#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 7.45 -0.65 3.17 1.04 -1.26 -4.97 113.70 118.48 2kb3 s SER 2 Ca 0.00 1.86 -0.23 0.00 0.48 0.00 0.00 55.95 58.07 2kb3 s SER 2 Cb 0.00 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.60 2kb3 s SER 2 CO 0.00 -0.09 0.96 -0.62 0.98 0.00 0.00 173.24 174.47 2kb3 s ASP 3 N -0.05 6.18 -0.37 7.02 2.15 -1.26 -4.98 116.67 125.36 2kb3 s ASP 3 Ca 0.47 -0.95 -0.21 0.00 0.43 0.00 0.00 52.55 52.28 2kb3 s ASP 3 Cb -0.25 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 2kb3 s ASP 3 CO 0.31 -1.43 0.69 0.20 -0.17 0.00 0.00 175.17 174.77 2kb3 s ASN 4 N 3.64 6.46 0.00 -0.34 0.01 -1.26 -4.88 114.94 118.57 2kb3 s ASN 4 Ca 0.23 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 2kb3 s ASN 4 Cb -0.17 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2kb3 s ASN 4 CO 0.11 -0.67 0.00 -0.46 -1.51 0.00 0.00 177.10 174.57 2kb3 n ASN 5 N 6.22 0.00 0.00 -1.22 0.23 -1.26 -5.20 115.26 114.03 2kb3 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2kb3 n ASN 5 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2kb3 n ASN 5 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kb3 n GLY 6 N 0.00 -0.54 3.21 4.83 0.00 -1.26 -5.08 105.19 106.35 2kb3 n GLY 6 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb3 s THR 7 N -3.20 3.38 0.17 2.61 -1.32 -1.26 -5.08 115.64 110.93 2kb3 s THR 7 Ca 0.00 -1.34 -0.31 0.00 -1.21 0.00 0.00 61.69 58.83 2kb3 s THR 7 Cb 0.00 -2.96 -0.09 0.00 -1.51 0.00 0.00 72.50 67.93 2kb3 s THR 7 CO 0.00 -0.20 1.46 -2.16 -2.21 0.00 0.00 174.62 171.51 2kb3 s PRO 8 N 1.31 4.27 -0.34 7.08 0.04 -1.26 -4.97 135.00 141.14 2kb3 s PRO 8 Ca -0.02 2.23 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 2kb3 s PRO 8 Cb -0.20 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2kb3 s PRO 8 CO 0.00 -0.48 0.76 -1.21 0.04 0.00 0.00 177.00 176.11 2kb3 s GLU 9 N 0.74 3.82 0.00 4.56 2.02 -1.26 -5.02 118.70 123.56 2kb3 s GLU 9 Ca 0.65 0.37 0.00 0.00 0.02 0.00 0.00 54.97 56.01 2kb3 s GLU 9 Cb -0.40 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.05 2kb3 s GLU 9 CO 0.34 -0.76 0.00 -0.35 0.02 0.00 0.00 175.26 174.50 2kb3 n PRO 10 N 6.27 1.90 -3.42 0.39 -0.04 -1.26 -5.07 135.00 133.76 2kb3 n PRO 10 Ca 0.02 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.11 2kb3 n PRO 10 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 2kb3 n PRO 10 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2kb3 s GLN 11 N 0.99 4.13 -0.23 0.54 2.00 -1.26 -5.06 119.66 120.78 2kb3 s GLN 11 Ca 0.00 0.40 -0.05 0.00 -2.00 0.00 0.00 55.36 53.71 2kb3 s GLN 11 Cb 0.00 -3.33 -0.02 0.00 0.80 0.00 0.00 33.01 30.46 2kb3 s GLN 11 CO 0.00 0.43 0.01 0.08 -0.50 0.00 0.00 175.29 175.31 2kb3 s VAL 12 N -0.23 3.83 -0.00 1.34 1.01 -1.26 -4.90 120.40 120.19 2kb3 s VAL 12 Ca 0.24 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2kb3 s VAL 12 Cb -0.16 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 2kb3 s VAL 12 CO 0.11 0.39 -0.15 -1.61 0.00 0.00 0.00 175.10 173.85 2kb3 s GLU 13 N 1.45 1.16 0.00 2.72 2.02 -1.26 -5.02 118.70 119.76 2kb3 s GLU 13 Ca 0.05 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2kb3 s GLU 13 Cb -0.15 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 32.95 2kb3 s GLU 13 CO 0.00 0.31 0.00 2.41 0.02 0.00 0.00 175.26 178.00 2kb3 n THR 14 N 2.58 0.00 0.00 3.63 -1.04 -1.26 -3.28 114.28 114.91 2kb3 n THR 14 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2kb3 n THR 14 Cb 0.55 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2kb3 n SER 16 N 0.00 0.00 -4.62 8.00 2.88 -1.26 -4.09 113.62 114.53 2kb3 n SER 16 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2kb3 n SER 16 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2kb3 n SER 16 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kb3 s VAL 17 N -2.00 4.45 -0.02 2.46 1.01 -1.26 -4.05 120.40 121.00 2kb3 s VAL 17 Ca 0.00 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.48 2kb3 s VAL 17 Cb 0.00 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2kb3 s VAL 17 CO 0.00 -0.64 -0.24 0.72 0.00 0.00 0.00 175.10 174.94 2kb3 s PHE 18 N 3.81 2.40 -0.01 5.22 -0.12 -1.08 -5.01 117.98 123.18 2kb3 s PHE 18 Ca 0.44 -0.38 0.03 0.00 -0.05 0.00 0.00 56.93 56.96 2kb3 s PHE 18 Cb -0.11 -1.52 -0.00 0.00 -0.63 0.00 0.00 43.02 40.76 2kb3 s PHE 18 CO 0.21 0.01 -0.09 -0.98 -0.05 0.00 0.00 175.22 174.32 2kb3 s ARG 19 N -0.67 0.81 0.26 1.99 1.70 -1.26 -4.77 118.95 117.02 2kb3 s ARG 19 Ca 0.10 -0.32 0.02 0.00 -0.47 0.00 0.00 55.73 55.06 2kb3 s ARG 19 Cb -0.10 -0.77 -0.04 0.00 -0.57 0.00 0.00 34.95 33.47 2kb3 s ARG 19 CO -0.01 0.17 0.15 0.00 -1.08 0.00 0.00 175.30 174.54 2kb3 s ALA 20 N -0.08 1.65 -1.69 7.88 0.00 -1.26 -5.02 121.76 123.24 2kb3 s ALA 20 Ca 0.01 -1.79 0.21 0.00 0.00 0.00 0.00 51.96 50.39 2kb3 s ALA 20 Cb -0.05 1.25 1.18 0.00 0.00 0.00 0.00 23.12 25.49 2kb3 s ALA 20 CO -0.00 -0.54 1.68 -3.47 0.00 0.00 0.00 175.76 173.42 2kb3 n ASP 21 N -0.70 0.00 0.22 0.00 2.03 -1.26 -3.61 116.55 113.23 2kb3 n ASP 21 Ca 0.02 -0.32 0.17 0.00 0.52 0.00 0.00 54.79 55.17 2kb3 n ASP 21 Cb 0.65 -0.16 0.83 0.00 -0.72 0.00 0.00 41.12 41.73 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kb3 h LEU 22 N 0.00 0.00 -1.44 -2.67 8.10 -1.95 -0.38 115.31 116.97 2kb3 h LEU 22 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2kb3 h LEU 22 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2kb3 h LEU 22 CO 0.00 0.00 -0.28 -0.07 -4.11 0.00 0.00 178.44 173.98 2kb3 h LEU 23 N 0.00 0.00 -0.29 0.17 3.38 -1.98 0.80 115.31 117.39 2kb3 h LEU 23 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2kb3 h LEU 23 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2kb3 h LEU 23 CO -0.00 0.28 -0.06 0.50 0.09 0.00 0.00 178.44 179.25 2kb3 h LYS 24 N 0.00 0.55 0.00 1.13 3.64 -1.36 -2.61 116.57 117.93 2kb3 h LYS 24 Ca -0.00 -0.21 -0.19 0.00 -1.27 0.00 0.00 60.65 58.98 2kb3 h LYS 24 Cb 0.55 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2kb3 h LYS 24 CO 0.04 0.74 -0.86 1.49 -2.27 0.00 0.00 179.45 178.59 2kb3 h GLU 25 N 0.31 0.13 -0.30 1.90 4.81 -1.57 -3.16 114.58 116.71 2kb3 h GLU 25 Ca 0.07 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2kb3 h GLU 25 Cb 0.53 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2kb3 h GLU 25 CO 0.03 0.91 0.21 1.98 -0.73 0.00 0.00 179.01 181.41 2kb3 h MET 26 N 0.07 0.05 -0.19 1.92 4.05 -0.63 0.20 114.93 120.39 2kb3 h MET 26 Ca -0.03 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2kb3 h MET 26 Cb 1.48 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.24 2kb3 h MET 26 CO 0.12 0.03 0.00 0.93 0.23 0.00 0.00 176.91 178.23 2kb3 h GLU 27 N 0.05 0.06 0.00 0.39 4.39 -1.43 -1.80 114.58 116.24 2kb3 h GLU 27 Ca 0.14 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2kb3 h GLU 27 Cb 0.50 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2kb3 h GLU 27 CO -0.01 0.04 0.00 0.77 -1.16 0.00 0.00 179.01 178.65 2kb3 h SER 28 N 0.07 0.00 1.46 1.42 0.02 -1.16 -2.70 113.55 112.65 2kb3 h SER 28 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2kb3 h SER 28 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kb3 h SER 28 CO -0.15 0.00 -0.25 -1.28 -1.14 0.00 0.00 176.83 174.00 2kb3 h SER 29 N 0.00 0.00 -3.49 3.07 0.87 -0.92 -3.42 113.55 109.66 2kb3 h SER 29 Ca 0.00 -0.04 -0.71 0.00 -1.23 0.00 0.00 61.79 59.81 2kb3 h SER 29 Cb 0.88 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.54 2kb3 h SER 29 CO 0.00 0.02 -0.51 -0.89 -0.53 0.00 0.00 176.83 174.92 2kb3 s THR 30 N -3.18 3.87 0.10 2.23 2.01 -0.71 -4.78 115.64 115.18 2kb3 s THR 30 Ca 0.07 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.50 2kb3 s THR 30 Cb 0.10 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2kb3 s THR 30 CO 0.67 -0.52 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2kb3 n GLY 31 N 4.81 -0.37 3.75 4.40 0.00 -1.26 -4.89 105.19 111.63 2kb3 n GLY 31 Ca -0.08 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N -2.00 4.65 0.54 2.61 2.01 -1.26 -5.10 115.64 117.08 2kb3 s THR 32 Ca 0.00 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 2kb3 s THR 32 Cb 0.00 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 2kb3 s THR 32 CO 0.00 0.49 1.03 0.00 -0.69 0.00 0.00 174.62 175.45 2kb3 s ALA 33 N -1.04 2.86 0.42 7.40 0.00 -1.26 -4.99 121.76 125.15 2kb3 s ALA 33 Ca 0.18 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 2kb3 s ALA 33 Cb -0.12 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2kb3 s ALA 33 CO 0.08 -0.49 1.36 -0.35 0.00 0.00 0.00 175.76 176.35 2kb3 n PRO 34 N -1.55 2.14 -4.33 0.00 -0.04 -1.26 -5.02 135.00 124.94 2kb3 n PRO 34 Ca 0.08 0.76 -0.21 0.00 -0.04 0.00 0.00 63.50 64.09 2kb3 n PRO 34 Cb 0.53 -2.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.33 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 s ALA 35 N -1.18 0.86 0.00 0.55 0.00 -1.26 -5.08 121.76 115.65 2kb3 s ALA 35 Ca 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2kb3 s ALA 35 Cb -0.49 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2kb3 s ALA 35 CO 0.59 0.07 0.00 0.45 0.00 0.00 0.00 175.76 176.86 2kb3 n SER 36 N 3.75 1.49 -0.78 0.00 2.88 -1.26 -5.01 113.62 114.69 2kb3 n SER 36 Ca -0.23 -0.84 0.08 0.00 -1.33 0.00 0.00 58.87 56.56 2kb3 n SER 36 Cb 0.52 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.13 2kb3 n SER 36 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2kb3 n THR 37 N 0.00 0.58 -0.69 2.46 5.66 -1.26 -4.92 114.28 116.12 2kb3 n THR 37 Ca 0.00 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 2kb3 n THR 37 Cb 0.00 0.85 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kb3 n GLY 38 N 0.91 0.81 0.19 1.09 0.00 -1.26 -4.98 105.19 101.95 2kb3 n GLY 38 Ca 0.13 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N -0.58 2.80 0.98 4.61 0.00 -1.26 -3.90 120.51 123.15 2kb3 n ALA 39 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.18 2kb3 n ALA 39 Cb 0.15 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 18.69 2kb3 n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kb3 n GLU 40 N -0.71 0.49 0.18 0.00 0.28 -1.26 -1.53 120.64 118.09 2kb3 n GLU 40 Ca 0.15 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 2kb3 n GLU 40 Cb 0.29 -1.40 0.13 0.00 1.43 0.00 0.00 31.44 31.90 2kb3 n GLU 40 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 2kb3 h ASN 41 N 0.00 0.00 -5.45 -1.84 -1.07 -2.01 -3.49 115.58 101.72 2kb3 h ASN 41 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 56.30 56.31 2kb3 h ASN 41 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2kb3 h ASN 41 CO 0.00 0.00 -0.57 0.18 0.07 0.00 0.00 177.43 177.11 2kb3 n LEU 42 N -2.91 -7.21 0.25 6.14 4.77 -0.58 -4.88 117.00 112.58 2kb3 n LEU 42 Ca 0.03 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 2kb3 n LEU 42 Cb 0.53 -3.17 -0.08 0.00 -2.33 0.00 0.00 43.42 38.37 2kb3 n LEU 42 CO 0.36 -2.01 0.52 1.55 -1.33 0.00 0.00 177.39 176.48 2kb3 h PRO 43 N 1.93 -0.78 0.00 3.23 0.13 -1.88 -2.37 132.00 132.26 2kb3 h PRO 43 Ca -0.07 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2kb3 h PRO 43 Cb 1.05 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kb3 h PRO 43 CO 0.21 -0.52 0.00 0.00 -0.23 0.00 0.00 178.00 177.46 2kb3 n ALA 44 N -2.66 2.47 -1.12 -0.56 0.00 -1.26 -4.87 120.51 112.51 2kb3 n ALA 44 Ca -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 2kb3 n ALA 44 Cb 0.36 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 0.86 0.70 3.31 0.00 0.00 -0.89 -5.00 105.19 104.17 2kb3 n GLY 45 Ca 0.18 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.82 0.06 0.04 1.61 0.01 -1.26 -4.93 113.70 106.41 2kb3 s SER 46 Ca 0.00 -0.83 -0.01 0.00 1.31 0.00 0.00 55.95 56.42 2kb3 s SER 46 Cb 0.00 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 2kb3 s SER 46 CO 0.00 -0.86 -0.03 0.00 0.41 0.00 0.00 173.24 172.76 2kb3 s ALA 47 N -3.95 0.43 0.15 1.44 0.00 -1.18 -3.35 121.76 115.30 2kb3 s ALA 47 Ca 0.15 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.15 2kb3 s ALA 47 Cb 0.04 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2kb3 s ALA 47 CO -0.02 -0.31 -0.21 -0.48 0.00 0.00 0.00 175.76 174.74 2kb3 s LEU 48 N -2.54 2.38 0.01 0.00 -0.00 0.51 0.23 118.68 119.27 2kb3 s LEU 48 Ca 0.01 -0.79 0.07 0.00 -0.00 0.00 0.00 54.13 53.42 2kb3 s LEU 48 Cb 0.03 -0.96 -0.03 0.00 -0.00 0.00 0.00 46.19 45.23 2kb3 s LEU 48 CO -0.07 0.05 -0.20 -1.48 -0.00 0.00 0.00 176.35 174.65 2kb3 s LEU 49 N -2.35 2.49 -0.04 1.48 -0.00 -0.54 -0.25 118.68 119.46 2kb3 s LEU 49 Ca 0.13 -0.41 0.02 0.00 -0.00 0.00 0.00 54.13 53.88 2kb3 s LEU 49 Cb -0.08 -1.47 0.01 0.00 -0.00 0.00 0.00 46.19 44.65 2kb3 s LEU 49 CO 0.06 0.28 -0.09 0.54 -0.00 0.00 0.00 176.35 177.15 2kb3 s VAL 50 N -0.82 0.81 -0.29 1.48 0.11 0.14 -1.55 120.40 120.29 2kb3 s VAL 50 Ca 0.13 -0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 2kb3 s VAL 50 Cb -0.10 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2kb3 s VAL 50 CO 0.03 0.27 1.16 -0.69 -3.33 0.00 0.00 175.10 172.53 2kb3 s VAL 51 N 0.43 4.40 -0.05 2.04 1.01 0.33 -0.48 120.40 128.08 2kb3 s VAL 51 Ca -0.07 1.63 0.09 0.00 0.00 0.00 0.00 61.98 63.62 2kb3 s VAL 51 Cb -0.11 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.75 2kb3 s VAL 51 CO 0.01 -0.40 0.63 0.50 0.00 0.00 0.00 175.10 175.84 2kb3 h LYS 52 N 8.35 0.05 -2.59 2.72 1.63 -0.70 0.00 116.57 126.04 2kb3 h LYS 52 Ca -0.23 -0.09 -0.10 0.00 -0.85 0.00 0.00 60.65 59.38 2kb3 h LYS 52 Cb 1.08 0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.50 2kb3 h LYS 52 CO 1.02 0.64 -0.19 0.50 -3.45 0.00 0.00 179.45 177.97 2kb3 s ARG 53 N -2.59 0.51 0.00 1.90 3.52 -1.15 -4.72 118.95 116.41 2kb3 s ARG 53 Ca -0.08 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 2kb3 s ARG 53 Cb 0.08 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 2kb3 s ARG 53 CO 0.82 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.62 2kb3 n GLY 54 N 3.26 2.64 0.37 8.12 0.00 -1.26 -1.94 105.19 116.38 2kb3 n GLY 54 Ca -0.16 -1.73 0.19 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 -0.54 1.61 0.11 -1.97 -0.75 132.00 130.45 2kb3 h PRO 55 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 55 CO 0.00 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.08 2kb3 n ASN 56 N -4.35 5.09 -4.72 -2.05 2.85 -1.26 -5.01 115.26 105.82 2kb3 n ASN 56 Ca 0.08 -2.78 -0.40 0.00 -0.11 0.00 0.00 54.58 51.37 2kb3 n ASN 56 Cb 0.54 -0.62 0.02 0.00 1.24 0.00 0.00 39.78 40.96 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb3 n ALA 57 N 0.59 1.46 0.00 5.20 0.00 -0.29 -2.46 120.51 125.00 2kb3 n ALA 57 Ca 0.26 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kb3 n ALA 57 Cb 1.04 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.77 1.53 3.67 0.00 0.00 -0.01 -4.98 105.19 106.17 2kb3 n GLY 58 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.39 3.61 -0.03 4.61 0.00 -1.03 -4.86 121.76 121.67 2kb3 s ALA 59 Ca 0.00 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.65 2kb3 s ALA 59 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.51 2kb3 s ALA 59 CO 0.00 -1.08 -0.07 0.50 0.00 0.00 0.00 175.76 175.11 2kb3 s ARG 60 N 3.11 0.84 0.02 0.00 3.52 -1.26 -0.51 118.95 124.67 2kb3 s ARG 60 Ca 0.60 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 2kb3 s ARG 60 Cb -0.26 -0.80 -0.01 0.00 -1.56 0.00 0.00 34.95 32.31 2kb3 s ARG 60 CO 0.21 0.06 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.66 2kb3 s PHE 61 N 0.32 0.44 -0.17 5.12 0.08 -0.60 -4.98 117.98 118.19 2kb3 s PHE 61 Ca -0.05 -0.30 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 2kb3 s PHE 61 Cb -0.09 -0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.05 2kb3 s PHE 61 CO 0.00 -0.07 0.44 -1.17 -0.10 0.00 0.00 175.22 174.32 2kb3 s LEU 62 N -0.87 4.20 -0.46 -0.37 2.96 -1.26 -1.47 118.68 121.41 2kb3 s LEU 62 Ca -0.06 0.65 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 2kb3 s LEU 62 Cb -0.06 -2.60 0.05 0.00 0.50 0.00 0.00 46.19 44.08 2kb3 s LEU 62 CO -0.00 -0.05 0.45 -0.76 -1.32 0.00 0.00 176.35 174.67 2kb3 s LEU 63 N 1.04 5.17 0.00 -0.68 2.01 0.13 -4.63 118.68 121.74 2kb3 s LEU 63 Ca 0.22 -0.98 0.00 0.00 0.01 0.00 0.00 54.13 53.38 2kb3 s LEU 63 Cb -0.15 -2.31 0.00 0.00 0.01 0.00 0.00 46.19 43.75 2kb3 s LEU 63 CO 0.09 -0.66 0.75 -0.90 1.01 0.00 0.00 176.35 176.64 2kb3 n ASP 64 N 5.55 0.00 -4.69 2.29 5.68 -1.26 -3.10 116.55 121.03 2kb3 n ASP 64 Ca -0.09 -1.54 -0.34 0.00 -0.50 0.00 0.00 54.79 52.32 2kb3 n ASP 64 Cb 0.46 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.24 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kb3 s GLN 65 N 0.00 2.91 0.56 0.11 -2.07 -1.26 -5.01 119.66 114.90 2kb3 s GLN 65 Ca 0.00 -0.49 0.37 0.00 -1.82 0.00 0.00 55.36 53.42 2kb3 s GLN 65 Cb 0.00 -2.74 1.80 0.00 -1.09 0.00 0.00 33.01 30.97 2kb3 s GLN 65 CO 0.00 0.67 2.11 -1.00 -1.32 0.00 0.00 175.29 175.75 2kb3 h PRO 66 N 4.78 0.00 -2.80 9.60 0.13 -1.93 -3.23 132.00 138.55 2kb3 h PRO 66 Ca -0.50 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 2kb3 h PRO 66 Cb 1.18 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 2kb3 h PRO 66 CO 0.56 0.00 -0.37 0.99 -0.23 0.00 0.00 178.00 178.95 2kb3 s THR 67 N -3.84 -0.03 -0.16 1.56 2.01 -1.26 -2.22 115.64 111.69 2kb3 s THR 67 Ca -0.02 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 2kb3 s THR 67 Cb 0.11 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 72.15 2kb3 s THR 67 CO 0.45 0.05 0.00 -0.89 -0.69 0.00 0.00 174.62 173.53 2kb3 s THR 68 N 1.35 0.69 -0.02 -0.82 2.01 0.84 -4.99 115.64 114.70 2kb3 s THR 68 Ca -0.09 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 2kb3 s THR 68 Cb -0.09 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 2kb3 s THR 68 CO -0.11 -0.02 0.43 -0.89 -0.69 0.00 0.00 174.62 173.34 2kb3 s THR 69 N 1.80 5.04 -0.05 -0.82 2.01 -1.26 -0.22 115.64 122.14 2kb3 s THR 69 Ca 0.01 0.88 0.05 0.00 0.31 0.00 0.00 61.69 62.93 2kb3 s THR 69 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kb3 s THR 69 CO -0.07 0.53 -0.22 0.00 -0.69 0.00 0.00 174.62 174.17 2kb3 s ALA 70 N -0.75 2.31 0.00 7.40 0.00 0.01 -1.49 121.76 129.25 2kb3 s ALA 70 Ca 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2kb3 s ALA 70 Cb -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2kb3 s ALA 70 CO 0.13 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.76 2kb3 n GLY 71 N 2.74 0.13 3.14 0.00 0.00 -1.17 0.01 105.19 110.04 2kb3 n GLY 71 Ca -0.17 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -2.00 2.91 0.00 1.61 3.52 0.59 -0.65 118.95 124.94 2kb3 s ARG 72 Ca 0.00 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 2kb3 s ARG 72 Cb 0.00 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2kb3 s ARG 72 CO 0.00 -0.28 0.00 1.58 -0.81 0.00 0.00 175.30 175.79 2kb3 n HIS 73 N 4.62 0.00 -0.16 5.12 -0.00 -1.26 -3.27 115.22 120.26 2kb3 n HIS 73 Ca -0.19 0.00 0.27 0.00 0.46 0.00 0.00 57.72 58.25 2kb3 n HIS 73 Cb 0.49 0.00 0.70 0.00 -0.12 0.00 0.00 29.99 31.05 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kb3 h PRO 74 N 0.00 0.04 -0.16 1.57 0.13 -1.94 -1.28 132.00 130.36 2kb3 h PRO 74 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kb3 h PRO 74 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2kb3 h PRO 74 CO 0.00 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.19 2kb3 n GLU 75 N -4.31 1.68 -3.09 0.86 -0.58 -1.26 -4.80 120.64 109.14 2kb3 n GLU 75 Ca 0.17 -1.02 -0.42 0.00 -0.42 0.00 0.00 57.16 55.48 2kb3 n GLU 75 Cb 0.89 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 30.31 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2kb3 s SER 76 N -1.55 6.48 0.39 1.62 1.04 -0.49 -4.78 113.70 116.42 2kb3 s SER 76 Ca 0.32 0.31 0.05 0.00 0.48 0.00 0.00 55.95 57.11 2kb3 s SER 76 Cb 0.17 -2.34 0.78 0.00 0.10 0.00 0.00 66.02 64.73 2kb3 s SER 76 CO 0.25 -0.57 2.04 -0.78 0.98 0.00 0.00 173.24 175.17 2kb3 h ASP 77 N 8.34 0.56 -3.68 7.02 3.58 -1.74 -3.31 116.42 127.19 2kb3 h ASP 77 Ca -0.26 -0.01 -0.68 0.00 0.42 0.00 0.00 57.03 56.49 2kb3 h ASP 77 Cb 1.11 -0.14 -0.32 0.00 1.72 0.00 0.00 39.33 41.70 2kb3 h ASP 77 CO 0.83 0.41 -0.71 0.27 -2.88 0.00 0.00 179.24 177.16 2kb3 s ILE 78 N -5.58 3.03 -0.25 2.25 -4.36 -0.55 -4.97 121.20 110.77 2kb3 s ILE 78 Ca -0.09 -1.23 -0.16 0.00 -0.26 0.00 0.00 60.65 58.91 2kb3 s ILE 78 Cb 0.18 -2.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 2kb3 s ILE 78 CO 0.74 -0.01 0.44 0.12 0.24 0.00 0.00 174.94 176.47 2kb3 s PHE 79 N 1.29 3.28 -0.18 1.37 5.36 -1.25 -3.01 117.98 124.84 2kb3 s PHE 79 Ca -0.03 0.55 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 2kb3 s PHE 79 Cb -0.19 -2.62 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 2kb3 s PHE 79 CO -0.02 -0.20 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.84 2kb3 s LEU 80 N 2.01 2.18 -0.11 6.12 2.01 0.18 -4.89 118.68 126.17 2kb3 s LEU 80 Ca 0.18 -0.68 0.01 0.00 0.01 0.00 0.00 54.13 53.65 2kb3 s LEU 80 Cb -0.16 -1.46 0.02 0.00 0.01 0.00 0.00 46.19 44.60 2kb3 s LEU 80 CO 0.09 -0.02 -0.14 -0.62 1.01 0.00 0.00 176.35 176.67 2kb3 s ASP 81 N 1.29 2.40 0.00 2.29 2.15 -1.26 -3.85 116.67 119.69 2kb3 s ASP 81 Ca 0.04 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.61 2kb3 s ASP 81 Cb -0.13 -1.06 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 2kb3 s ASP 81 CO -0.12 -0.00 0.00 -0.67 -0.17 0.00 0.00 175.17 174.21 2kb3 n ASP 82 N 4.29 0.00 0.27 -0.34 2.03 -1.26 -4.74 116.55 116.80 2kb3 n ASP 82 Ca -0.19 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.30 2kb3 n ASP 82 Cb 0.51 0.00 0.93 0.00 -0.72 0.00 0.00 41.12 41.84 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 0.00 0.31 -0.77 5.18 2.07 -1.99 -3.33 116.25 117.72 2kb3 h VAL 83 Ca 0.00 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.97 2kb3 h VAL 83 Cb 0.00 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 2kb3 h VAL 83 CO 0.00 0.00 1.74 -0.89 0.02 0.00 0.00 177.57 178.44 2kb3 s THR 84 N -4.45 3.90 -0.44 2.57 2.01 -1.26 -4.88 115.64 113.09 2kb3 s THR 84 Ca -0.05 -1.44 -0.13 0.00 0.31 0.00 0.00 61.69 60.39 2kb3 s THR 84 Cb 0.14 -4.95 0.07 0.00 0.01 0.00 0.00 72.50 67.77 2kb3 s THR 84 CO 0.48 -1.67 0.32 -0.69 -0.69 0.00 0.00 174.62 172.36 2kb3 s VAL 85 N 6.53 4.77 -0.28 3.82 1.01 -1.25 -4.55 120.40 130.46 2kb3 s VAL 85 Ca 0.58 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2kb3 s VAL 85 Cb 0.02 -3.85 0.10 0.00 0.00 0.00 0.00 36.38 32.65 2kb3 s VAL 85 CO 0.07 -0.50 0.84 -0.44 0.00 0.00 0.00 175.10 175.07 2kb3 s SER 86 N 2.25 -0.68 0.52 3.32 0.01 -1.26 -4.70 113.70 113.16 2kb3 s SER 86 Ca 0.03 1.21 0.26 0.00 1.31 0.00 0.00 55.95 58.76 2kb3 s SER 86 Cb -0.23 1.25 1.42 0.00 0.21 0.00 0.00 66.02 68.67 2kb3 s SER 86 CO 0.05 -0.20 2.08 0.08 0.41 0.00 0.00 173.24 175.65 2kb3 h ARG 87 N 5.39 0.00 -3.10 12.44 0.11 -1.53 0.17 114.38 127.86 2kb3 h ARG 87 Ca -0.29 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.57 2kb3 h ARG 87 Cb 1.19 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.95 2kb3 h ARG 87 CO 0.11 0.12 -0.54 1.03 0.10 0.00 0.00 179.97 180.79 2kb3 s ARG 88 N -4.29 0.14 -0.25 0.08 0.52 -1.26 -4.32 118.95 109.57 2kb3 s ARG 88 Ca -0.03 0.50 -0.15 0.00 -0.52 0.00 0.00 55.73 55.52 2kb3 s ARG 88 Cb 0.14 -0.15 -0.10 0.00 0.52 0.00 0.00 34.95 35.35 2kb3 s ARG 88 CO 0.60 -0.19 -0.35 1.58 0.02 0.00 0.00 175.30 176.96 2kb3 n HIS 89 N 4.42 0.01 -3.69 -0.53 -0.00 0.10 -4.83 115.22 110.71 2kb3 n HIS 89 Ca -0.22 0.01 -0.10 0.00 -0.00 0.00 0.00 57.72 57.41 2kb3 n HIS 89 Cb 0.52 -0.86 -0.03 0.00 -0.00 0.00 0.00 29.99 29.62 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 -2.62 -1.19 -0.01 1.57 0.00 -1.07 -2.66 121.76 115.78 2kb3 s ALA 90 Ca -0.36 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2kb3 s ALA 90 Cb 0.12 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 2kb3 s ALA 90 CO 0.47 -0.86 -0.14 -1.83 0.00 0.00 0.00 175.76 173.40 2kb3 s GLU 91 N -3.85 1.20 -0.20 0.00 -1.05 0.21 -0.81 118.70 114.20 2kb3 s GLU 91 Ca 0.08 -0.51 -0.05 0.00 -0.15 0.00 0.00 54.97 54.33 2kb3 s GLU 91 Cb -0.02 -1.15 -0.03 0.00 -0.44 0.00 0.00 34.13 32.49 2kb3 s GLU 91 CO -0.03 0.30 0.01 -0.06 0.95 0.00 0.00 175.26 176.42 2kb3 s PHE 92 N -0.28 3.06 -0.11 4.83 0.08 0.70 -0.78 117.98 125.47 2kb3 s PHE 92 Ca 0.04 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2kb3 s PHE 92 Cb -0.06 -2.08 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2kb3 s PHE 92 CO -0.00 -0.20 -0.17 1.03 -0.10 0.00 0.00 175.22 175.78 2kb3 s ARG 93 N 0.92 3.13 -0.27 0.44 0.52 0.77 -0.11 118.95 124.34 2kb3 s ARG 93 Ca 0.01 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2kb3 s ARG 93 Cb -0.14 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 32.89 2kb3 s ARG 93 CO 0.02 0.27 -0.03 0.42 0.02 0.00 0.00 175.30 176.00 2kb3 s ILE 94 N 0.17 2.89 -0.03 1.52 1.09 -0.94 -0.38 121.20 125.51 2kb3 s ILE 94 Ca -0.09 -1.24 -0.01 0.00 -1.10 0.00 0.00 60.65 58.21 2kb3 s ILE 94 Cb -0.16 -2.58 0.03 0.00 -1.06 0.00 0.00 42.46 38.70 2kb3 s ILE 94 CO 0.06 0.03 0.03 0.21 -0.10 0.00 0.00 174.94 175.17 2kb3 s ASN 95 N 1.28 0.69 -1.46 3.58 2.47 0.02 -3.68 114.94 117.83 2kb3 s ASN 95 Ca -0.03 0.02 -0.10 0.00 0.42 0.00 0.00 52.86 53.17 2kb3 s ASN 95 Cb -0.18 -0.17 0.05 0.00 -1.45 0.00 0.00 41.25 39.49 2kb3 s ASN 95 CO -0.03 -0.17 0.85 -0.62 -3.72 0.00 0.00 177.10 173.41 2kb3 n GLU 96 N 4.65 -5.55 -0.93 0.43 1.02 -1.26 -0.86 120.64 118.14 2kb3 n GLU 96 Ca -0.17 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2kb3 n GLU 96 Cb 0.50 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 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 -1.63 0.89 3.48 0.62 0.00 -1.26 -5.01 105.19 102.28 2kb3 n GLY 97 Ca -0.01 0.00 -0.33 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 -0.07 3.45 -0.29 1.61 2.02 -0.04 -5.08 118.70 120.30 2kb3 s GLU 98 Ca 0.00 -0.57 -0.09 0.00 0.02 0.00 0.00 54.97 54.33 2kb3 s GLU 98 Cb 0.00 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 2kb3 s GLU 98 CO 0.00 0.31 0.12 -0.06 0.02 0.00 0.00 175.26 175.65 2kb3 s PHE 99 N 0.16 3.15 -0.10 1.61 0.08 -1.26 -0.80 117.98 120.81 2kb3 s PHE 99 Ca -0.03 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.58 2kb3 s PHE 99 Cb -0.14 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.99 2kb3 s PHE 99 CO 0.03 -0.40 -0.20 -1.83 -0.10 0.00 0.00 175.22 172.72 2kb3 s GLU 100 N 1.62 3.08 -0.22 0.44 -1.05 0.49 -0.26 118.70 122.80 2kb3 s GLU 100 Ca 0.05 -0.82 -0.06 0.00 -0.15 0.00 0.00 54.97 54.00 2kb3 s GLU 100 Cb -0.16 -2.39 -0.03 0.00 -0.44 0.00 0.00 34.13 31.11 2kb3 s GLU 100 CO 0.06 0.23 0.03 0.08 0.95 0.00 0.00 175.26 176.61 2kb3 s VAL 101 N 0.25 4.12 -0.15 1.83 1.01 0.78 -0.17 120.40 128.07 2kb3 s VAL 101 Ca -0.14 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2kb3 s VAL 101 Cb -0.17 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2kb3 s VAL 101 CO 0.07 0.39 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 2kb3 s VAL 102 N 1.26 2.07 0.27 2.92 1.01 0.04 -0.67 120.40 127.31 2kb3 s VAL 102 Ca 0.04 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2kb3 s VAL 102 Cb -0.15 -1.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 2kb3 s VAL 102 CO 0.02 0.55 1.03 -0.62 0.00 0.00 0.00 175.10 176.08 2kb3 s ASP 103 N 0.91 7.39 -0.01 3.32 -1.08 0.42 -0.62 116.67 127.00 2kb3 s ASP 103 Ca -0.05 2.13 0.21 0.00 -0.52 0.00 0.00 52.55 54.32 2kb3 s ASP 103 Cb -0.15 -2.62 -0.27 0.00 -1.46 0.00 0.00 42.92 38.43 2kb3 s ASP 103 CO -0.04 -0.04 0.73 1.33 0.52 0.00 0.00 175.17 177.67 2kb3 n VAL 104 N 1.23 0.00 0.00 1.11 0.24 -1.09 -4.88 118.33 114.95 2kb3 n VAL 104 Ca -0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2kb3 n VAL 104 Cb 0.46 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 1.41 -1.41 0.22 7.63 0.00 -1.26 -5.03 105.19 106.76 2kb3 n GLY 105 Ca 0.01 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 0.00 0.11 -0.04 1.61 7.64 -1.26 -2.73 113.62 118.94 2kb3 n SER 106 Ca 0.00 -0.50 -0.12 0.00 1.01 0.00 0.00 58.87 59.27 2kb3 n SER 106 Cb 0.00 -0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb3 h LEU 107 N 0.34 0.79 0.00 -3.43 4.07 -1.96 -3.02 115.31 112.10 2kb3 h LEU 107 Ca 0.00 -0.41 -0.00 0.00 0.08 0.00 0.00 57.88 57.55 2kb3 h LEU 107 Cb 0.06 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.57 2kb3 h LEU 107 CO 0.00 1.16 -1.14 -0.46 -1.08 0.00 0.00 178.44 176.92 2kb3 n ASN 108 N -3.99 0.74 -1.65 -0.43 0.23 -1.11 -2.64 115.26 106.41 2kb3 n ASN 108 Ca -0.03 0.29 -0.00 0.00 -0.53 0.00 0.00 54.58 54.30 2kb3 n ASN 108 Cb 0.60 0.63 -0.00 0.00 -2.08 0.00 0.00 39.78 38.93 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kb3 n GLY 109 N 1.20 -3.14 3.71 4.83 0.00 -1.14 -4.81 105.19 105.84 2kb3 n GLY 109 Ca -0.01 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.15 4.88 -0.17 2.61 2.01 -1.26 -4.63 115.64 118.93 2kb3 s THR 110 Ca -0.02 1.97 -0.02 0.00 0.31 0.00 0.00 61.69 63.93 2kb3 s THR 110 Cb 0.00 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2kb3 s THR 110 CO 0.10 0.18 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.81 2kb3 s TYR 111 N 0.94 2.88 -0.02 4.92 2.02 -0.99 -0.79 117.35 126.31 2kb3 s TYR 111 Ca 0.50 -0.80 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2kb3 s TYR 111 Cb -0.21 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 2kb3 s TYR 111 CO 0.27 -0.36 -0.08 0.08 -1.57 0.00 0.00 175.55 173.88 2kb3 s VAL 112 N 0.82 0.70 -1.49 0.71 1.01 0.11 -0.33 120.40 121.93 2kb3 s VAL 112 Ca -0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2kb3 s VAL 112 Cb -0.15 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.68 2kb3 s VAL 112 CO 0.01 0.22 0.95 -3.20 0.00 0.00 0.00 175.10 173.07 2kb3 n ASN 113 N 3.20 -5.07 -1.33 3.32 2.85 0.25 -1.83 115.26 116.65 2kb3 n ASN 113 Ca -0.17 -0.68 -0.17 0.00 -0.11 0.00 0.00 54.58 53.45 2kb3 n ASN 113 Cb 0.55 -4.05 -0.07 0.00 1.24 0.00 0.00 39.78 37.45 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 -4.61 -1.19 -4.10 1.20 1.74 -0.80 -4.88 116.66 104.02 2kb3 n ARG 114 Ca 0.02 1.09 -0.12 0.00 -0.77 0.00 0.00 57.85 58.07 2kb3 n ARG 114 Cb 0.54 -5.32 -0.11 0.00 -1.02 0.00 0.00 32.46 26.55 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 -3.51 0.63 0.10 5.56 2.02 -0.76 -4.95 118.70 117.79 2kb3 s GLU 115 Ca 0.00 -0.95 -0.31 0.00 0.02 0.00 0.00 54.97 53.73 2kb3 s GLU 115 Cb 0.00 -0.25 -0.10 0.00 0.10 0.00 0.00 34.13 33.88 2kb3 s GLU 115 CO 0.00 0.02 1.88 -2.14 0.02 0.00 0.00 175.26 175.04 2kb3 s PRO 116 N -2.35 4.13 -0.00 0.39 0.02 -1.26 0.10 135.00 136.03 2kb3 s PRO 116 Ca -0.03 2.61 0.02 0.00 0.02 0.00 0.00 61.00 63.62 2kb3 s PRO 116 Cb -0.05 -3.76 -0.00 0.00 0.02 0.00 0.00 34.50 30.71 2kb3 s PRO 116 CO -0.01 -0.88 -0.05 0.50 -0.33 0.00 0.00 177.00 176.22 2kb3 s ARG 117 N 3.24 0.43 -0.23 5.54 6.06 0.02 -4.86 118.95 129.16 2kb3 s ARG 117 Ca 0.83 -0.19 0.05 0.00 -2.50 0.00 0.00 55.73 53.93 2kb3 s ARG 117 Cb -0.45 -0.41 -0.20 0.00 0.06 0.00 0.00 34.95 33.95 2kb3 s ARG 117 CO 0.38 0.11 -0.09 0.09 -2.50 0.00 0.00 175.30 173.30 2kb3 n ASN 118 N 2.95 1.54 -3.73 -2.12 4.13 -1.26 -4.50 115.26 112.28 2kb3 n ASN 118 Ca -0.13 -0.06 -0.12 0.00 1.68 0.00 0.00 54.58 55.95 2kb3 n ASN 118 Cb 0.58 -0.14 -0.10 0.00 -1.54 0.00 0.00 39.78 38.58 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.52 -0.99 -0.18 5.41 0.00 -1.26 -0.44 121.76 121.79 2kb3 s ALA 119 Ca -0.28 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 2kb3 s ALA 119 Cb 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.52 2kb3 s ALA 119 CO 0.67 -0.21 0.45 -1.14 0.00 0.00 0.00 175.76 175.53 2kb3 s GLN 120 N 0.57 0.49 -0.28 0.00 2.00 0.16 -4.99 119.66 117.60 2kb3 s GLN 120 Ca -0.03 0.71 -0.28 0.00 -2.00 0.00 0.00 55.36 53.77 2kb3 s GLN 120 Cb -0.05 0.15 0.01 0.00 0.80 0.00 0.00 33.01 33.93 2kb3 s GLN 120 CO -0.03 -0.10 1.00 0.08 -0.50 0.00 0.00 175.29 175.74 2kb3 s VAL 121 N 0.71 4.63 -0.07 1.34 1.01 -1.26 -0.15 120.40 126.61 2kb3 s VAL 121 Ca -0.04 1.74 -0.22 0.00 0.00 0.00 0.00 61.98 63.46 2kb3 s VAL 121 Cb -0.05 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2kb3 s VAL 121 CO -0.05 -0.32 0.64 -0.32 0.00 0.00 0.00 175.10 175.05 2kb3 s MET 122 N 3.34 4.40 0.21 2.72 1.75 0.64 -4.98 119.30 127.39 2kb3 s MET 122 Ca 0.42 0.77 0.02 0.00 -1.25 0.00 0.00 55.69 55.64 2kb3 s MET 122 Cb -0.14 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.07 2kb3 s MET 122 CO 0.11 0.13 0.37 -0.65 -0.65 0.00 0.00 175.02 174.33 2kb3 s GLN 123 N 0.62 3.47 0.12 4.11 -0.21 -1.26 -4.59 119.66 121.91 2kb3 s GLN 123 Ca 0.34 -0.51 -0.31 0.00 0.02 0.00 0.00 55.36 54.90 2kb3 s GLN 123 Cb -0.17 -2.87 -0.07 0.00 1.00 0.00 0.00 33.01 30.89 2kb3 s GLN 123 CO 0.16 0.42 1.32 -0.08 -2.12 0.00 0.00 175.29 174.99 2kb3 s THR 124 N -1.90 3.48 0.00 -0.19 -1.32 -1.26 -2.12 115.64 112.33 2kb3 s THR 124 Ca 0.36 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.93 2kb3 s THR 124 Cb -0.10 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2kb3 s THR 124 CO 0.30 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.41 2kb3 n GLY 125 N 3.22 0.54 3.76 6.08 0.00 0.14 -4.85 105.19 114.09 2kb3 n GLY 125 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.97 6.95 -0.17 1.61 -1.08 -0.90 -4.79 116.67 115.32 2kb3 s ASP 126 Ca 0.00 2.40 -0.02 0.00 -0.52 0.00 0.00 52.55 54.41 2kb3 s ASP 126 Cb 0.00 -2.63 -0.01 0.00 -1.46 0.00 0.00 42.92 38.82 2kb3 s ASP 126 CO 0.00 -0.38 -0.08 -1.61 0.52 0.00 0.00 175.17 173.62 2kb3 s GLU 127 N -1.76 3.42 -0.15 4.34 2.02 -1.26 -1.09 118.70 124.23 2kb3 s GLU 127 Ca 0.49 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 2kb3 s GLU 127 Cb -0.34 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 2kb3 s GLU 127 CO 0.43 0.04 -0.02 0.42 0.02 0.00 0.00 175.26 176.16 2kb3 s ILE 128 N 0.83 4.04 -0.16 -1.63 1.01 0.65 -0.58 121.20 125.37 2kb3 s ILE 128 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2kb3 s ILE 128 Cb -0.15 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2kb3 s ILE 128 CO 0.01 0.51 -0.21 -1.58 0.00 0.00 0.00 174.94 173.67 2kb3 s GLN 129 N 0.15 3.01 -0.38 2.79 0.74 0.56 -0.16 119.66 126.37 2kb3 s GLN 129 Ca -0.00 -0.84 -0.02 0.00 0.05 0.00 0.00 55.36 54.54 2kb3 s GLN 129 Cb -0.13 -2.49 0.09 0.00 1.10 0.00 0.00 33.01 31.58 2kb3 s GLN 129 CO 0.02 -0.09 0.15 0.42 -0.55 0.00 0.00 175.29 175.24 2kb3 s ILE 130 N 1.01 3.16 0.00 -2.34 1.01 -0.18 -2.34 121.20 121.52 2kb3 s ILE 130 Ca -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.71 2kb3 s ILE 130 Cb -0.15 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.23 2kb3 s ILE 130 CO -0.06 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 174.94 2kb3 n GLY 131 N 4.58 1.87 0.42 6.18 0.00 -1.26 -0.55 105.19 116.43 2kb3 n GLY 131 Ca -0.04 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 2.55 1.51 -2.38 1.61 2.85 -1.26 -4.94 118.16 118.10 2kb3 n LYS 132 Ca 0.00 -0.89 -0.42 0.00 -1.05 0.00 0.00 58.31 55.95 2kb3 n LYS 132 Cb 0.00 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 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 -2.11 3.41 -0.23 5.58 0.40 0.29 -4.75 117.98 120.57 2kb3 s PHE 133 Ca 0.15 1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 57.70 2kb3 s PHE 133 Cb 0.15 -3.46 -0.00 0.00 0.51 0.00 0.00 43.02 40.21 2kb3 s PHE 133 CO 0.46 -1.45 -0.04 0.50 0.70 0.00 0.00 175.22 175.40 2kb3 s ARG 134 N 0.94 3.32 -0.08 0.44 6.06 -0.82 -1.01 118.95 127.81 2kb3 s ARG 134 Ca 0.59 -0.66 0.04 0.00 -2.50 0.00 0.00 55.73 53.20 2kb3 s ARG 134 Cb -0.31 -3.02 -0.01 0.00 0.06 0.00 0.00 34.95 31.66 2kb3 s ARG 134 CO 0.30 -0.22 -0.20 -0.51 -2.50 0.00 0.00 175.30 172.17 2kb3 s LEU 135 N 1.47 2.37 -0.10 -0.88 1.02 0.77 0.06 118.68 123.39 2kb3 s LEU 135 Ca 0.05 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 53.82 2kb3 s LEU 135 Cb -0.15 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.58 2kb3 s LEU 135 CO -0.03 0.24 -0.18 -0.69 0.02 0.00 0.00 176.35 175.70 2kb3 s VAL 136 N -0.09 2.61 -0.25 -1.59 1.01 0.37 -0.25 120.40 122.20 2kb3 s VAL 136 Ca -0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 2kb3 s VAL 136 Cb -0.14 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2kb3 s VAL 136 CO 0.04 0.55 0.15 0.12 0.00 0.00 0.00 175.10 175.96 2kb3 s PHE 137 N 0.19 3.23 -0.03 5.22 5.36 -0.25 -0.68 117.98 131.03 2kb3 s PHE 137 Ca -0.11 0.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.97 2kb3 s PHE 137 Cb -0.16 -2.29 -0.00 0.00 -0.34 0.00 0.00 43.02 40.22 2kb3 s PHE 137 CO 0.06 -0.09 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.08 2kb3 s LEU 138 N 1.38 1.92 0.05 6.12 1.02 0.65 0.27 118.68 130.09 2kb3 s LEU 138 Ca 0.07 -0.27 -0.24 0.00 0.02 0.00 0.00 54.13 53.70 2kb3 s LEU 138 Cb -0.15 -0.78 -0.06 0.00 0.02 0.00 0.00 46.19 45.23 2kb3 s LEU 138 CO 0.07 0.14 0.73 0.00 0.02 0.00 0.00 176.35 177.31 2kb3 s ALA 139 N -0.06 3.41 0.00 4.21 0.00 -1.26 -0.36 121.76 127.69 2kb3 s ALA 139 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2kb3 s ALA 139 Cb -0.08 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2kb3 s ALA 139 CO 0.01 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2kb3 n GLY 140 N 2.28 0.84 3.71 0.00 0.00 -1.21 -4.89 105.19 105.92 2kb3 n GLY 140 Ca -0.04 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.08 1.46 -0.91 1.61 0.02 -1.26 -4.83 135.00 131.01 2kb3 s PRO 141 Ca 0.00 1.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.17 2kb3 s PRO 141 Cb 0.00 -1.81 0.34 0.00 0.02 0.00 0.00 34.50 33.05 2kb3 s PRO 141 CO 0.00 -2.20 1.94 0.00 -0.33 0.00 0.00 177.00 176.40 2kb3 n ALA 142 N -3.90 6.33 1.96 -1.55 0.00 -1.26 -5.06 120.51 117.03 2kb3 n ALA 142 Ca 0.09 -4.31 0.16 0.00 0.00 0.00 0.00 53.44 49.38 2kb3 n ALA 142 Cb 0.53 -2.04 0.93 0.00 0.00 0.00 0.00 19.45 18.88 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59