3 s GLN 11 CO 0.36 0.19 -0.15 0.08 -0.25 0.00 0.00 175.29 175.51 2kb3 s VAL 12 N -2.43 1.26 0.39 1.09 1.01 -1.26 -5.13 120.40 115.32 2kb3 s VAL 12 Ca 0.35 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.75 2kb3 s VAL 12 Cb -0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 2kb3 s VAL 12 CO 0.21 0.36 -0.02 -1.61 0.00 0.00 0.00 175.10 174.04 2kb3 s GLU 13 N -0.16 1.93 0.67 2.72 0.41 -1.26 -5.26 118.70 117.75 2kb3 s GLU 13 Ca 0.01 -2.04 -0.14 0.00 -0.41 0.00 0.00 54.97 52.39 2kb3 s GLU 13 Cb -0.08 -1.68 0.01 0.00 -1.78 0.00 0.00 34.13 30.60 2kb3 s GLU 13 CO 0.00 0.01 1.10 0.99 -0.49 0.00 0.00 175.26 176.88 2kb3 s THR 14 N -2.67 3.31 0.05 3.63 2.01 -1.26 -5.11 115.64 115.60 2kb3 s THR 14 Ca 0.34 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.95 2kb3 s THR 14 Cb 0.07 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 2kb3 s THR 14 CO 0.18 -0.41 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.05 2kb3 s SER 16 N -2.75 1.03 -0.34 3.53 0.15 -1.26 -4.83 113.70 109.24 2kb3 s SER 16 Ca 0.66 -0.55 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 2kb3 s SER 16 Cb -0.20 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 2kb3 s SER 16 CO 0.44 -0.17 0.92 -0.69 1.20 0.00 0.00 173.24 174.94 2kb3 s VAL 17 N -1.32 4.63 0.07 4.45 1.01 -1.26 -4.45 120.40 123.53 2kb3 s VAL 17 Ca -0.08 1.33 -0.19 0.00 0.00 0.00 0.00 61.98 63.04 2kb3 s VAL 17 Cb -0.10 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 2kb3 s VAL 17 CO 0.01 -0.44 0.57 0.12 0.00 0.00 0.00 175.10 175.36 2kb3 s PHE 18 N 3.36 3.81 0.03 5.22 5.36 -1.26 -5.04 117.98 129.46 2kb3 s PHE 18 Ca 0.38 1.28 -0.28 0.00 -0.96 0.00 0.00 56.93 57.35 2kb3 s PHE 18 Cb -0.13 -2.51 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 2kb3 s PHE 18 CO 0.16 0.58 0.90 1.03 -1.46 0.00 0.00 175.22 176.43 2kb3 s ARG 19 N -1.08 4.57 -1.39 10.12 1.81 -1.26 -4.95 118.95 126.78 2kb3 s ARG 19 Ca 0.29 1.30 -0.10 0.00 -1.72 0.00 0.00 55.73 55.50 2kb3 s ARG 19 Cb -0.20 -3.42 0.08 0.00 -0.45 0.00 0.00 34.95 30.97 2kb3 s ARG 19 CO 0.19 0.09 2.24 0.00 -0.68 0.00 0.00 175.30 177.14 2kb3 n ALA 20 N 3.40 6.04 0.35 2.13 0.00 -1.26 -4.45 120.51 126.71 2kb3 n ALA 20 Ca 0.03 -4.03 0.13 0.00 0.00 0.00 0.00 53.44 49.57 2kb3 n ALA 20 Cb 0.50 -3.15 0.37 0.00 0.00 0.00 0.00 19.45 17.17 2kb3 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb3 h ASP 21 N 5.48 0.00 0.14 0.00 3.58 -2.01 -3.10 116.42 120.50 2kb3 h ASP 21 Ca 0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.03 2kb3 h ASP 21 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2kb3 h ASP 21 CO 1.70 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 178.06 2kb3 n LEU 22 N -2.82 0.36 0.16 2.28 -0.00 -1.26 -1.32 117.00 114.40 2kb3 n LEU 22 Ca 0.03 0.65 0.01 0.00 -0.00 0.00 0.00 56.01 56.71 2kb3 n LEU 22 Cb 0.43 -0.67 0.32 0.00 -0.00 0.00 0.00 43.42 43.50 2kb3 n LEU 22 CO 0.30 -0.71 0.70 -0.07 -0.00 0.00 0.00 177.39 177.62 2kb3 h LEU 23 N 0.00 0.06 -1.24 1.47 3.38 -1.93 0.35 115.31 117.40 2kb3 h LEU 23 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2kb3 h LEU 23 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2kb3 h LEU 23 CO 0.00 0.44 -0.07 0.50 0.09 0.00 0.00 178.44 179.40 2kb3 h LYS 24 N 0.05 0.43 0.02 1.13 3.64 -1.45 0.45 116.57 120.84 2kb3 h LYS 24 Ca 0.00 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 2kb3 h LYS 24 Cb 0.70 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2kb3 h LYS 24 CO 0.05 0.52 -0.50 1.49 -2.27 0.00 0.00 179.45 178.74 2kb3 h GLU 25 N 0.41 0.05 -0.50 1.90 4.57 -1.50 -3.37 114.58 116.14 2kb3 h GLU 25 Ca 0.08 -0.08 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 2kb3 h GLU 25 Cb 0.38 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2kb3 h GLU 25 CO 0.02 1.04 0.34 1.98 -1.18 0.00 0.00 179.01 181.20 2kb3 h MET 26 N -0.89 0.30 -0.18 1.92 4.05 -0.08 -1.05 114.93 119.00 2kb3 h MET 26 Ca -0.12 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 2kb3 h MET 26 Cb 1.20 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 2kb3 h MET 26 CO -0.03 0.20 -0.03 1.49 0.23 0.00 0.00 176.91 178.76 2kb3 h GLU 27 N 0.31 0.26 -0.09 0.39 4.81 -1.07 0.49 114.58 119.68 2kb3 h GLU 27 Ca 0.23 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2kb3 h GLU 27 Cb 0.50 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2kb3 h GLU 27 CO -0.05 0.31 -0.46 1.03 -0.73 0.00 0.00 179.01 179.12 2kb3 h SER 28 N 0.26 0.22 1.31 1.04 0.87 -1.38 -2.49 113.55 113.38 2kb3 h SER 28 Ca 0.06 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2kb3 h SER 28 Cb 0.23 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2kb3 h SER 28 CO 0.01 0.65 -0.35 0.28 -0.53 0.00 0.00 176.83 176.89 2kb3 h SER 29 N 0.17 0.00 -2.48 6.23 0.02 -1.24 -3.47 113.55 112.79 2kb3 h SER 29 Ca 0.01 -0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.36 2kb3 h SER 29 Cb 0.88 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.45 2kb3 h SER 29 CO 0.07 0.04 1.12 0.41 -1.14 0.00 0.00 176.83 177.32 2kb3 n THR 30 N -2.44 0.39 0.00 -2.27 -1.04 0.04 -4.78 114.28 104.17 2kb3 n THR 30 Ca 0.04 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2kb3 n THR 30 Cb 0.47 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 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 4.25 -0.73 3.44 3.41 0.00 -1.26 -5.04 105.19 109.26 2kb3 n GLY 31 Ca 0.18 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2kb3 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb3 s THR 32 N -4.00 2.83 -0.12 2.61 -4.23 -1.26 -5.11 115.64 106.35 2kb3 s THR 32 Ca 0.00 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 2kb3 s THR 32 Cb 0.00 -2.08 0.02 0.00 1.34 0.00 0.00 72.50 71.78 2kb3 s THR 32 CO 0.00 0.59 -0.12 0.00 -0.54 0.00 0.00 174.62 174.55 2kb3 s ALA 33 N -0.68 1.55 0.76 3.99 0.00 -1.26 -5.13 121.76 120.99 2kb3 s ALA 33 Ca 0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 2kb3 s ALA 33 Cb -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.17 2kb3 s ALA 33 CO 0.00 -0.28 1.14 -1.25 0.00 0.00 0.00 175.76 175.38 2kb3 s PRO 34 N 1.38 2.07 0.19 0.00 0.04 -1.26 -5.06 135.00 132.36 2kb3 s PRO 34 Ca 0.00 1.49 0.08 0.00 0.04 0.00 0.00 61.00 62.61 2kb3 s PRO 34 Cb -0.13 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 2kb3 s PRO 34 CO -0.06 -1.83 -0.15 0.00 0.04 0.00 0.00 177.00 175.00 2kb3 s ALA 35 N -2.42 1.96 -0.59 8.56 0.00 -1.26 -4.69 121.76 123.32 2kb3 s ALA 35 Ca 0.68 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2kb3 s ALA 35 Cb -0.23 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2kb3 s ALA 35 CO 0.50 0.09 1.15 -1.12 0.00 0.00 0.00 175.76 176.38 2kb3 s SER 36 N -3.14 6.41 -1.12 0.00 0.01 -0.20 -4.90 113.70 110.76 2kb3 s SER 36 Ca 0.20 -0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.21 2kb3 s SER 36 Cb -0.02 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 2kb3 s SER 36 CO 0.06 -1.46 1.92 0.41 0.41 0.00 0.00 173.24 174.59 2kb3 n THR 37 N 6.56 1.98 -1.73 1.44 -1.04 -1.26 -3.58 114.28 116.64 2kb3 n THR 37 Ca 0.07 -2.00 -0.03 0.00 -2.04 0.00 0.00 64.05 60.05 2kb3 n THR 37 Cb 0.49 -2.20 -0.03 0.00 -1.82 0.00 0.00 70.33 66.77 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 5.55 0.32 0.21 3.41 0.00 -1.26 -4.98 105.19 108.44 2kb3 n GLY 38 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 0.72 -0.17 4.61 0.00 -1.89 -2.45 119.26 120.08 2kb3 h ALA 39 Ca -0.21 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2kb3 h ALA 39 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2kb3 h ALA 39 CO -0.11 0.69 0.00 -0.85 0.00 0.00 0.00 179.25 178.98 2kb3 n GLU 40 N -3.96 1.76 0.05 0.00 0.28 -1.26 -3.69 120.64 113.81 2kb3 n GLU 40 Ca -0.03 -1.15 -0.22 0.00 -0.16 0.00 0.00 57.16 55.60 2kb3 n GLU 40 Cb 0.60 -1.40 -0.14 0.00 1.43 0.00 0.00 31.44 31.92 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kb3 h ASN 41 N 2.33 0.51 -6.03 -1.84 -0.73 -1.83 -3.49 115.58 104.51 2kb3 h ASN 41 Ca 0.00 -0.90 -0.25 0.00 1.87 0.00 0.00 56.30 57.02 2kb3 h ASN 41 Cb 0.51 -0.17 0.01 0.00 0.27 0.00 0.00 38.32 38.95 2kb3 h ASN 41 CO 0.00 1.66 -0.56 0.18 -0.37 0.00 0.00 177.43 178.34 2kb3 n LEU 42 N -3.82 -4.34 0.18 0.34 4.77 -1.19 -4.97 117.00 107.97 2kb3 n LEU 42 Ca -0.23 -0.55 -0.07 0.00 -0.03 0.00 0.00 56.01 55.13 2kb3 n LEU 42 Cb 0.97 -2.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.50 2kb3 n LEU 42 CO 0.47 -0.31 0.38 1.55 -1.33 0.00 0.00 177.39 178.14 2kb3 h PRO 43 N -0.13 -0.46 0.00 3.23 0.13 -1.87 -3.27 132.00 129.64 2kb3 h PRO 43 Ca -0.34 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kb3 h PRO 43 Cb 1.21 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kb3 h PRO 43 CO 0.35 -0.31 0.00 0.00 -0.23 0.00 0.00 178.00 177.81 2kb3 h ALA 44 N -1.65 1.00 0.00 -0.56 0.00 -1.85 -3.46 119.26 112.75 2kb3 h ALA 44 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kb3 h ALA 44 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kb3 h ALA 44 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2kb3 n GLY 45 N 0.55 1.56 3.54 0.00 0.00 -1.23 -4.93 105.19 104.68 2kb3 n GLY 45 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.28 -0.07 0.05 1.61 0.01 -1.26 -4.79 113.70 105.98 2kb3 s SER 46 Ca 0.00 -0.95 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 2kb3 s SER 46 Cb 0.00 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.77 2kb3 s SER 46 CO 0.00 -1.10 0.06 0.00 0.41 0.00 0.00 173.24 172.61 2kb3 s ALA 47 N -4.02 0.14 0.19 1.44 0.00 -1.26 -4.34 121.76 113.91 2kb3 s ALA 47 Ca 0.23 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.45 2kb3 s ALA 47 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2kb3 s ALA 47 CO 0.08 -0.37 -0.17 -0.48 0.00 0.00 0.00 175.76 174.83 2kb3 s LEU 48 N -2.54 2.50 0.06 0.00 -0.00 -0.44 -0.34 118.68 117.92 2kb3 s LEU 48 Ca 0.01 -0.94 0.03 0.00 -0.00 0.00 0.00 54.13 53.22 2kb3 s LEU 48 Cb 0.03 -0.77 -0.03 0.00 -0.00 0.00 0.00 46.19 45.42 2kb3 s LEU 48 CO -0.08 -0.09 -0.09 -1.48 -0.00 0.00 0.00 176.35 174.61 2kb3 s LEU 49 N -3.02 2.29 -0.05 1.48 2.34 0.89 -0.61 118.68 122.00 2kb3 s LEU 49 Ca 0.20 -0.62 0.04 0.00 0.06 0.00 0.00 54.13 53.81 2kb3 s LEU 49 Cb -0.03 -0.23 -0.00 0.00 -0.56 0.00 0.00 46.19 45.36 2kb3 s LEU 49 CO 0.07 -0.21 -0.19 0.54 -1.06 0.00 0.00 176.35 175.51 2kb3 s VAL 50 N -1.62 1.56 -0.27 1.48 0.11 0.05 -0.30 120.40 121.42 2kb3 s VAL 50 Ca -0.06 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 57.92 2kb3 s VAL 50 Cb -0.08 -1.34 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 2kb3 s VAL 50 CO 0.00 0.45 1.07 -0.69 -3.33 0.00 0.00 175.10 172.60 2kb3 s VAL 51 N 0.05 4.58 -0.08 2.04 1.01 -0.62 -0.42 120.40 126.97 2kb3 s VAL 51 Ca -0.05 1.87 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2kb3 s VAL 51 Cb -0.13 -4.35 -0.24 0.00 0.00 0.00 0.00 36.38 31.66 2kb3 s VAL 51 CO 0.03 -0.33 0.53 1.17 0.00 0.00 0.00 175.10 176.50 2kb3 n LYS 52 N 6.60 0.67 -3.95 2.72 3.00 0.06 0.23 118.16 127.49 2kb3 n LYS 52 Ca 0.12 0.27 -0.16 0.00 -0.00 0.00 0.00 58.31 58.54 2kb3 n LYS 52 Cb 0.46 -1.75 -0.16 0.00 0.00 0.00 0.00 35.03 33.59 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kb3 s ARG 53 N -2.58 0.28 0.00 1.64 6.06 -0.98 -4.60 118.95 118.77 2kb3 s ARG 53 Ca -0.10 0.03 0.00 0.00 -2.50 0.00 0.00 55.73 53.15 2kb3 s ARG 53 Cb 0.07 -0.41 0.00 0.00 0.06 0.00 0.00 34.95 34.68 2kb3 s ARG 53 CO 0.81 -0.08 0.00 0.41 -2.50 0.00 0.00 175.30 173.93 2kb3 n GLY 54 N 3.83 2.06 0.33 8.12 0.00 -1.26 -3.65 105.19 114.62 2kb3 n GLY 54 Ca -0.23 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.25 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 0.70 -0.65 1.61 0.11 -2.00 -2.01 132.00 129.77 2kb3 h PRO 55 Ca 0.00 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 2kb3 h PRO 55 Cb 0.00 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 30.89 2kb3 h PRO 55 CO 0.00 0.47 0.14 0.27 -0.21 0.00 0.00 178.00 178.66 2kb3 n ASN 56 N -4.46 5.27 -4.77 -2.05 0.23 -1.26 -4.98 115.26 103.24 2kb3 n ASN 56 Ca 0.06 -3.09 -0.41 0.00 -0.53 0.00 0.00 54.58 50.61 2kb3 n ASN 56 Cb 0.08 -0.72 -0.00 0.00 -2.08 0.00 0.00 39.78 37.06 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb3 n ALA 57 N 0.21 2.39 0.00 -2.53 0.00 -0.76 -2.29 120.51 117.52 2kb3 n ALA 57 Ca 0.34 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2kb3 n ALA 57 Cb 1.29 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.91 2.80 3.83 0.00 0.00 0.14 -4.95 105.19 107.92 2kb3 n GLY 58 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.55 3.50 0.20 4.61 0.00 -0.97 -4.87 121.76 121.68 2kb3 s ALA 59 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2kb3 s ALA 59 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2kb3 s ALA 59 CO 0.00 0.39 0.10 -0.98 0.00 0.00 0.00 175.76 175.27 2kb3 s ARG 60 N -1.84 2.72 0.01 0.00 1.70 -1.26 -1.58 118.95 118.70 2kb3 s ARG 60 Ca 0.39 -1.03 0.01 0.00 -0.47 0.00 0.00 55.73 54.62 2kb3 s ARG 60 Cb -0.16 -2.50 -0.01 0.00 -0.57 0.00 0.00 34.95 31.70 2kb3 s ARG 60 CO 0.20 0.44 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.76 2kb3 s PHE 61 N -1.91 0.34 -0.06 5.89 0.08 0.59 -4.99 117.98 117.92 2kb3 s PHE 61 Ca 0.31 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 57.16 2kb3 s PHE 61 Cb -0.09 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 2kb3 s PHE 61 CO 0.22 -0.06 -0.24 -1.17 -0.10 0.00 0.00 175.22 173.87 2kb3 s LEU 62 N -0.71 2.10 -0.62 -0.37 0.20 -1.26 -0.07 118.68 117.95 2kb3 s LEU 62 Ca -0.05 -0.50 -0.28 0.00 0.69 0.00 0.00 54.13 53.99 2kb3 s LEU 62 Cb -0.05 -1.38 0.03 0.00 -0.43 0.00 0.00 46.19 44.35 2kb3 s LEU 62 CO -0.00 0.24 1.25 -0.76 -0.29 0.00 0.00 176.35 176.79 2kb3 s LEU 63 N -0.15 3.37 -0.02 -0.68 2.01 0.54 -4.77 118.68 118.98 2kb3 s LEU 63 Ca -0.04 -0.01 0.09 0.00 0.01 0.00 0.00 54.13 54.17 2kb3 s LEU 63 Cb -0.14 -2.99 -0.13 0.00 0.01 0.00 0.00 46.19 42.94 2kb3 s LEU 63 CO 0.04 -1.61 0.17 -0.67 1.01 0.00 0.00 176.35 175.29 2kb3 n ASP 64 N 8.86 2.98 -4.69 2.29 2.03 -1.26 -4.16 116.55 122.60 2kb3 n ASP 64 Ca 0.08 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 2kb3 n ASP 64 Cb 0.49 1.31 -0.09 0.00 -0.72 0.00 0.00 41.12 42.11 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 -2.56 2.80 0.66 -0.67 -2.07 -1.26 -4.99 119.66 111.57 2kb3 s GLN 65 Ca -0.03 -0.60 0.38 0.00 -1.82 0.00 0.00 55.36 53.29 2kb3 s GLN 65 Cb 0.05 -2.68 2.09 0.00 -1.09 0.00 0.00 33.01 31.38 2kb3 s GLN 65 CO 0.36 0.63 2.18 -1.35 -1.32 0.00 0.00 175.29 175.78 2kb3 h PRO 66 N 4.30 0.00 -3.22 9.60 0.11 -1.93 -3.38 132.00 137.48 2kb3 h PRO 66 Ca -0.49 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.30 2kb3 h PRO 66 Cb 1.18 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.92 2kb3 h PRO 66 CO 0.58 0.00 -0.68 0.99 -0.21 0.00 0.00 178.00 178.67 2kb3 s THR 67 N -4.11 -0.17 -0.07 -1.15 2.01 -1.26 -0.18 115.64 110.70 2kb3 s THR 67 Ca -0.04 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.38 2kb3 s THR 67 Cb 0.11 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.40 2kb3 s THR 67 CO 0.35 0.15 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.30 2kb3 s THR 68 N 2.10 2.05 -0.03 -0.82 2.01 0.40 -4.97 115.64 116.39 2kb3 s THR 68 Ca 0.02 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2kb3 s THR 68 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2kb3 s THR 68 CO -0.04 0.56 0.04 -0.89 -0.69 0.00 0.00 174.62 173.61 2kb3 s THR 69 N 0.04 4.52 -0.07 -0.82 2.01 -1.26 0.06 115.64 120.13 2kb3 s THR 69 Ca -0.10 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.55 2kb3 s THR 69 Cb -0.15 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2kb3 s THR 69 CO 0.06 0.42 -0.21 0.00 -0.69 0.00 0.00 174.62 174.20 2kb3 s ALA 70 N -1.09 2.32 0.00 7.40 0.00 0.51 -2.66 121.76 128.25 2kb3 s ALA 70 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2kb3 s ALA 70 Cb -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2kb3 s ALA 70 CO 0.10 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2kb3 n GLY 71 N 2.97 0.50 3.12 0.00 0.00 -0.98 0.32 105.19 111.12 2kb3 n GLY 71 Ca -0.18 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 2kb3 n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kb3 s ARG 72 N -1.38 2.90 -0.25 1.61 1.70 -1.05 -3.26 118.95 119.22 2kb3 s ARG 72 Ca 0.00 -0.89 -0.26 0.00 -0.47 0.00 0.00 55.73 54.11 2kb3 s ARG 72 Cb 0.00 -2.63 0.12 0.00 -0.57 0.00 0.00 34.95 31.87 2kb3 s ARG 72 CO 0.00 -0.26 1.00 -1.01 -1.08 0.00 0.00 175.30 173.95 2kb3 s HIS 73 N 1.27 -0.47 0.52 5.89 3.76 -1.26 -4.69 115.29 120.31 2kb3 s HIS 73 Ca 0.03 1.09 0.37 0.00 -0.15 0.00 0.00 55.06 56.41 2kb3 s HIS 73 Cb -0.14 0.38 1.96 0.00 1.11 0.00 0.00 32.58 35.89 2kb3 s HIS 73 CO -0.12 -0.27 2.23 -1.35 -0.85 0.00 0.00 174.74 174.39 2kb3 h PRO 74 N 3.90 0.00 -0.29 8.40 0.11 -2.00 -1.45 132.00 140.67 2kb3 h PRO 74 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2kb3 h PRO 74 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kb3 h PRO 74 CO 0.15 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.11 2kb3 n GLU 75 N -3.34 2.11 -2.81 1.05 -0.00 -1.26 -4.96 120.64 111.44 2kb3 n GLU 75 Ca -0.02 -1.95 -0.40 0.00 -0.00 0.00 0.00 57.16 54.80 2kb3 n GLU 75 Cb 0.14 -1.37 -0.06 0.00 -0.00 0.00 0.00 31.44 30.15 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kb3 s SER 76 N -1.20 7.57 -0.10 -1.84 0.01 -0.55 -4.81 113.70 112.77 2kb3 s SER 76 Ca 0.28 1.87 -0.28 0.00 1.31 0.00 0.00 55.95 59.13 2kb3 s SER 76 Cb 0.16 -2.58 -0.24 0.00 0.21 0.00 0.00 66.02 63.57 2kb3 s SER 76 CO 0.23 0.16 0.91 -0.78 0.41 0.00 0.00 173.24 174.17 2kb3 h ASP 77 N 4.13 0.01 -3.24 2.44 1.82 -1.82 -3.41 116.42 116.35 2kb3 h ASP 77 Ca -0.46 -0.85 -0.74 0.00 -0.39 0.00 0.00 57.03 54.59 2kb3 h ASP 77 Cb 1.20 -0.00 -0.23 0.00 0.68 0.00 0.00 39.33 40.98 2kb3 h ASP 77 CO 0.67 0.86 -0.30 0.27 -1.61 0.00 0.00 179.24 179.13 2kb3 s ILE 78 N -2.80 5.17 -0.04 2.25 -4.36 -1.20 -5.03 121.20 115.19 2kb3 s ILE 78 Ca -0.18 -1.22 -0.22 0.00 -0.26 0.00 0.00 60.65 58.77 2kb3 s ILE 78 Cb -0.02 -4.17 -0.05 0.00 1.25 0.00 0.00 42.46 39.48 2kb3 s ILE 78 CO 0.69 -0.67 0.63 0.12 0.24 0.00 0.00 174.94 175.95 2kb3 s PHE 79 N 1.62 3.63 -0.03 1.37 5.36 -1.26 -2.31 117.98 126.35 2kb3 s PHE 79 Ca 0.04 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 2kb3 s PHE 79 Cb -0.26 -2.69 -0.00 0.00 -0.34 0.00 0.00 43.02 39.73 2kb3 s PHE 79 CO 0.05 0.22 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.37 2kb3 s LEU 80 N 0.29 1.91 -0.01 6.12 1.43 -1.20 -4.96 118.68 122.26 2kb3 s LEU 80 Ca 0.33 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2kb3 s LEU 80 Cb -0.18 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 2kb3 s LEU 80 CO 0.17 0.15 -0.12 -0.62 0.23 0.00 0.00 176.35 176.15 2kb3 s ASP 81 N -0.02 1.47 0.11 2.29 2.15 -1.26 -4.60 116.67 116.81 2kb3 s ASP 81 Ca -0.02 -0.23 -0.09 0.00 0.43 0.00 0.00 52.55 52.64 2kb3 s ASP 81 Cb -0.10 -0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.36 2kb3 s ASP 81 CO 0.01 0.14 0.45 -0.67 -0.17 0.00 0.00 175.17 174.94 2kb3 n ASP 82 N 2.84 -0.87 0.13 -0.34 -0.08 -1.26 -4.40 116.55 112.57 2kb3 n ASP 82 Ca -0.15 -1.50 0.04 0.00 -1.51 0.00 0.00 54.79 51.67 2kb3 n ASP 82 Cb 0.55 1.42 0.02 0.00 2.34 0.00 0.00 41.12 45.45 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2kb3 h VAL 83 N 1.46 0.66 -1.84 5.18 2.07 -2.06 -3.40 116.25 118.30 2kb3 h VAL 83 Ca -0.13 -1.98 -0.55 0.00 0.82 0.00 0.00 66.70 64.86 2kb3 h VAL 83 Cb 0.56 2.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 2kb3 h VAL 83 CO 0.18 0.37 1.22 -0.89 0.02 0.00 0.00 177.57 178.47 2kb3 s THR 84 N -3.00 3.75 -0.15 2.57 2.01 -1.26 -4.97 115.64 114.59 2kb3 s THR 84 Ca 0.03 -0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 2kb3 s THR 84 Cb 0.08 -4.87 -0.04 0.00 0.01 0.00 0.00 72.50 67.67 2kb3 s THR 84 CO 0.75 -1.79 0.12 -0.69 -0.69 0.00 0.00 174.62 172.32 2kb3 s VAL 85 N 5.86 5.37 0.01 3.82 1.01 -1.26 -4.99 120.40 130.21 2kb3 s VAL 85 Ca 0.42 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2kb3 s VAL 85 Cb -0.06 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2kb3 s VAL 85 CO 0.06 0.54 -0.08 -0.55 0.00 0.00 0.00 175.10 175.08 2kb3 s SER 86 N -0.41 0.89 0.12 3.32 0.15 -1.26 -4.97 113.70 111.54 2kb3 s SER 86 Ca 0.11 -0.23 -0.17 0.00 0.70 0.00 0.00 55.95 56.36 2kb3 s SER 86 Cb -0.12 -0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2kb3 s SER 86 CO 0.01 0.03 1.69 0.08 1.20 0.00 0.00 173.24 176.25 2kb3 h ARG 87 N 5.61 0.48 -2.92 5.44 0.11 -1.90 -3.38 114.38 117.83 2kb3 h ARG 87 Ca -0.31 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 59.59 2kb3 h ARG 87 Cb 1.19 -0.09 -0.19 0.00 1.11 0.00 0.00 29.97 31.99 2kb3 h ARG 87 CO 0.48 0.45 -0.19 -0.98 0.10 0.00 0.00 179.97 179.83 2kb3 s ARG 88 N -5.68 0.77 -0.25 0.08 1.70 -1.26 -2.53 118.95 111.77 2kb3 s ARG 88 Ca -0.13 -0.18 -0.14 0.00 -0.47 0.00 0.00 55.73 54.80 2kb3 s ARG 88 Cb 0.09 0.34 -0.10 0.00 -0.57 0.00 0.00 34.95 34.71 2kb3 s ARG 88 CO 0.73 -0.23 -0.35 1.58 -1.08 0.00 0.00 175.30 175.96 2kb3 n HIS 89 N 1.06 0.00 -3.83 5.89 -0.00 0.15 -3.70 115.22 114.79 2kb3 n HIS 89 Ca -0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.42 2kb3 n HIS 89 Cb 0.57 -0.85 -0.05 0.00 -0.00 0.00 0.00 29.99 29.65 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 -2.58 -0.52 -0.05 1.57 0.00 -1.08 -0.66 121.76 118.44 2kb3 s ALA 90 Ca -0.35 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2kb3 s ALA 90 Cb 0.12 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.10 2kb3 s ALA 90 CO 0.46 -0.73 -0.11 -1.83 0.00 0.00 0.00 175.76 173.55 2kb3 s GLU 91 N -3.91 1.38 -0.22 0.00 -1.05 0.65 -0.36 118.70 115.19 2kb3 s GLU 91 Ca 0.12 -0.36 -0.07 0.00 -0.15 0.00 0.00 54.97 54.52 2kb3 s GLU 91 Cb 0.01 -1.20 -0.03 0.00 -0.44 0.00 0.00 34.13 32.47 2kb3 s GLU 91 CO -0.02 0.06 0.05 -0.06 0.95 0.00 0.00 175.26 176.24 2kb3 s PHE 92 N 0.51 3.11 -0.19 4.83 0.08 0.11 -0.19 117.98 126.24 2kb3 s PHE 92 Ca -0.10 -0.30 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 2kb3 s PHE 92 Cb -0.13 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2kb3 s PHE 92 CO 0.02 -0.20 0.03 1.03 -0.10 0.00 0.00 175.22 176.01 2kb3 s ARG 93 N 1.14 3.79 -0.30 0.44 0.52 0.50 -0.45 118.95 124.59 2kb3 s ARG 93 Ca 0.04 -0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 2kb3 s ARG 93 Cb -0.14 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.19 2kb3 s ARG 93 CO 0.03 0.13 0.09 0.42 0.02 0.00 0.00 175.30 175.99 2kb3 s ILE 94 N 0.72 3.99 -0.08 1.52 1.09 0.74 -0.57 121.20 128.62 2kb3 s ILE 94 Ca 0.02 -0.72 -0.02 0.00 -1.10 0.00 0.00 60.65 58.83 2kb3 s ILE 94 Cb -0.14 -3.08 0.03 0.00 -1.06 0.00 0.00 42.46 38.22 2kb3 s ILE 94 CO 0.02 0.05 0.02 0.21 -0.10 0.00 0.00 174.94 175.15 2kb3 s ASN 95 N 1.50 1.58 -1.46 3.58 3.04 0.60 -4.59 114.94 119.20 2kb3 s ASN 95 Ca 0.02 -0.11 -0.11 0.00 0.04 0.00 0.00 52.86 52.70 2kb3 s ASN 95 Cb -0.17 -0.36 0.05 0.00 -1.54 0.00 0.00 41.25 39.23 2kb3 s ASN 95 CO 0.03 -0.22 1.05 -0.62 -3.04 0.00 0.00 177.10 174.30 2kb3 n GLU 96 N 5.19 -6.44 -0.10 0.43 1.02 -1.26 -1.17 120.64 118.32 2kb3 n GLU 96 Ca -0.06 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2kb3 n GLU 96 Cb 0.50 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.80 1.86 3.78 0.62 0.00 -1.26 -5.02 105.19 103.36 2kb3 n GLY 97 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.32 3.66 -0.19 1.61 2.02 -0.31 -4.93 118.70 120.24 2kb3 s GLU 98 Ca 0.00 -0.22 -0.07 0.00 0.02 0.00 0.00 54.97 54.70 2kb3 s GLU 98 Cb 0.00 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2kb3 s GLU 98 CO 0.00 0.56 0.05 -0.06 0.02 0.00 0.00 175.26 175.83 2kb3 s PHE 99 N -0.43 3.19 -0.02 1.61 0.40 -1.26 -0.29 117.98 121.18 2kb3 s PHE 99 Ca 0.11 -0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2kb3 s PHE 99 Cb -0.12 -2.08 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 2kb3 s PHE 99 CO 0.02 0.04 -0.12 -1.83 0.70 0.00 0.00 175.22 174.03 2kb3 s GLU 100 N 0.57 1.13 -0.22 0.44 -1.05 0.27 -0.11 118.70 119.72 2kb3 s GLU 100 Ca 0.02 -0.41 -0.08 0.00 -0.15 0.00 0.00 54.97 54.35 2kb3 s GLU 100 Cb -0.13 -1.05 -0.04 0.00 -0.44 0.00 0.00 34.13 32.47 2kb3 s GLU 100 CO 0.01 0.19 0.09 0.08 0.95 0.00 0.00 175.26 176.59 2kb3 s VAL 101 N 0.00 4.82 -0.14 1.83 1.01 0.10 -0.37 120.40 127.65 2kb3 s VAL 101 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2kb3 s VAL 101 Cb -0.08 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 2kb3 s VAL 101 CO 0.00 0.39 -0.16 -0.69 0.00 0.00 0.00 175.10 174.64 2kb3 s VAL 102 N 0.91 2.61 0.08 2.92 1.01 0.73 -0.38 120.40 128.30 2kb3 s VAL 102 Ca 0.05 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2kb3 s VAL 102 Cb -0.14 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2kb3 s VAL 102 CO 0.03 0.52 0.91 -0.62 0.00 0.00 0.00 175.10 175.95 2kb3 s ASP 103 N 0.67 7.41 -0.01 3.32 -1.08 0.37 -0.25 116.67 127.11 2kb3 s ASP 103 Ca -0.08 1.69 0.01 0.00 -0.52 0.00 0.00 52.55 53.65 2kb3 s ASP 103 Cb -0.16 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 2kb3 s ASP 103 CO 0.02 -0.07 0.80 1.33 0.52 0.00 0.00 175.17 177.77 2kb3 n VAL 104 N 2.91 0.13 -2.85 1.11 0.24 -0.32 -4.91 118.33 114.64 2kb3 n VAL 104 Ca 0.01 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 2kb3 n VAL 104 Cb 0.50 0.67 0.02 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.09 0.62 0.88 7.63 0.00 0.17 -4.73 105.19 109.66 2kb3 n GLY 105 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kb3 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb3 n SER 106 N 1.68 1.56 -0.02 1.61 7.64 -1.26 -2.88 113.62 121.95 2kb3 n SER 106 Ca 0.12 -1.24 -0.19 0.00 1.01 0.00 0.00 58.87 58.57 2kb3 n SER 106 Cb 0.60 -0.31 -0.13 0.00 -1.01 0.00 0.00 64.21 63.36 2kb3 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb3 h LEU 107 N 1.13 0.22 0.00 -3.43 7.12 -1.91 -3.36 115.31 115.08 2kb3 h LEU 107 Ca 0.00 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.13 2kb3 h LEU 107 Cb 0.54 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 2kb3 h LEU 107 CO 0.00 1.33 -1.59 0.59 -0.13 0.00 0.00 178.44 178.64 2kb3 n ASN 108 N -4.29 0.35 -0.72 1.25 3.02 -1.14 -4.64 115.26 109.09 2kb3 n ASN 108 Ca -0.18 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2kb3 n ASN 108 Cb 0.70 1.37 0.00 0.00 -0.61 0.00 0.00 39.78 41.24 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb3 n GLY 109 N 1.23 -3.99 3.70 7.41 0.00 -1.19 -2.24 105.19 110.11 2kb3 n GLY 109 Ca -0.02 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.34 4.91 -0.08 2.61 2.01 -1.26 -4.22 115.64 118.26 2kb3 s THR 110 Ca 0.00 1.78 0.01 0.00 0.31 0.00 0.00 61.69 63.79 2kb3 s THR 110 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.33 2kb3 s THR 110 CO 0.00 0.13 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.66 2kb3 s TYR 111 N 1.37 1.33 -0.19 4.92 2.02 -0.81 -0.38 117.35 125.61 2kb3 s TYR 111 Ca 0.44 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2kb3 s TYR 111 Cb -0.19 -1.05 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2kb3 s TYR 111 CO 0.20 -0.34 -0.18 0.08 -1.57 0.00 0.00 175.55 173.73 2kb3 s VAL 112 N 1.09 2.15 -1.49 0.71 1.01 -0.09 -0.24 120.40 123.55 2kb3 s VAL 112 Ca -0.07 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 2kb3 s VAL 112 Cb -0.14 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.37 2kb3 s VAL 112 CO -0.01 0.49 1.01 -3.20 0.00 0.00 0.00 175.10 173.38 2kb3 n ASN 113 N 4.62 -4.84 -0.06 3.32 2.85 0.17 -1.39 115.26 119.93 2kb3 n ASN 113 Ca -0.20 -0.74 -0.01 0.00 -0.11 0.00 0.00 54.58 53.52 2kb3 n ASN 113 Cb 0.49 -4.12 -0.00 0.00 1.24 0.00 0.00 39.78 37.39 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 -4.72 -0.83 -4.04 1.20 1.74 -1.26 -4.92 116.66 103.83 2kb3 n ARG 114 Ca 0.01 0.27 -0.34 0.00 -0.77 0.00 0.00 57.85 57.01 2kb3 n ARG 114 Cb 0.54 -3.92 -0.10 0.00 -1.02 0.00 0.00 32.46 27.96 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -1.02 3.93 0.09 5.56 2.02 -0.48 -5.07 118.70 123.74 2kb3 s GLU 115 Ca 0.00 -0.37 -0.31 0.00 0.02 0.00 0.00 54.97 54.31 2kb3 s GLU 115 Cb 0.00 -3.19 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 2kb3 s GLU 115 CO 0.00 0.25 1.61 -1.25 0.02 0.00 0.00 175.26 175.89 2kb3 s PRO 116 N 0.42 4.21 0.26 0.39 0.04 -1.26 -0.91 135.00 138.14 2kb3 s PRO 116 Ca 0.02 2.31 0.08 0.00 0.04 0.00 0.00 61.00 63.45 2kb3 s PRO 116 Cb -0.13 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 2kb3 s PRO 116 CO 0.01 -0.68 -0.10 1.03 0.04 0.00 0.00 177.00 177.30 2kb3 s ARG 117 N 2.14 1.50 0.00 4.56 1.81 0.49 -4.93 118.95 124.53 2kb3 s ARG 117 Ca 0.72 -1.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2kb3 s ARG 117 Cb -0.40 -1.23 0.00 0.00 -0.45 0.00 0.00 34.95 32.87 2kb3 s ARG 117 CO 0.32 0.12 0.00 0.27 -0.68 0.00 0.00 175.30 175.32 2kb3 n ASN 118 N -0.53 1.46 -3.80 0.23 6.94 -1.26 -4.29 115.26 114.01 2kb3 n ASN 118 Ca -0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.37 2kb3 n ASN 118 Cb 0.62 0.03 -0.13 0.00 -2.36 0.00 0.00 39.78 37.94 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 119 N -1.35 -0.31 -0.20 -2.53 0.00 -1.26 -0.48 121.76 115.64 2kb3 s ALA 119 Ca 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 2kb3 s ALA 119 Cb 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 23.12 22.89 2kb3 s ALA 119 CO 0.00 -0.10 0.45 -1.14 0.00 0.00 0.00 175.76 174.97 2kb3 s GLN 120 N 0.44 0.40 -0.21 0.00 -0.44 0.49 -4.97 119.66 115.38 2kb3 s GLN 120 Ca -0.03 0.95 -0.29 0.00 -2.50 0.00 0.00 55.36 53.48 2kb3 s GLN 120 Cb -0.04 0.15 0.00 0.00 -1.64 0.00 0.00 33.01 31.48 2kb3 s GLN 120 CO -0.02 -0.19 1.13 0.08 0.50 0.00 0.00 175.29 176.79 2kb3 s VAL 121 N 1.92 4.52 0.11 1.34 1.01 -1.26 0.03 120.40 128.07 2kb3 s VAL 121 Ca -0.07 1.83 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 2kb3 s VAL 121 Cb -0.09 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 2kb3 s VAL 121 CO -0.14 -0.19 0.66 -0.32 0.00 0.00 0.00 175.10 175.12 2kb3 s MET 122 N 3.35 4.36 0.14 2.72 1.75 0.84 -4.97 119.30 127.49 2kb3 s MET 122 Ca 0.48 0.92 0.06 0.00 -1.25 0.00 0.00 55.69 55.90 2kb3 s MET 122 Cb -0.17 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.21 2kb3 s MET 122 CO 0.10 0.61 -0.14 1.14 -0.65 0.00 0.00 175.02 176.08 2kb3 s GLN 123 N -1.14 1.08 0.13 4.11 -2.07 -1.26 -4.57 119.66 115.94 2kb3 s GLN 123 Ca 0.32 -1.32 -0.30 0.00 -1.82 0.00 0.00 55.36 52.24 2kb3 s GLN 123 Cb -0.21 -0.93 -0.06 0.00 -1.09 0.00 0.00 33.01 30.72 2kb3 s GLN 123 CO 0.22 0.17 0.96 -0.08 -1.32 0.00 0.00 175.29 175.24 2kb3 s THR 124 N -2.37 4.45 0.00 3.63 -1.32 -1.26 -3.70 115.64 115.06 2kb3 s THR 124 Ca 0.12 2.07 0.00 0.00 -1.21 0.00 0.00 61.69 62.67 2kb3 s THR 124 Cb -0.04 -4.32 0.00 0.00 -1.51 0.00 0.00 72.50 66.63 2kb3 s THR 124 CO 0.03 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.39 2kb3 n GLY 125 N 2.16 3.44 3.81 6.08 0.00 0.64 -1.03 105.19 120.28 2kb3 n GLY 125 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -0.94 6.26 0.06 1.61 1.11 -1.24 -4.67 116.67 118.86 2kb3 s ASP 126 Ca 0.00 1.83 0.05 0.00 0.18 0.00 0.00 52.55 54.61 2kb3 s ASP 126 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2kb3 s ASP 126 CO 0.00 -0.84 -0.07 -1.83 1.18 0.00 0.00 175.17 173.61 2kb3 s GLU 127 N -3.58 2.36 -0.21 8.23 1.03 -1.26 -2.26 118.70 123.01 2kb3 s GLU 127 Ca 0.65 -0.88 -0.07 0.00 0.03 0.00 0.00 54.97 54.70 2kb3 s GLU 127 Cb -0.15 -2.42 -0.03 0.00 -0.80 0.00 0.00 34.13 30.73 2kb3 s GLU 127 CO 0.26 0.55 0.05 0.42 -1.33 0.00 0.00 175.26 175.21 2kb3 s ILE 128 N -1.14 4.42 -0.18 1.83 1.01 0.11 0.45 121.20 127.70 2kb3 s ILE 128 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 2kb3 s ILE 128 Cb -0.11 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2kb3 s ILE 128 CO 0.12 0.40 -0.04 -1.58 0.00 0.00 0.00 174.94 173.84 2kb3 s GLN 129 N 1.01 3.56 -0.29 2.79 -0.44 0.67 -0.41 119.66 126.55 2kb3 s GLN 129 Ca 0.03 -0.56 -0.01 0.00 -2.50 0.00 0.00 55.36 52.32 2kb3 s GLN 129 Cb -0.14 -2.94 0.09 0.00 -1.64 0.00 0.00 33.01 28.38 2kb3 s GLN 129 CO 0.03 0.08 0.07 0.42 0.50 0.00 0.00 175.29 176.39 2kb3 s ILE 130 N 0.77 0.94 0.00 -2.34 1.01 -0.10 -1.93 121.20 119.55 2kb3 s ILE 130 Ca -0.02 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.35 2kb3 s ILE 130 Cb -0.15 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2kb3 s ILE 130 CO 0.02 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.02 2kb3 n GLY 131 N 4.84 0.37 0.00 6.18 0.00 -0.95 -0.06 105.19 115.58 2kb3 n GLY 131 Ca -0.04 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 1.05 -3.99 1.61 2.85 -1.26 -4.93 118.16 113.49 2kb3 n LYS 132 Ca 0.00 -0.83 -0.29 0.00 -1.05 0.00 0.00 58.31 56.14 2kb3 n LYS 132 Cb 0.00 -0.70 -0.05 0.00 -0.65 0.00 0.00 35.03 33.63 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kb3 s PHE 133 N -0.36 3.36 -0.05 5.58 0.40 0.92 -4.82 117.98 123.01 2kb3 s PHE 133 Ca 0.00 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 2kb3 s PHE 133 Cb 0.00 -1.66 0.03 0.00 0.51 0.00 0.00 43.02 41.90 2kb3 s PHE 133 CO 0.00 0.54 0.01 -0.98 0.70 0.00 0.00 175.22 175.49 2kb3 s ARG 134 N -2.73 0.37 -0.00 0.44 3.03 -1.24 -0.92 118.95 117.90 2kb3 s ARG 134 Ca 0.33 0.13 0.08 0.00 2.03 0.00 0.00 55.73 58.30 2kb3 s ARG 134 Cb -0.12 -0.68 -0.02 0.00 -1.03 0.00 0.00 34.95 33.10 2kb3 s ARG 134 CO 0.26 -0.23 -0.25 -0.51 -1.13 0.00 0.00 175.30 173.44 2kb3 s LEU 135 N 1.57 2.08 -0.20 -1.89 1.02 0.45 -0.76 118.68 120.95 2kb3 s LEU 135 Ca -0.02 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 2kb3 s LEU 135 Cb -0.13 -1.29 -0.02 0.00 0.02 0.00 0.00 46.19 44.78 2kb3 s LEU 135 CO -0.03 0.29 -0.03 -0.69 0.02 0.00 0.00 176.35 175.91 2kb3 s VAL 136 N -0.65 3.65 -0.21 -1.59 1.01 0.44 0.08 120.40 123.13 2kb3 s VAL 136 Ca 0.10 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2kb3 s VAL 136 Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2kb3 s VAL 136 CO -0.00 0.44 0.11 0.12 0.00 0.00 0.00 175.10 175.76 2kb3 s PHE 137 N 1.10 3.27 -0.02 5.22 5.36 -0.96 -0.77 117.98 131.19 2kb3 s PHE 137 Ca 0.02 0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.09 2kb3 s PHE 137 Cb -0.15 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 2kb3 s PHE 137 CO 0.00 0.08 0.03 -0.48 -1.46 0.00 0.00 175.22 173.39 2kb3 s LEU 138 N 0.77 1.17 -0.25 6.12 2.34 0.22 -0.26 118.68 128.79 2kb3 s LEU 138 Ca 0.06 0.04 -0.05 0.00 0.06 0.00 0.00 54.13 54.23 2kb3 s LEU 138 Cb -0.13 -0.06 -0.01 0.00 -0.56 0.00 0.00 46.19 45.43 2kb3 s LEU 138 CO 0.02 -0.12 0.01 0.00 -1.06 0.00 0.00 176.35 175.21 2kb3 s ALA 139 N 0.97 2.95 0.00 1.48 0.00 -1.26 -1.33 121.76 124.56 2kb3 s ALA 139 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2kb3 s ALA 139 Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2kb3 s ALA 139 CO -0.03 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2kb3 n GLY 140 N 4.83 -2.14 3.77 0.00 0.00 -1.26 -4.82 105.19 105.57 2kb3 n GLY 140 Ca -0.17 0.70 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.90 3.77 -0.53 1.61 0.02 -1.26 -3.71 135.00 134.00 2kb3 s PRO 141 Ca 0.00 2.43 0.05 0.00 0.02 0.00 0.00 61.00 63.51 2kb3 s PRO 141 Cb 0.00 -2.72 0.20 0.00 0.02 0.00 0.00 34.50 32.00 2kb3 s PRO 141 CO 0.00 -0.75 0.49 0.00 -0.33 0.00 0.00 177.00 176.41 2kb3 n ALA 142 N -0.06 3.14 1.18 -1.55 0.00 -1.26 -4.72 120.51 117.24 2kb3 n ALA 142 Ca 0.04 -3.86 0.13 0.00 0.00 0.00 0.00 53.44 49.75 2kb3 n ALA 142 Cb 0.41 -0.87 0.25 0.00 0.00 0.00 0.00 19.45 19.25 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59