#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 -1.49 -4.48 7.83 7.64 -1.26 -5.00 113.62 116.86 2kb3 n SER 2 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2kb3 n SER 2 Cb 0.00 -0.67 -0.12 0.00 -1.01 0.00 0.00 64.21 62.41 2kb3 n SER 2 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kb3 s ASP 3 N -2.48 5.21 0.36 6.43 1.47 -1.26 -5.06 116.67 121.34 2kb3 s ASP 3 Ca 0.00 -0.16 -0.01 0.00 1.18 0.00 0.00 52.55 53.56 2kb3 s ASP 3 Cb 0.00 -1.93 0.00 0.00 -0.34 0.00 0.00 42.92 40.66 2kb3 s ASP 3 CO 0.00 0.00 0.49 0.54 0.68 0.00 0.00 175.17 176.88 2kb3 s ASN 4 N 1.38 1.05 -0.00 2.11 4.22 -1.26 -4.62 114.94 117.82 2kb3 s ASN 4 Ca 0.05 -1.54 0.01 0.00 -2.14 0.00 0.00 52.86 49.24 2kb3 s ASN 4 Cb -0.15 0.68 -0.00 0.00 1.28 0.00 0.00 41.25 43.06 2kb3 s ASN 4 CO 0.04 -1.33 -0.03 0.20 -2.04 0.00 0.00 177.10 173.94 2kb3 s ASN 5 N -3.26 0.32 -0.73 3.54 -0.87 -1.26 -4.83 114.94 107.85 2kb3 s ASN 5 Ca 0.31 -0.07 -0.26 0.00 -1.57 0.00 0.00 52.86 51.26 2kb3 s ASN 5 Cb -0.01 -0.03 0.01 0.00 -0.02 0.00 0.00 41.25 41.21 2kb3 s ASN 5 CO 0.22 0.02 1.49 -0.83 -2.57 0.00 0.00 177.10 175.43 2kb3 s GLY 6 N -0.14 0.69 0.33 0.66 0.00 -1.26 -4.98 107.32 102.61 2kb3 s GLY 6 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 44.72 43.22 2kb3 s GLY 6 CO -0.00 2.91 0.97 -1.08 0.00 0.00 0.00 173.10 175.90 2kb3 s THR 7 N 6.83 4.07 0.45 0.90 -1.32 -1.26 -4.98 115.64 120.33 2kb3 s THR 7 Ca 0.47 1.72 -0.25 0.00 -1.21 0.00 0.00 61.69 62.42 2kb3 s THR 7 Cb -0.09 -3.96 -0.08 0.00 -1.51 0.00 0.00 72.50 66.87 2kb3 s THR 7 CO 0.14 0.14 1.38 -2.65 -2.21 0.00 0.00 174.62 171.41 2kb3 n PRO 8 N 0.51 2.10 -2.71 7.08 -0.02 -1.26 -4.96 135.00 135.73 2kb3 n PRO 8 Ca 0.02 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 2kb3 n PRO 8 Cb 0.50 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb3 s GLU 9 N -2.42 4.79 -0.41 -0.52 2.02 -1.26 -4.92 118.70 115.98 2kb3 s GLU 9 Ca 0.62 1.51 -0.27 0.00 0.02 0.00 0.00 54.97 56.86 2kb3 s GLU 9 Cb -0.46 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.50 2kb3 s GLU 9 CO 0.57 0.44 2.28 -1.25 0.02 0.00 0.00 175.26 177.32 2kb3 s PRO 10 N -1.33 2.50 0.32 0.39 0.04 -1.26 -4.94 135.00 130.73 2kb3 s PRO 10 Ca 0.43 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 2kb3 s PRO 10 Cb -0.26 -4.49 -0.05 0.00 0.04 0.00 0.00 34.50 29.75 2kb3 s PRO 10 CO 0.32 -2.83 0.58 -1.14 0.04 0.00 0.00 177.00 173.97 2kb3 s GLN 11 N 7.48 3.59 -0.23 4.56 0.74 -1.26 -5.06 119.66 129.48 2kb3 s GLN 11 Ca 0.95 -0.05 -0.06 0.00 0.05 0.00 0.00 55.36 56.25 2kb3 s GLN 11 Cb -0.22 -2.62 -0.02 0.00 1.10 0.00 0.00 33.01 31.25 2kb3 s GLN 11 CO 0.29 0.15 0.03 0.08 -0.55 0.00 0.00 175.29 175.29 2kb3 s VAL 12 N -2.21 4.01 -0.26 1.34 1.01 -1.26 -5.01 120.40 118.03 2kb3 s VAL 12 Ca 0.43 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 2kb3 s VAL 12 Cb -0.10 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.50 2kb3 s VAL 12 CO 0.33 0.38 0.65 -0.70 0.00 0.00 0.00 175.10 175.75 2kb3 s GLU 13 N 1.44 0.68 0.00 2.72 2.12 -1.26 -5.16 118.70 119.24 2kb3 s GLU 13 Ca 0.05 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.49 2kb3 s GLU 13 Cb -0.15 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.41 2kb3 s GLU 13 CO 0.01 -0.14 0.00 2.41 -0.54 0.00 0.00 175.26 177.01 2kb3 n THR 14 N 3.96 0.00 -3.65 -1.70 -1.04 -1.26 -4.98 114.28 105.60 2kb3 n THR 14 Ca -0.19 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.79 2kb3 n THR 14 Cb 0.58 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.74 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb3 s SER 16 N -1.22 -0.92 0.06 8.00 0.01 -1.26 -5.11 113.70 113.26 2kb3 s SER 16 Ca 0.00 1.43 -0.26 0.00 1.31 0.00 0.00 55.95 58.43 2kb3 s SER 16 Cb 0.00 2.02 -0.06 0.00 0.21 0.00 0.00 66.02 68.20 2kb3 s SER 16 CO 0.00 -0.22 0.81 -0.69 0.41 0.00 0.00 173.24 173.55 2kb3 s VAL 17 N 2.76 4.68 0.00 3.43 1.01 -1.26 -4.99 120.40 126.02 2kb3 s VAL 17 Ca -0.05 1.73 0.07 0.00 0.00 0.00 0.00 61.98 63.73 2kb3 s VAL 17 Cb -0.12 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 2kb3 s VAL 17 CO -0.17 0.35 -0.22 0.72 0.00 0.00 0.00 175.10 175.78 2kb3 s PHE 18 N -0.04 1.96 0.12 5.22 -0.12 -1.25 -5.12 117.98 118.74 2kb3 s PHE 18 Ca 0.41 -0.37 -0.26 0.00 -0.05 0.00 0.00 56.93 56.65 2kb3 s PHE 18 Cb -0.21 -1.24 -0.07 0.00 -0.63 0.00 0.00 43.02 40.87 2kb3 s PHE 18 CO 0.25 0.01 0.80 -0.98 -0.05 0.00 0.00 175.22 175.24 2kb3 s ARG 19 N -0.71 4.56 0.09 1.99 1.70 -1.26 -4.72 118.95 120.60 2kb3 s ARG 19 Ca 0.09 1.16 0.03 0.00 -0.47 0.00 0.00 55.73 56.54 2kb3 s ARG 19 Cb -0.09 -3.31 -0.04 0.00 -0.57 0.00 0.00 34.95 30.94 2kb3 s ARG 19 CO -0.00 0.42 0.13 0.00 -1.08 0.00 0.00 175.30 174.77 2kb3 s ALA 20 N -0.60 3.69 -2.40 7.88 0.00 -1.26 -5.00 121.76 124.07 2kb3 s ALA 20 Ca 0.38 -1.01 0.23 0.00 0.00 0.00 0.00 51.96 51.57 2kb3 s ALA 20 Cb -0.22 -1.53 0.79 0.00 0.00 0.00 0.00 23.12 22.16 2kb3 s ALA 20 CO 0.26 0.71 1.59 -3.47 0.00 0.00 0.00 175.76 174.84 2kb3 n ASP 21 N 0.21 1.81 0.25 0.00 2.03 -1.26 -4.32 116.55 115.28 2kb3 n ASP 21 Ca -0.08 -1.68 0.16 0.00 0.52 0.00 0.00 54.79 53.72 2kb3 n ASP 21 Cb 0.52 -0.08 0.87 0.00 -0.72 0.00 0.00 41.12 41.71 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 2.56 0.00 0.00 -2.67 8.10 -1.94 -1.96 115.31 119.39 2kb3 h LEU 22 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kb3 h LEU 22 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2kb3 h LEU 22 CO 0.00 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.33 2kb3 n LEU 23 N -2.65 0.00 0.08 0.17 -0.00 -1.26 -0.97 117.00 112.37 2kb3 n LEU 23 Ca -0.02 0.39 -0.04 0.00 -0.00 0.00 0.00 56.01 56.33 2kb3 n LEU 23 Cb 0.10 -0.39 -0.08 0.00 -0.00 0.00 0.00 43.42 43.05 2kb3 n LEU 23 CO 0.14 -0.19 0.22 0.11 -0.00 0.00 0.00 177.39 177.67 2kb3 h LYS 24 N 0.00 0.00 0.00 1.47 1.79 -1.72 -3.21 116.57 114.91 2kb3 h LYS 24 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 2kb3 h LYS 24 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2kb3 h LYS 24 CO 0.00 0.83 -1.01 1.49 -1.08 0.00 0.00 179.45 179.69 2kb3 h GLU 25 N 0.00 0.00 -0.33 3.15 4.22 -1.25 -3.33 114.58 117.03 2kb3 h GLU 25 Ca -0.02 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.49 2kb3 h GLU 25 Cb 1.66 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.85 2kb3 h GLU 25 CO 0.11 0.12 -0.04 1.98 -2.18 0.00 0.00 179.01 178.99 2kb3 h MET 26 N 0.00 0.04 -0.00 1.92 4.05 -1.36 -0.57 114.93 119.02 2kb3 h MET 26 Ca -0.05 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2kb3 h MET 26 Cb 1.20 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2kb3 h MET 26 CO 0.02 0.03 -0.20 -0.85 0.23 0.00 0.00 176.91 176.14 2kb3 n GLU 27 N -5.23 0.01 0.11 0.39 -0.00 -1.25 -2.68 120.64 111.99 2kb3 n GLU 27 Ca 0.01 -0.00 -0.22 0.00 -0.00 0.00 0.00 57.16 56.95 2kb3 n GLU 27 Cb 0.18 -1.50 -0.14 0.00 -0.00 0.00 0.00 31.44 29.99 2kb3 n GLU 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2kb3 h SER 28 N 0.00 0.82 1.14 -1.84 0.87 -1.27 -3.29 113.55 109.98 2kb3 h SER 28 Ca 0.00 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 2kb3 h SER 28 Cb 0.50 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2kb3 h SER 28 CO 0.00 1.61 -0.63 0.28 -0.53 0.00 0.00 176.83 177.55 2kb3 h SER 29 N 0.22 0.00 -2.97 6.23 0.02 -1.19 -3.45 113.55 112.41 2kb3 h SER 29 Ca -0.20 -0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 60.10 2kb3 h SER 29 Cb 1.99 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.50 2kb3 h SER 29 CO 0.25 0.04 1.07 -0.89 -1.14 0.00 0.00 176.83 176.15 2kb3 s THR 30 N -3.25 3.88 0.00 -2.27 2.01 -1.09 -3.99 115.64 110.92 2kb3 s THR 30 Ca 0.04 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.01 2kb3 s THR 30 Cb 0.10 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2kb3 s THR 30 CO 0.73 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2kb3 n GLY 31 N 4.63 -0.63 3.26 4.40 0.00 -1.26 -4.95 105.19 110.64 2kb3 n GLY 31 Ca 0.17 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 2.90 0.04 2.61 -4.23 -1.26 -5.10 115.64 110.60 2kb3 s THR 32 Ca 0.00 -0.66 0.06 0.00 -1.18 0.00 0.00 61.69 59.91 2kb3 s THR 32 Cb 0.00 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 2kb3 s THR 32 CO 0.00 0.47 -0.17 0.00 -0.54 0.00 0.00 174.62 174.39 2kb3 s ALA 33 N 1.27 1.39 0.68 3.99 0.00 -1.26 -5.10 121.76 122.73 2kb3 s ALA 33 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 2kb3 s ALA 33 Cb -0.14 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2kb3 s ALA 33 CO -0.05 0.29 1.10 -2.14 0.00 0.00 0.00 175.76 174.96 2kb3 s PRO 34 N -1.08 2.73 0.08 0.00 0.02 -1.26 -4.94 135.00 130.56 2kb3 s PRO 34 Ca 0.04 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 62.04 2kb3 s PRO 34 Cb -0.08 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2kb3 s PRO 34 CO 0.01 -1.29 1.73 0.00 -0.33 0.00 0.00 177.00 177.12 2kb3 s ALA 35 N -2.54 3.70 -0.92 -1.55 0.00 -1.26 -4.84 121.76 114.35 2kb3 s ALA 35 Ca 0.64 1.28 0.22 0.00 0.00 0.00 0.00 51.96 54.10 2kb3 s ALA 35 Cb -0.19 -3.73 -0.15 0.00 0.00 0.00 0.00 23.12 19.05 2kb3 s ALA 35 CO 0.45 -1.18 0.93 0.43 0.00 0.00 0.00 175.76 176.39 2kb3 n SER 36 N 5.79 0.87 -4.78 0.00 7.64 -1.25 -4.82 113.62 117.06 2kb3 n SER 36 Ca 0.17 -0.83 -0.36 0.00 1.01 0.00 0.00 58.87 58.86 2kb3 n SER 36 Cb 0.40 0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 64.55 2kb3 n SER 36 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kb3 s THR 37 N -3.04 3.56 0.00 0.44 -1.32 -1.26 -2.62 115.64 111.39 2kb3 s THR 37 Ca 0.07 1.11 0.00 0.00 -1.21 0.00 0.00 61.69 61.66 2kb3 s THR 37 Cb 0.16 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 2kb3 s THR 37 CO 0.85 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.80 2kb3 n GLY 38 N 0.19 1.62 0.26 6.08 0.00 -1.26 -4.92 105.19 107.16 2kb3 n GLY 38 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 1.40 0.00 4.61 0.00 -1.95 -1.52 119.26 121.80 2kb3 h ALA 39 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2kb3 h ALA 39 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kb3 h ALA 39 CO 0.00 0.16 -0.12 1.05 0.00 0.00 0.00 179.25 180.34 2kb3 h GLU 40 N 0.00 0.00 0.00 0.00 4.11 -1.92 -2.94 114.58 113.83 2kb3 h GLU 40 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kb3 h GLU 40 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kb3 h GLU 40 CO 0.02 0.12 -1.12 0.09 0.07 0.00 0.00 179.01 178.18 2kb3 n ASN 41 N -3.26 0.62 -3.32 3.06 4.13 -0.58 -5.01 115.26 110.91 2kb3 n ASN 41 Ca 0.00 -0.39 -0.12 0.00 1.68 0.00 0.00 54.58 55.75 2kb3 n ASN 41 Cb 0.37 0.98 0.02 0.00 -1.54 0.00 0.00 39.78 39.61 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 -1.85 -5.13 0.21 3.41 4.77 -1.11 -4.94 117.00 112.35 2kb3 n LEU 42 Ca 0.02 -0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 55.36 2kb3 n LEU 42 Cb 0.42 -2.87 -0.07 0.00 -2.33 0.00 0.00 43.42 38.57 2kb3 n LEU 42 CO 0.41 -0.40 0.66 1.55 -1.33 0.00 0.00 177.39 178.28 2kb3 h PRO 43 N -0.32 -0.64 0.00 3.23 0.13 -1.87 -2.77 132.00 129.76 2kb3 h PRO 43 Ca -0.32 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2kb3 h PRO 43 Cb 1.18 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kb3 h PRO 43 CO 0.37 -0.42 -0.12 0.00 -0.23 0.00 0.00 178.00 177.59 2kb3 h ALA 44 N -0.12 0.93 0.00 -0.56 0.00 -1.90 -3.47 119.26 114.14 2kb3 h ALA 44 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kb3 h ALA 44 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kb3 h ALA 44 CO -0.05 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2kb3 n GLY 45 N 1.12 1.77 3.33 0.00 0.00 -1.05 -4.04 105.19 106.33 2kb3 n GLY 45 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.36 -0.18 0.06 1.61 0.01 -1.20 -5.04 113.70 105.60 2kb3 s SER 46 Ca 0.00 -0.41 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 2kb3 s SER 46 Cb 0.00 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2kb3 s SER 46 CO 0.00 -0.87 0.15 0.00 0.41 0.00 0.00 173.24 172.93 2kb3 s ALA 47 N -3.83 -0.15 0.06 1.44 0.00 -1.26 -3.19 121.76 114.84 2kb3 s ALA 47 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2kb3 s ALA 47 Cb 0.02 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 2kb3 s ALA 47 CO -0.10 -0.41 -0.06 -0.48 0.00 0.00 0.00 175.76 174.71 2kb3 s LEU 48 N -2.50 2.40 -0.09 0.00 0.05 0.35 -0.21 118.68 118.68 2kb3 s LEU 48 Ca 0.00 -0.80 0.03 0.00 0.05 0.00 0.00 54.13 53.41 2kb3 s LEU 48 Cb 0.02 -0.01 -0.01 0.00 -2.05 0.00 0.00 46.19 44.14 2kb3 s LEU 48 CO -0.08 -0.40 -0.18 -1.48 -0.55 0.00 0.00 176.35 173.67 2kb3 s LEU 49 N -2.38 2.49 -0.13 1.48 2.34 -0.33 -0.70 118.68 121.45 2kb3 s LEU 49 Ca 0.01 -0.37 -0.03 0.00 0.06 0.00 0.00 54.13 53.80 2kb3 s LEU 49 Cb -0.01 -1.52 -0.03 0.00 -0.56 0.00 0.00 46.19 44.08 2kb3 s LEU 49 CO -0.04 0.23 -0.02 -0.69 -1.06 0.00 0.00 176.35 174.77 2kb3 s VAL 50 N -0.04 4.07 -0.27 1.48 1.01 0.95 -1.42 120.40 126.19 2kb3 s VAL 50 Ca -0.05 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 2kb3 s VAL 50 Cb -0.14 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2kb3 s VAL 50 CO 0.04 0.53 0.91 -0.69 0.00 0.00 0.00 175.10 175.90 2kb3 s VAL 51 N -0.12 4.73 0.05 2.92 1.01 0.09 -0.18 120.40 128.91 2kb3 s VAL 51 Ca 0.03 1.62 0.05 0.00 0.00 0.00 0.00 61.98 63.68 2kb3 s VAL 51 Cb -0.13 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.79 2kb3 s VAL 51 CO 0.02 -0.21 1.03 0.50 0.00 0.00 0.00 175.10 176.44 2kb3 h LYS 52 N 7.80 0.08 -2.04 2.72 1.63 -1.58 0.34 116.57 125.52 2kb3 h LYS 52 Ca -0.22 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.39 2kb3 h LYS 52 Cb 1.08 0.05 -0.19 0.00 -0.60 0.00 0.00 32.23 32.58 2kb3 h LYS 52 CO 0.93 0.94 0.21 0.50 -3.45 0.00 0.00 179.45 178.57 2kb3 s ARG 53 N -2.66 1.05 0.00 1.90 3.52 -1.24 -4.68 118.95 116.84 2kb3 s ARG 53 Ca -0.03 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 2kb3 s ARG 53 Cb 0.09 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 33.97 2kb3 s ARG 53 CO 0.83 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 175.40 2kb3 n GLY 54 N 0.82 0.49 0.05 8.12 0.00 -1.26 -4.24 105.19 109.16 2kb3 n GLY 54 Ca -0.18 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.53 2kb3 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 h PRO 55 N 6.73 0.02 -0.83 1.61 0.13 -1.92 -2.61 132.00 135.12 2kb3 h PRO 55 Ca 0.00 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2kb3 h PRO 55 Cb 0.00 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.08 2kb3 h PRO 55 CO 0.00 0.01 0.09 0.09 -0.23 0.00 0.00 178.00 177.96 2kb3 n ASN 56 N -5.09 3.50 -4.69 1.44 3.02 -1.26 -4.95 115.26 107.23 2kb3 n ASN 56 Ca -0.06 -2.59 -0.45 0.00 -0.03 0.00 0.00 54.58 51.45 2kb3 n ASN 56 Cb 0.04 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 38.55 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb3 n ALA 57 N 0.15 1.88 0.00 5.41 0.00 -0.99 -0.98 120.51 125.99 2kb3 n ALA 57 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2kb3 n ALA 57 Cb 0.85 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 3.75 3.24 3.91 0.00 0.00 0.11 -4.96 105.19 111.23 2kb3 n GLY 58 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.86 3.52 -0.04 4.61 0.00 -0.15 -4.86 121.76 121.98 2kb3 s ALA 59 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 2kb3 s ALA 59 Cb 0.00 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.71 2kb3 s ALA 59 CO 0.00 -0.00 0.10 -0.98 0.00 0.00 0.00 175.76 174.88 2kb3 s ARG 60 N -4.04 0.12 -0.09 0.00 3.03 -1.26 -0.73 118.95 115.98 2kb3 s ARG 60 Ca 0.46 0.15 0.02 0.00 2.03 0.00 0.00 55.73 58.39 2kb3 s ARG 60 Cb -0.10 0.05 -0.02 0.00 -1.03 0.00 0.00 34.95 33.85 2kb3 s ARG 60 CO 0.35 -0.02 -0.16 -0.06 -1.13 0.00 0.00 175.30 174.28 2kb3 s PHE 61 N 0.11 2.70 0.12 5.89 0.40 -0.51 -4.93 117.98 121.76 2kb3 s PHE 61 Ca -0.00 -0.52 -0.15 0.00 -0.60 0.00 0.00 56.93 55.66 2kb3 s PHE 61 Cb -0.01 -1.73 -0.07 0.00 0.51 0.00 0.00 43.02 41.72 2kb3 s PHE 61 CO -0.00 -0.10 0.52 -0.48 0.70 0.00 0.00 175.22 175.87 2kb3 s LEU 62 N -0.08 4.38 -0.32 -0.37 2.34 -1.26 -1.19 118.68 122.18 2kb3 s LEU 62 Ca -0.03 1.07 -0.05 0.00 0.06 0.00 0.00 54.13 55.18 2kb3 s LEU 62 Cb -0.14 -3.12 0.04 0.00 -0.56 0.00 0.00 46.19 42.41 2kb3 s LEU 62 CO 0.04 0.16 0.06 -0.76 -1.06 0.00 0.00 176.35 174.78 2kb3 s LEU 63 N -1.75 4.08 -0.38 1.48 2.01 0.71 -4.89 118.68 119.94 2kb3 s LEU 63 Ca 0.35 -1.13 0.12 0.00 0.01 0.00 0.00 54.13 53.47 2kb3 s LEU 63 Cb -0.16 -1.81 0.35 0.00 0.01 0.00 0.00 46.19 44.59 2kb3 s LEU 63 CO 0.18 -0.28 0.76 -0.67 1.01 0.00 0.00 176.35 177.35 2kb3 n ASP 64 N 4.75 1.16 -3.80 2.29 2.03 -1.26 -4.16 116.55 117.56 2kb3 n ASP 64 Ca -0.13 -3.05 -0.13 0.00 0.52 0.00 0.00 54.79 52.00 2kb3 n ASP 64 Cb 0.45 -0.61 -0.12 0.00 -0.72 0.00 0.00 41.12 40.12 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 -2.54 0.29 0.59 -0.67 -2.07 -1.26 -4.96 119.66 109.04 2kb3 s GLN 65 Ca 0.40 0.26 0.36 0.00 -1.82 0.00 0.00 55.36 54.56 2kb3 s GLN 65 Cb 0.35 0.14 1.87 0.00 -1.09 0.00 0.00 33.01 34.28 2kb3 s GLN 65 CO -0.08 -0.04 2.20 -1.00 -1.32 0.00 0.00 175.29 175.05 2kb3 h PRO 66 N 5.64 0.00 -2.76 9.60 0.13 -1.82 -3.33 132.00 139.46 2kb3 h PRO 66 Ca -0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 2kb3 h PRO 66 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 2kb3 h PRO 66 CO 0.37 0.04 -0.46 0.99 -0.23 0.00 0.00 178.00 178.71 2kb3 s THR 67 N -4.14 -0.40 -0.27 1.56 2.01 -1.26 -1.91 115.64 111.23 2kb3 s THR 67 Ca -0.03 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 2kb3 s THR 67 Cb 0.13 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 72.15 2kb3 s THR 67 CO 0.50 0.09 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.63 2kb3 s THR 68 N 2.23 3.20 -0.03 -0.82 2.01 0.74 -4.89 115.64 118.08 2kb3 s THR 68 Ca -0.02 -1.02 -0.14 0.00 0.31 0.00 0.00 61.69 60.82 2kb3 s THR 68 Cb -0.11 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 2kb3 s THR 68 CO -0.10 0.09 0.37 -0.89 -0.69 0.00 0.00 174.62 173.41 2kb3 s THR 69 N 1.36 5.11 -0.07 -0.82 2.01 -1.26 0.12 115.64 122.09 2kb3 s THR 69 Ca -0.00 0.76 0.05 0.00 0.31 0.00 0.00 61.69 62.80 2kb3 s THR 69 Cb -0.17 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2kb3 s THR 69 CO -0.02 0.55 -0.23 0.00 -0.69 0.00 0.00 174.62 174.23 2kb3 s ALA 70 N -0.83 2.24 0.00 7.40 0.00 0.67 -2.32 121.76 128.92 2kb3 s ALA 70 Ca 0.22 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2kb3 s ALA 70 Cb -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2kb3 s ALA 70 CO 0.11 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2kb3 n GLY 71 N 3.00 -0.30 3.44 0.00 0.00 -1.13 -2.12 105.19 108.07 2kb3 n GLY 71 Ca -0.18 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.58 0.00 1.61 1.70 -1.25 -0.49 118.95 122.10 2kb3 s ARG 72 Ca 0.00 -1.40 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 2kb3 s ARG 72 Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 2kb3 s ARG 72 CO 0.00 0.43 0.00 0.72 -1.08 0.00 0.00 175.30 175.37 2kb3 n HIS 73 N 0.50 0.00 0.68 5.89 8.25 -1.26 -4.33 115.22 124.94 2kb3 n HIS 73 Ca -0.14 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2kb3 n HIS 73 Cb 0.55 -0.21 0.36 0.00 1.12 0.00 0.00 29.99 31.81 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kb3 n PRO 74 N 0.28 0.20 0.17 -0.41 -0.02 -1.26 -1.48 135.00 132.49 2kb3 n PRO 74 Ca 0.00 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 2kb3 n PRO 74 Cb 0.00 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.24 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kb3 h GLU 75 N 0.00 0.00 -5.94 -0.52 5.08 -1.94 -3.41 114.58 107.85 2kb3 h GLU 75 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 2kb3 h GLU 75 Cb 0.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 2kb3 h GLU 75 CO 0.00 0.43 0.48 -1.12 -1.00 0.00 0.00 179.01 177.80 2kb3 s SER 76 N -6.47 6.96 0.37 1.42 0.01 -0.55 -4.50 113.70 110.94 2kb3 s SER 76 Ca 0.01 1.18 0.08 0.00 1.31 0.00 0.00 55.95 58.54 2kb3 s SER 76 Cb 0.10 -2.47 0.71 0.00 0.21 0.00 0.00 66.02 64.58 2kb3 s SER 76 CO 0.70 -0.47 1.88 -0.78 0.41 0.00 0.00 173.24 174.98 2kb3 h ASP 77 N 7.43 0.26 -3.61 2.44 3.58 -1.70 -3.36 116.42 121.46 2kb3 h ASP 77 Ca -0.26 -0.06 -0.67 0.00 0.42 0.00 0.00 57.03 56.46 2kb3 h ASP 77 Cb 1.11 -0.07 -0.36 0.00 1.72 0.00 0.00 39.33 41.73 2kb3 h ASP 77 CO 0.87 0.44 -0.81 -0.51 -2.88 0.00 0.00 179.24 176.35 2kb3 s ILE 78 N -4.66 2.23 0.06 2.25 1.10 -1.20 -5.06 121.20 115.93 2kb3 s ILE 78 Ca -0.06 -1.38 -0.21 0.00 -0.51 0.00 0.00 60.65 58.49 2kb3 s ILE 78 Cb 0.15 -2.19 -0.06 0.00 0.15 0.00 0.00 42.46 40.50 2kb3 s ILE 78 CO 0.74 0.15 0.62 0.12 -2.11 0.00 0.00 174.94 174.46 2kb3 s PHE 79 N 1.18 3.78 -0.02 3.50 5.36 -1.26 -2.84 117.98 127.67 2kb3 s PHE 79 Ca -0.04 1.32 0.06 0.00 -0.96 0.00 0.00 56.93 57.31 2kb3 s PHE 79 Cb -0.18 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.89 2kb3 s PHE 79 CO -0.07 0.49 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.46 2kb3 s LEU 80 N -0.78 2.02 -0.07 6.12 1.43 0.35 -4.73 118.68 123.02 2kb3 s LEU 80 Ca 0.31 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2kb3 s LEU 80 Cb -0.20 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 44.95 2kb3 s LEU 80 CO 0.20 0.24 -0.09 -0.62 0.23 0.00 0.00 176.35 176.31 2kb3 s ASP 81 N -0.37 1.60 0.00 2.29 2.15 -1.26 -4.59 116.67 116.49 2kb3 s ASP 81 Ca 0.05 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2kb3 s ASP 81 Cb -0.09 -0.70 0.00 0.00 -0.30 0.00 0.00 42.92 41.83 2kb3 s ASP 81 CO 0.00 -0.03 0.00 -0.67 -0.17 0.00 0.00 175.17 174.30 2kb3 n ASP 82 N 4.15 0.00 -0.12 -0.34 2.03 -1.26 -4.57 116.55 116.44 2kb3 n ASP 82 Ca -0.21 -0.14 -0.01 0.00 0.52 0.00 0.00 54.79 54.95 2kb3 n ASP 82 Cb 0.51 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.15 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2kb3 h VAL 83 N 0.14 1.20 -2.75 5.18 2.07 -2.00 -3.40 116.25 116.69 2kb3 h VAL 83 Ca 0.00 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 2kb3 h VAL 83 Cb 0.00 0.56 -0.29 0.00 -1.52 0.00 0.00 31.29 30.05 2kb3 h VAL 83 CO 0.00 0.25 -0.41 -0.89 0.02 0.00 0.00 177.57 176.55 2kb3 s THR 84 N -5.35 -0.24 -0.14 2.57 2.01 -1.26 -5.15 115.64 108.09 2kb3 s THR 84 Ca -0.10 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 2kb3 s THR 84 Cb 0.16 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2kb3 s THR 84 CO 0.79 0.07 0.05 -0.69 -0.69 0.00 0.00 174.62 174.14 2kb3 s VAL 85 N 1.84 4.68 0.64 3.82 1.01 -1.26 -5.01 120.40 126.11 2kb3 s VAL 85 Ca -0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2kb3 s VAL 85 Cb -0.10 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2kb3 s VAL 85 CO -0.11 0.54 1.04 -0.55 0.00 0.00 0.00 175.10 176.02 2kb3 s SER 86 N -0.32 5.99 0.17 3.32 0.15 -1.26 -4.96 113.70 116.79 2kb3 s SER 86 Ca 0.08 1.48 -0.15 0.00 0.70 0.00 0.00 55.95 58.07 2kb3 s SER 86 Cb -0.12 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.80 2kb3 s SER 86 CO 0.02 -1.03 1.78 0.08 1.20 0.00 0.00 173.24 175.29 2kb3 h ARG 87 N -0.40 0.42 -2.40 5.44 0.11 -1.94 -3.32 114.38 112.30 2kb3 h ARG 87 Ca -0.44 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.33 2kb3 h ARG 87 Cb 1.20 -0.10 -0.35 0.00 1.11 0.00 0.00 29.97 31.83 2kb3 h ARG 87 CO 0.60 0.28 -0.60 1.03 0.10 0.00 0.00 179.97 181.39 2kb3 s ARG 88 N -6.14 0.22 -0.20 0.08 0.52 -1.26 -4.20 118.95 107.97 2kb3 s ARG 88 Ca -0.13 0.25 -0.19 0.00 -0.52 0.00 0.00 55.73 55.15 2kb3 s ARG 88 Cb 0.13 -1.06 -0.15 0.00 0.52 0.00 0.00 34.95 34.38 2kb3 s ARG 88 CO 0.73 -0.66 0.11 1.58 0.02 0.00 0.00 175.30 177.07 2kb3 n HIS 89 N 5.33 0.97 -3.76 -0.53 -0.00 -0.90 -3.14 115.22 113.18 2kb3 n HIS 89 Ca -0.05 0.42 -0.11 0.00 0.46 0.00 0.00 57.72 58.44 2kb3 n HIS 89 Cb 0.50 -1.03 -0.07 0.00 -0.12 0.00 0.00 29.99 29.27 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb3 s ALA 90 N -2.45 -0.61 -0.03 1.57 0.00 -1.09 -0.89 121.76 118.26 2kb3 s ALA 90 Ca -0.26 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.60 2kb3 s ALA 90 Cb 0.05 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.56 2kb3 s ALA 90 CO 0.51 -0.44 -0.05 -1.83 0.00 0.00 0.00 175.76 173.94 2kb3 s GLU 91 N -2.85 0.70 -0.34 0.00 -1.05 -0.30 -0.24 118.70 114.62 2kb3 s GLU 91 Ca -0.03 -0.16 -0.10 0.00 -0.15 0.00 0.00 54.97 54.53 2kb3 s GLU 91 Cb 0.00 -0.70 0.01 0.00 -0.44 0.00 0.00 34.13 33.01 2kb3 s GLU 91 CO -0.05 0.02 0.17 -0.06 0.95 0.00 0.00 175.26 176.29 2kb3 s PHE 92 N 0.44 3.21 -0.11 4.83 0.08 0.12 -1.40 117.98 125.15 2kb3 s PHE 92 Ca -0.06 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.16 2kb3 s PHE 92 Cb -0.09 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 2kb3 s PHE 92 CO 0.00 -0.56 -0.03 1.03 -0.10 0.00 0.00 175.22 175.56 2kb3 s ARG 93 N 1.57 3.21 -0.36 0.44 0.52 0.81 -0.18 118.95 124.95 2kb3 s ARG 93 Ca 0.03 -0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 2kb3 s ARG 93 Cb -0.18 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 32.50 2kb3 s ARG 93 CO 0.06 0.51 0.21 0.42 0.02 0.00 0.00 175.30 176.52 2kb3 s ILE 94 N -0.37 4.71 -0.15 1.52 1.09 -0.80 -0.38 121.20 126.82 2kb3 s ILE 94 Ca 0.06 -0.70 -0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2kb3 s ILE 94 Cb -0.12 -3.57 0.04 0.00 -1.06 0.00 0.00 42.46 37.75 2kb3 s ILE 94 CO 0.02 -0.17 -0.06 0.21 -0.10 0.00 0.00 174.94 174.85 2kb3 s ASN 95 N 1.59 2.66 -1.45 3.58 2.47 0.91 -4.22 114.94 120.48 2kb3 s ASN 95 Ca 0.03 -0.57 -0.12 0.00 0.42 0.00 0.00 52.86 52.63 2kb3 s ASN 95 Cb -0.19 -0.90 0.09 0.00 -1.45 0.00 0.00 41.25 38.80 2kb3 s ASN 95 CO 0.07 -0.17 0.70 -0.62 -3.72 0.00 0.00 177.10 173.37 2kb3 n GLU 96 N 4.89 -4.14 -0.55 0.43 -0.58 -1.26 -0.26 120.64 119.17 2kb3 n GLU 96 Ca -0.12 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 2kb3 n GLU 96 Cb 0.48 -5.32 0.00 0.00 -0.57 0.00 0.00 31.44 26.04 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kb3 n GLY 97 N -1.39 1.08 3.84 0.62 0.00 -1.26 -5.04 105.19 103.04 2kb3 n GLY 97 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 3.23 -0.28 1.61 2.02 0.64 -4.95 118.70 120.66 2kb3 s GLU 98 Ca 0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.49 2kb3 s GLU 98 Cb 0.00 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 2kb3 s GLU 98 CO 0.00 0.66 0.12 -0.06 0.02 0.00 0.00 175.26 176.00 2kb3 s PHE 99 N -1.25 3.14 -0.06 1.61 0.08 -1.26 -0.07 117.98 120.18 2kb3 s PHE 99 Ca 0.25 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.88 2kb3 s PHE 99 Cb -0.12 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2kb3 s PHE 99 CO 0.16 -0.38 -0.11 -1.83 -0.10 0.00 0.00 175.22 172.95 2kb3 s GLU 100 N 1.63 1.55 -0.24 0.44 -1.05 0.49 -0.27 118.70 121.25 2kb3 s GLU 100 Ca 0.06 -0.38 -0.09 0.00 -0.15 0.00 0.00 54.97 54.41 2kb3 s GLU 100 Cb -0.16 -1.31 -0.04 0.00 -0.44 0.00 0.00 34.13 32.18 2kb3 s GLU 100 CO 0.06 0.03 0.11 0.08 0.95 0.00 0.00 175.26 176.49 2kb3 s VAL 101 N 0.62 4.76 -0.08 1.83 1.01 0.85 -0.13 120.40 129.25 2kb3 s VAL 101 Ca -0.13 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2kb3 s VAL 101 Cb -0.15 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2kb3 s VAL 101 CO 0.03 0.34 -0.24 0.68 0.00 0.00 0.00 175.10 175.91 2kb3 s VAL 102 N 1.33 2.01 0.11 2.92 -7.23 -0.49 -0.79 120.40 118.25 2kb3 s VAL 102 Ca 0.06 -1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 2kb3 s VAL 102 Cb -0.15 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 2kb3 s VAL 102 CO 0.05 0.55 0.95 -0.62 -0.31 0.00 0.00 175.10 175.72 2kb3 s ASP 103 N 0.10 7.48 -0.02 4.85 -1.08 0.79 -1.16 116.67 127.64 2kb3 s ASP 103 Ca -0.11 1.78 0.03 0.00 -0.52 0.00 0.00 52.55 53.73 2kb3 s ASP 103 Cb -0.16 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 38.77 2kb3 s ASP 103 CO 0.06 -0.06 0.86 1.33 0.52 0.00 0.00 175.17 177.89 2kb3 n VAL 104 N 2.78 0.65 -2.69 1.11 0.24 -0.07 -4.89 118.33 115.47 2kb3 n VAL 104 Ca 0.02 -0.72 -0.04 0.00 -2.04 0.00 0.00 64.34 61.55 2kb3 n VAL 104 Cb 0.49 0.53 0.05 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.41 -1.40 3.46 7.63 0.00 -0.69 -4.75 105.19 109.03 2kb3 n GLY 105 Ca 0.03 0.96 -0.32 0.00 0.00 0.00 0.00 46.02 46.69 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 2.09 1.93 -0.05 1.61 7.64 -1.26 -4.42 113.62 121.16 2kb3 n SER 106 Ca 0.08 -2.58 -0.19 0.00 1.01 0.00 0.00 58.87 57.18 2kb3 n SER 106 Cb 0.66 -1.29 -0.13 0.00 -1.01 0.00 0.00 64.21 62.44 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 18.41 0.13 0.00 -3.43 5.85 -1.94 -3.39 115.31 130.94 2kb3 h LEU 107 Ca 0.21 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2kb3 h LEU 107 Cb 0.84 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2kb3 h LEU 107 CO 1.53 1.35 -1.71 -3.20 -0.34 0.00 0.00 178.44 176.07 2kb3 n ASN 108 N -4.34 1.47 -2.07 1.25 4.05 -1.26 -3.88 115.26 110.47 2kb3 n ASN 108 Ca -0.21 -0.00 -0.03 0.00 0.45 0.00 0.00 54.58 54.79 2kb3 n ASN 108 Cb 0.68 1.71 -0.02 0.00 1.23 0.00 0.00 39.78 43.37 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kb3 n GLY 109 N 1.62 -4.15 3.73 8.20 0.00 -1.26 -4.91 105.19 108.43 2kb3 n GLY 109 Ca -0.03 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.38 2.02 -0.22 2.61 2.01 -1.26 -4.65 115.64 115.77 2kb3 s THR 110 Ca -0.14 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2kb3 s THR 110 Cb 0.01 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 2kb3 s THR 110 CO 0.42 0.00 0.11 -0.31 -0.69 0.00 0.00 174.62 174.15 2kb3 s TYR 111 N 0.62 3.28 -0.02 4.92 1.51 -0.99 -0.88 117.35 125.79 2kb3 s TYR 111 Ca 0.69 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.90 2kb3 s TYR 111 Cb -0.49 -2.19 -0.00 0.00 -0.11 0.00 0.00 41.96 39.17 2kb3 s TYR 111 CO 0.40 0.08 -0.09 0.08 -1.11 0.00 0.00 175.55 174.90 2kb3 s VAL 112 N 0.81 0.76 -1.45 0.71 1.01 0.59 -0.60 120.40 122.23 2kb3 s VAL 112 Ca 0.06 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2kb3 s VAL 112 Cb -0.13 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.62 2kb3 s VAL 112 CO 0.02 0.23 0.91 0.59 0.00 0.00 0.00 175.10 176.85 2kb3 n ASN 113 N 3.07 -5.77 -2.09 3.32 5.03 -0.89 -2.18 115.26 115.75 2kb3 n ASN 113 Ca -0.16 -0.50 -0.20 0.00 0.87 0.00 0.00 54.58 54.59 2kb3 n ASN 113 Cb 0.55 -4.60 -0.04 0.00 -1.02 0.00 0.00 39.78 34.67 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kb3 n ARG 114 N -4.54 -1.61 -4.04 3.52 1.74 -1.09 -4.94 116.66 105.69 2kb3 n ARG 114 Ca -0.02 1.07 -0.10 0.00 -0.77 0.00 0.00 57.85 58.03 2kb3 n ARG 114 Cb 0.57 -5.63 -0.11 0.00 -1.02 0.00 0.00 32.46 26.28 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 -4.54 0.47 0.20 5.56 2.02 -0.92 -4.90 118.70 116.58 2kb3 s GLU 115 Ca 0.00 -0.83 -0.32 0.00 0.02 0.00 0.00 54.97 53.84 2kb3 s GLU 115 Cb 0.00 0.02 -0.12 0.00 0.10 0.00 0.00 34.13 34.13 2kb3 s GLU 115 CO 0.00 -0.04 1.73 -2.30 0.02 0.00 0.00 175.26 174.67 2kb3 n PRO 116 N 1.11 2.75 -4.14 0.39 -0.02 -1.26 -0.30 135.00 133.53 2kb3 n PRO 116 Ca -0.21 0.99 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 2kb3 n PRO 116 Cb 0.57 -2.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 2kb3 n PRO 116 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kb3 s ARG 117 N 1.31 0.95 0.00 -0.52 6.06 -0.06 -4.83 118.95 121.85 2kb3 s ARG 117 Ca 0.76 -1.43 0.00 0.00 -2.50 0.00 0.00 55.73 52.56 2kb3 s ARG 117 Cb -0.51 0.25 0.00 0.00 0.06 0.00 0.00 34.95 34.75 2kb3 s ARG 117 CO 0.33 -0.27 0.00 0.09 -2.50 0.00 0.00 175.30 172.95 2kb3 n ASN 118 N -0.11 2.22 -3.77 -2.12 4.13 -1.26 -4.04 115.26 110.31 2kb3 n ASN 118 Ca -0.05 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.08 2kb3 n ASN 118 Cb 0.64 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.75 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 -1.71 -0.46 -0.19 5.41 0.00 -1.26 -0.15 121.76 123.41 2kb3 s ALA 119 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 2kb3 s ALA 119 Cb 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.74 2kb3 s ALA 119 CO 0.00 -0.13 0.47 -1.14 0.00 0.00 0.00 175.76 174.95 2kb3 s GLN 120 N 0.63 0.49 -0.34 0.00 2.00 0.03 -4.99 119.66 117.48 2kb3 s GLN 120 Ca -0.04 0.79 -0.28 0.00 -2.00 0.00 0.00 55.36 53.83 2kb3 s GLN 120 Cb -0.06 0.10 0.02 0.00 0.80 0.00 0.00 33.01 33.87 2kb3 s GLN 120 CO -0.03 -0.12 1.02 0.08 -0.50 0.00 0.00 175.29 175.73 2kb3 s VAL 121 N 1.01 4.53 0.23 1.34 1.01 -1.26 -0.11 120.40 127.16 2kb3 s VAL 121 Ca -0.06 1.53 -0.10 0.00 0.00 0.00 0.00 61.98 63.34 2kb3 s VAL 121 Cb -0.06 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 2kb3 s VAL 121 CO -0.09 -0.51 0.56 0.00 0.00 0.00 0.00 175.10 175.07 2kb3 s MET 122 N 3.60 3.82 0.22 2.72 0.23 0.63 -4.98 119.30 125.54 2kb3 s MET 122 Ca 0.43 0.31 0.07 0.00 -1.03 0.00 0.00 55.69 55.46 2kb3 s MET 122 Cb -0.12 -2.64 -0.04 0.00 -1.53 0.00 0.00 34.83 30.50 2kb3 s MET 122 CO 0.17 0.31 0.12 -0.65 -2.03 0.00 0.00 175.02 172.94 2kb3 s GLN 123 N -2.81 2.75 0.12 3.16 -0.21 -1.26 -4.63 119.66 116.78 2kb3 s GLN 123 Ca 0.48 -1.06 -0.31 0.00 0.02 0.00 0.00 55.36 54.48 2kb3 s GLN 123 Cb -0.11 -2.50 -0.07 0.00 1.00 0.00 0.00 33.01 31.33 2kb3 s GLN 123 CO 0.21 0.43 1.32 -0.08 -2.12 0.00 0.00 175.29 175.04 2kb3 s THR 124 N -2.00 3.49 0.00 -0.19 -1.32 -1.08 -1.93 115.64 112.62 2kb3 s THR 124 Ca 0.31 1.10 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 2kb3 s THR 124 Cb -0.08 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 2kb3 s THR 124 CO 0.23 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.35 2kb3 n GLY 125 N 3.21 0.57 3.77 6.08 0.00 0.14 -3.93 105.19 115.03 2kb3 n GLY 125 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.83 6.37 -0.12 1.61 -1.08 -0.81 -4.81 116.67 115.00 2kb3 s ASP 126 Ca 0.00 2.38 0.02 0.00 -0.52 0.00 0.00 52.55 54.43 2kb3 s ASP 126 Cb 0.00 -2.61 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 2kb3 s ASP 126 CO 0.00 -0.78 -0.19 -1.61 0.52 0.00 0.00 175.17 173.11 2kb3 s GLU 127 N -2.42 2.62 -0.28 4.34 2.02 -1.26 -0.67 118.70 123.05 2kb3 s GLU 127 Ca 0.59 -0.71 -0.05 0.00 0.02 0.00 0.00 54.97 54.81 2kb3 s GLU 127 Cb -0.31 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.80 2kb3 s GLU 127 CO 0.39 0.00 0.04 0.42 0.02 0.00 0.00 175.26 176.13 2kb3 s ILE 128 N 0.79 3.68 -0.22 -1.63 1.01 0.64 -2.09 121.20 123.38 2kb3 s ILE 128 Ca -0.09 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2kb3 s ILE 128 Cb -0.16 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 2kb3 s ILE 128 CO 0.00 0.15 0.07 -1.58 0.00 0.00 0.00 174.94 173.58 2kb3 s GLN 129 N 1.46 3.77 -0.05 2.79 0.74 0.23 0.03 119.66 128.63 2kb3 s GLN 129 Ca 0.02 -0.43 0.01 0.00 0.05 0.00 0.00 55.36 55.01 2kb3 s GLN 129 Cb -0.17 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.68 2kb3 s GLN 129 CO 0.00 -0.02 -0.05 0.42 -0.55 0.00 0.00 175.29 175.09 2kb3 s ILE 130 N 1.17 0.60 0.00 -2.34 1.01 0.79 -2.36 121.20 120.08 2kb3 s ILE 130 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2kb3 s ILE 130 Cb -0.14 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2kb3 s ILE 130 CO 0.03 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2kb3 n GLY 131 N 4.07 2.16 0.22 6.18 0.00 -1.26 -1.85 105.19 114.70 2kb3 n GLY 131 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.40 1.61 2.85 -1.26 -4.76 118.16 112.20 2kb3 n LYS 132 Ca 0.00 -0.15 -0.20 0.00 -1.05 0.00 0.00 58.31 56.92 2kb3 n LYS 132 Cb 0.00 -0.10 -0.10 0.00 -0.65 0.00 0.00 35.03 34.17 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 1.80 0.03 5.58 -0.12 -0.77 -5.00 117.98 119.50 2kb3 s PHE 133 Ca 0.00 -1.05 0.01 0.00 -0.05 0.00 0.00 56.93 55.84 2kb3 s PHE 133 Cb 0.00 -1.13 -0.02 0.00 -0.63 0.00 0.00 43.02 41.24 2kb3 s PHE 133 CO 0.00 -0.13 -0.06 -0.98 -0.05 0.00 0.00 175.22 174.00 2kb3 s ARG 134 N -3.95 0.43 -0.15 1.99 1.70 -1.26 -0.15 118.95 117.57 2kb3 s ARG 134 Ca 0.37 -0.70 -0.07 0.00 -0.47 0.00 0.00 55.73 54.86 2kb3 s ARG 134 Cb 0.08 -0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 2kb3 s ARG 134 CO 0.15 0.01 0.08 -0.51 -1.08 0.00 0.00 175.30 173.94 2kb3 s LEU 135 N -1.54 3.98 -0.19 -1.89 1.43 0.10 -1.48 118.68 119.10 2kb3 s LEU 135 Ca -0.12 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2kb3 s LEU 135 Cb -0.10 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2kb3 s LEU 135 CO -0.00 0.28 -0.06 -0.69 0.23 0.00 0.00 176.35 176.10 2kb3 s VAL 136 N -0.25 3.38 -0.22 -1.59 1.01 0.75 -0.26 120.40 123.22 2kb3 s VAL 136 Ca 0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2kb3 s VAL 136 Cb -0.12 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2kb3 s VAL 136 CO 0.01 0.46 0.20 0.12 0.00 0.00 0.00 175.10 175.89 2kb3 s PHE 137 N 1.02 3.35 0.04 5.22 5.36 0.15 -0.03 117.98 133.08 2kb3 s PHE 137 Ca 0.00 0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.33 2kb3 s PHE 137 Cb -0.15 -2.30 -0.02 0.00 -0.34 0.00 0.00 43.02 40.22 2kb3 s PHE 137 CO -0.00 0.10 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.25 2kb3 s LEU 138 N 0.95 2.20 -0.20 6.12 2.01 0.12 0.26 118.68 130.14 2kb3 s LEU 138 Ca 0.10 -0.47 -0.29 0.00 0.01 0.00 0.00 54.13 53.48 2kb3 s LEU 138 Cb -0.13 -0.34 -0.01 0.00 0.01 0.00 0.00 46.19 45.72 2kb3 s LEU 138 CO 0.04 -0.09 1.26 0.00 1.01 0.00 0.00 176.35 178.58 2kb3 s ALA 139 N -1.05 3.59 0.00 4.21 0.00 -1.26 -0.49 121.76 126.75 2kb3 s ALA 139 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2kb3 s ALA 139 Cb -0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2kb3 s ALA 139 CO 0.01 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2kb3 n GLY 140 N 3.79 0.30 3.77 0.00 0.00 -1.19 -4.89 105.19 106.96 2kb3 n GLY 140 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2kb3 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb3 s PRO 141 N 0.00 4.21 -0.18 1.61 0.04 -1.26 -4.90 135.00 134.53 2kb3 s PRO 141 Ca 0.00 1.94 0.23 0.00 0.04 0.00 0.00 61.00 63.21 2kb3 s PRO 141 Cb 0.00 -2.86 0.47 0.00 0.04 0.00 0.00 34.50 32.15 2kb3 s PRO 141 CO 0.00 -0.22 1.15 0.00 0.04 0.00 0.00 177.00 177.97 2kb3 n ALA 142 N 0.43 2.56 1.10 8.56 0.00 -1.26 -3.24 120.51 128.65 2kb3 n ALA 142 Ca 0.02 -2.49 0.09 0.00 0.00 0.00 0.00 53.44 51.06 2kb3 n ALA 142 Cb 0.45 -0.82 0.52 0.00 0.00 0.00 0.00 19.45 19.60 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59