#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 7.27 -0.67 7.83 0.01 -1.26 -4.99 113.70 121.90 2kb3 s SER 2 Ca 0.00 1.52 -0.27 0.00 1.31 0.00 0.00 55.95 58.50 2kb3 s SER 2 Cb 0.00 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.78 2kb3 s SER 2 CO 0.00 0.08 1.29 -1.81 0.41 0.00 0.00 173.24 173.22 2kb3 s ASP 3 N -0.43 6.20 0.01 2.44 1.01 -1.26 -4.97 116.67 119.68 2kb3 s ASP 3 Ca 0.38 -0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.51 2kb3 s ASP 3 Cb -0.21 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 2kb3 s ASP 3 CO 0.24 -1.75 -0.14 0.21 0.21 0.00 0.00 175.17 173.94 2kb3 s ASN 4 N 3.77 1.71 0.25 0.27 3.84 -1.26 -5.15 114.94 118.37 2kb3 s ASN 4 Ca 0.41 -0.34 -0.07 0.00 0.21 0.00 0.00 52.86 53.06 2kb3 s ASN 4 Cb -0.08 -0.16 -0.02 0.00 -0.55 0.00 0.00 41.25 40.44 2kb3 s ASN 4 CO 0.19 0.13 0.36 0.54 -2.79 0.00 0.00 177.10 175.53 2kb3 s ASN 5 N -0.66 0.15 0.00 -4.21 6.03 -1.26 -5.10 114.94 109.89 2kb3 s ASN 5 Ca 0.04 -1.17 0.00 0.00 -1.03 0.00 0.00 52.86 50.70 2kb3 s ASN 5 Cb -0.06 0.53 0.00 0.00 -3.03 0.00 0.00 41.25 38.68 2kb3 s ASN 5 CO 0.00 -1.06 0.43 0.61 -2.03 0.00 0.00 177.10 175.05 2kb3 n GLY 6 N -0.37 -1.35 2.86 0.45 0.00 -1.26 -4.79 105.19 100.74 2kb3 n GLY 6 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 7 N -1.79 1.11 0.16 2.61 2.01 -1.26 -5.10 115.64 113.38 2kb3 s THR 7 Ca 0.00 -0.88 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 2kb3 s THR 7 Cb 0.00 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.98 2kb3 s THR 7 CO 0.00 -0.09 1.42 -2.84 -0.69 0.00 0.00 174.62 172.42 2kb3 s PRO 8 N 1.60 4.30 0.09 4.92 0.02 -1.26 -5.03 135.00 139.65 2kb3 s PRO 8 Ca -0.03 2.17 0.06 0.00 0.02 0.00 0.00 61.00 63.22 2kb3 s PRO 8 Cb -0.18 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 2kb3 s PRO 8 CO -0.07 -0.44 -0.05 -1.21 -0.33 0.00 0.00 177.00 174.90 2kb3 s GLU 9 N 0.63 2.34 -0.20 5.54 2.02 -1.26 -5.05 118.70 122.72 2kb3 s GLU 9 Ca 0.63 -0.93 -0.39 0.00 0.02 0.00 0.00 54.97 54.31 2kb3 s GLU 9 Cb -0.39 -2.42 -0.16 0.00 0.10 0.00 0.00 34.13 31.26 2kb3 s GLU 9 CO 0.34 0.53 1.68 -2.30 0.02 0.00 0.00 175.26 175.52 2kb3 n PRO 10 N 0.66 1.22 -3.32 0.39 -0.02 -1.26 -4.88 135.00 127.80 2kb3 n PRO 10 Ca -0.12 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.42 2kb3 n PRO 10 Cb 0.52 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 2kb3 n PRO 10 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2kb3 s GLN 11 N 2.99 4.27 -0.23 -0.52 -2.07 -1.26 -5.02 119.66 117.81 2kb3 s GLN 11 Ca 0.95 0.52 -0.06 0.00 -1.82 0.00 0.00 55.36 54.95 2kb3 s GLN 11 Cb -1.02 -3.38 -0.02 0.00 -1.09 0.00 0.00 33.01 27.50 2kb3 s GLN 11 CO 0.61 0.30 0.02 0.08 -1.32 0.00 0.00 175.29 174.98 2kb3 s VAL 12 N 0.13 3.97 0.17 3.63 1.01 -1.26 -5.08 120.40 122.97 2kb3 s VAL 12 Ca 0.27 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.03 2kb3 s VAL 12 Cb -0.16 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2kb3 s VAL 12 CO 0.13 0.38 -0.03 -0.70 0.00 0.00 0.00 175.10 174.88 2kb3 s GLU 13 N 1.44 2.31 1.21 2.72 2.56 -1.26 -5.20 118.70 122.48 2kb3 s GLU 13 Ca 0.05 -1.15 -0.20 0.00 0.00 0.00 0.00 54.97 53.67 2kb3 s GLU 13 Cb -0.15 -2.30 0.29 0.00 2.00 0.00 0.00 34.13 33.97 2kb3 s GLU 13 CO 0.01 0.45 1.12 0.99 -0.56 0.00 0.00 175.26 177.27 2kb3 s THR 14 N -1.72 1.57 -0.19 -1.70 2.01 -1.26 -4.94 115.64 109.41 2kb3 s THR 14 Ca 0.27 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2kb3 s THR 14 Cb -0.09 -2.51 0.15 0.00 0.01 0.00 0.00 72.50 70.05 2kb3 s THR 14 CO 0.18 0.00 1.14 -0.44 -0.69 0.00 0.00 174.62 174.81 2kb3 s SER 16 N -4.00 -0.22 -0.37 3.53 0.01 -1.26 -3.94 113.70 107.46 2kb3 s SER 16 Ca 0.72 0.17 -0.27 0.00 1.31 0.00 0.00 55.95 57.88 2kb3 s SER 16 Cb -0.08 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.36 2kb3 s SER 16 CO 0.56 -0.25 0.98 -0.69 0.41 0.00 0.00 173.24 174.25 2kb3 s VAL 17 N -1.52 4.54 -0.15 3.43 1.01 -1.26 -4.92 120.40 121.52 2kb3 s VAL 17 Ca 0.04 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.35 2kb3 s VAL 17 Cb -0.01 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 32.02 2kb3 s VAL 17 CO -0.03 -0.56 -0.16 0.72 0.00 0.00 0.00 175.10 175.06 2kb3 s PHE 18 N 3.60 2.32 -0.37 5.22 -0.71 -1.26 -5.04 117.98 121.74 2kb3 s PHE 18 Ca 0.41 -1.32 0.00 0.00 -1.04 0.00 0.00 56.93 54.98 2kb3 s PHE 18 Cb -0.12 -1.67 0.13 0.00 -1.21 0.00 0.00 43.02 40.15 2kb3 s PHE 18 CO 0.19 -0.69 0.19 1.03 -1.34 0.00 0.00 175.22 174.59 2kb3 s ARG 19 N 1.40 0.86 0.00 1.99 0.52 -1.26 -4.47 118.95 117.99 2kb3 s ARG 19 Ca 0.04 -1.48 0.11 0.00 -0.52 0.00 0.00 55.73 53.88 2kb3 s ARG 19 Cb -0.13 -1.87 0.30 0.00 0.52 0.00 0.00 34.95 33.77 2kb3 s ARG 19 CO -0.11 -1.12 1.24 0.00 0.02 0.00 0.00 175.30 175.33 2kb3 n ALA 20 N 4.12 2.19 -0.08 2.13 0.00 -0.97 -4.44 120.51 123.47 2kb3 n ALA 20 Ca 0.06 -1.12 0.08 0.00 0.00 0.00 0.00 53.44 52.46 2kb3 n ALA 20 Cb 0.37 -0.44 0.18 0.00 0.00 0.00 0.00 19.45 19.57 2kb3 n ALA 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kb3 n ASP 21 N 0.53 3.09 -0.05 0.00 2.03 -1.24 -4.67 116.55 116.24 2kb3 n ASP 21 Ca 0.11 -1.93 0.15 0.00 0.52 0.00 0.00 54.79 53.64 2kb3 n ASP 21 Cb 0.42 -0.26 0.57 0.00 -0.72 0.00 0.00 41.12 41.13 2kb3 n ASP 21 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kb3 h LEU 22 N 2.83 0.24 -0.66 -2.67 -0.00 -1.90 0.73 115.31 113.87 2kb3 h LEU 22 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.77 2kb3 h LEU 22 Cb 0.79 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 2kb3 h LEU 22 CO 0.00 0.14 -0.25 0.25 -0.00 0.00 0.00 178.44 178.58 2kb3 h LEU 23 N 0.26 0.80 0.00 1.67 5.85 -1.95 -1.84 115.31 120.10 2kb3 h LEU 23 Ca 0.26 -0.30 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 2kb3 h LEU 23 Cb 0.69 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2kb3 h LEU 23 CO -0.06 1.01 -1.45 0.29 -0.34 0.00 0.00 178.44 177.89 2kb3 n LYS 24 N -4.10 0.62 -0.15 1.25 4.76 0.84 -2.76 118.16 118.62 2kb3 n LYS 24 Ca -0.00 0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.53 2kb3 n LYS 24 Cb 0.45 -1.78 -0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2kb3 n LYS 24 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2kb3 h GLU 25 N 0.00 0.67 -0.47 1.97 4.22 0.28 0.27 114.58 121.52 2kb3 h GLU 25 Ca -0.16 -0.14 -0.03 0.00 0.08 0.00 0.00 59.36 59.11 2kb3 h GLU 25 Cb 1.54 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2kb3 h GLU 25 CO 0.04 0.65 0.18 0.52 -2.18 0.00 0.00 179.01 178.22 2kb3 h MET 26 N 0.56 0.67 -0.32 1.92 2.86 -1.39 0.10 114.93 119.33 2kb3 h MET 26 Ca 0.14 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2kb3 h MET 26 Cb 0.26 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2kb3 h MET 26 CO -0.00 0.56 -0.04 1.49 1.06 0.00 0.00 176.91 179.98 2kb3 h GLU 27 N 0.66 0.59 0.00 1.72 4.81 -1.24 -2.87 114.58 118.25 2kb3 h GLU 27 Ca 0.16 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kb3 h GLU 27 Cb 0.15 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2kb3 h GLU 27 CO -0.01 0.75 0.00 0.43 -0.73 0.00 0.00 179.01 179.44 2kb3 n SER 28 N -4.50 0.07 0.22 1.04 7.64 0.90 -2.57 113.62 116.42 2kb3 n SER 28 Ca -0.02 0.51 0.15 0.00 1.01 0.00 0.00 58.87 60.52 2kb3 n SER 28 Cb 0.30 -0.53 0.72 0.00 -1.01 0.00 0.00 64.21 63.69 2kb3 n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kb3 h SER 29 N 0.00 0.00 -2.04 6.43 0.02 -0.59 -3.43 113.55 113.94 2kb3 h SER 29 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 2kb3 h SER 29 Cb 0.34 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.89 2kb3 h SER 29 CO 0.00 0.00 1.26 0.41 -1.14 0.00 0.00 176.83 177.36 2kb3 n THR 30 N -2.64 0.56 -1.67 -2.27 -1.04 -1.06 -4.84 114.28 101.33 2kb3 n THR 30 Ca -0.00 -0.21 -0.44 0.00 -2.04 0.00 0.00 64.05 61.35 2kb3 n THR 30 Cb 0.17 -2.16 -0.04 0.00 -1.82 0.00 0.00 70.33 66.48 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 4.95 1.70 3.47 3.41 0.00 -1.26 -4.99 105.19 112.47 2kb3 n GLY 31 Ca 0.25 0.84 -0.29 0.00 0.00 0.00 0.00 46.02 46.81 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb3 s THR 32 N 4.44 2.77 0.11 2.61 -1.32 -1.26 -5.10 115.64 117.89 2kb3 s THR 32 Ca 0.91 -1.50 -0.31 0.00 -1.21 0.00 0.00 61.69 59.58 2kb3 s THR 32 Cb -0.53 -2.26 -0.09 0.00 -1.51 0.00 0.00 72.50 68.12 2kb3 s THR 32 CO 0.45 0.12 1.59 0.00 -2.21 0.00 0.00 174.62 174.58 2kb3 s ALA 33 N -1.11 3.72 0.43 11.08 0.00 -1.26 -4.96 121.76 129.65 2kb3 s ALA 33 Ca 0.17 1.26 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 2kb3 s ALA 33 Cb -0.10 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 2kb3 s ALA 33 CO 0.09 -0.93 1.37 -1.25 0.00 0.00 0.00 175.76 175.05 2kb3 s PRO 34 N 1.89 3.84 0.39 0.00 0.04 -1.26 -5.01 135.00 134.89 2kb3 s PRO 34 Ca 0.71 2.30 0.08 0.00 0.04 0.00 0.00 61.00 64.13 2kb3 s PRO 34 Cb -0.41 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 2kb3 s PRO 34 CO 0.31 -0.65 0.43 0.00 0.04 0.00 0.00 177.00 177.13 2kb3 s ALA 35 N -1.22 4.17 0.00 8.56 0.00 -1.26 -5.10 121.76 126.90 2kb3 s ALA 35 Ca 0.59 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2kb3 s ALA 35 Cb -0.41 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2kb3 s ALA 35 CO 0.53 -0.16 0.00 0.45 0.00 0.00 0.00 175.76 176.58 2kb3 n SER 36 N -1.61 0.00 0.00 0.00 2.88 -1.12 -4.58 113.62 109.19 2kb3 n SER 36 Ca 0.03 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 2kb3 n SER 36 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.00 0.00 2.46 5.66 -1.26 -4.91 114.28 116.23 2kb3 n THR 37 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kb3 n THR 37 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 -1.19 0.11 1.09 0.00 -1.26 -5.02 105.19 98.91 2kb3 n GLY 38 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.05 -0.04 4.61 0.00 -1.96 -3.25 119.26 118.57 2kb3 h ALA 39 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2kb3 h ALA 39 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kb3 h ALA 39 CO 0.00 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.91 2kb3 n GLU 40 N -4.26 1.16 0.00 0.00 1.02 -1.26 -2.17 120.64 115.13 2kb3 n GLU 40 Ca -0.12 -0.25 -0.05 0.00 -0.02 0.00 0.00 57.16 56.72 2kb3 n GLU 40 Cb 0.71 -1.29 -0.11 0.00 -0.02 0.00 0.00 31.44 30.73 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2kb3 h ASN 41 N 0.49 0.00 -5.52 1.62 -1.24 -1.95 -3.50 115.58 105.48 2kb3 h ASN 41 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 2kb3 h ASN 41 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 2kb3 h ASN 41 CO 0.00 0.82 -0.64 0.18 -1.29 0.00 0.00 177.43 176.50 2kb3 n LEU 42 N -2.99 -6.96 0.18 0.34 4.77 -0.92 -4.96 117.00 106.46 2kb3 n LEU 42 Ca -0.13 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2kb3 n LEU 42 Cb 0.96 -3.08 -0.06 0.00 -2.33 0.00 0.00 43.42 38.91 2kb3 n LEU 42 CO 0.44 -1.94 0.52 1.55 -1.33 0.00 0.00 177.39 176.63 2kb3 h PRO 43 N 2.02 -0.61 0.00 3.23 0.13 -1.85 -3.35 132.00 131.57 2kb3 h PRO 43 Ca -0.11 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2kb3 h PRO 43 Cb 1.07 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kb3 h PRO 43 CO 0.20 -0.41 -0.07 0.00 -0.23 0.00 0.00 178.00 177.50 2kb3 n ALA 44 N -2.62 1.87 -0.08 -0.56 0.00 -1.26 -4.97 120.51 112.88 2kb3 n ALA 44 Ca -0.08 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.03 2kb3 n ALA 44 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.58 2.36 3.54 0.00 0.00 -1.26 -5.00 105.19 104.26 2kb3 n GLY 45 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.61 4.11 0.06 1.61 0.01 -1.26 -5.00 113.70 109.61 2kb3 s SER 46 Ca 0.00 -0.62 -0.08 0.00 1.31 0.00 0.00 55.95 56.56 2kb3 s SER 46 Cb 0.00 -0.64 -0.00 0.00 0.21 0.00 0.00 66.02 65.59 2kb3 s SER 46 CO 0.00 0.11 0.16 0.00 0.41 0.00 0.00 173.24 173.92 2kb3 s ALA 47 N -1.65 -0.19 0.09 1.44 0.00 -1.22 -2.48 121.76 117.74 2kb3 s ALA 47 Ca 0.24 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 2kb3 s ALA 47 Cb -0.09 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2kb3 s ALA 47 CO 0.14 -0.42 -0.02 -0.48 0.00 0.00 0.00 175.76 174.98 2kb3 s LEU 48 N -2.50 2.31 0.05 0.00 0.05 -0.87 0.04 118.68 117.77 2kb3 s LEU 48 Ca 0.00 -1.06 0.04 0.00 0.05 0.00 0.00 54.13 53.17 2kb3 s LEU 48 Cb 0.02 0.15 -0.02 0.00 -2.05 0.00 0.00 46.19 44.29 2kb3 s LEU 48 CO -0.08 -0.60 -0.13 -1.48 -0.55 0.00 0.00 176.35 173.52 2kb3 s LEU 49 N -2.99 2.21 -0.07 1.48 0.05 0.74 -0.13 118.68 119.98 2kb3 s LEU 49 Ca 0.13 -0.50 0.04 0.00 0.05 0.00 0.00 54.13 53.85 2kb3 s LEU 49 Cb 0.07 -0.48 0.00 0.00 -2.05 0.00 0.00 46.19 43.73 2kb3 s LEU 49 CO -0.05 -0.04 -0.18 -0.69 -0.55 0.00 0.00 176.35 174.84 2kb3 s VAL 50 N -1.02 1.53 -0.28 1.48 1.01 0.35 -0.64 120.40 122.83 2kb3 s VAL 50 Ca -0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2kb3 s VAL 50 Cb -0.08 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2kb3 s VAL 50 CO 0.01 0.44 1.05 -0.69 0.00 0.00 0.00 175.10 175.91 2kb3 s VAL 51 N 0.32 4.59 -0.03 2.92 1.01 -0.38 -0.23 120.40 128.60 2kb3 s VAL 51 Ca -0.11 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.73 2kb3 s VAL 51 Cb -0.15 -4.36 -0.25 0.00 0.00 0.00 0.00 36.38 31.62 2kb3 s VAL 51 CO 0.05 -0.35 0.70 0.11 0.00 0.00 0.00 175.10 175.61 2kb3 h LYS 52 N 7.83 0.14 -3.05 2.72 1.79 -1.49 0.15 116.57 124.65 2kb3 h LYS 52 Ca -0.20 -0.23 -0.18 0.00 -2.18 0.00 0.00 60.65 57.86 2kb3 h LYS 52 Cb 1.06 0.09 -0.28 0.00 -1.58 0.00 0.00 32.23 31.52 2kb3 h LYS 52 CO 1.01 0.88 -0.46 0.50 -1.08 0.00 0.00 179.45 180.30 2kb3 s ARG 53 N -2.60 0.24 0.00 3.15 6.06 -1.23 -4.65 118.95 119.93 2kb3 s ARG 53 Ca -0.09 0.47 0.00 0.00 -2.50 0.00 0.00 55.73 53.61 2kb3 s ARG 53 Cb 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 34.95 35.06 2kb3 s ARG 53 CO 0.82 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.91 2kb3 n GLY 54 N 3.79 2.32 0.33 8.12 0.00 -1.26 -1.79 105.19 116.69 2kb3 n GLY 54 Ca -0.21 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 0.22 -0.72 1.61 0.11 -1.94 -1.04 132.00 130.25 2kb3 h PRO 55 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2kb3 h PRO 55 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2kb3 h PRO 55 CO 0.00 0.15 0.02 0.09 -0.21 0.00 0.00 178.00 178.04 2kb3 n ASN 56 N -4.47 4.31 -4.77 -2.05 4.13 -1.26 -4.96 115.26 106.19 2kb3 n ASN 56 Ca 0.05 -2.67 -0.41 0.00 1.68 0.00 0.00 54.58 53.23 2kb3 n ASN 56 Cb 0.29 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 37.89 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 57 N -2.24 3.60 0.00 5.41 0.00 -0.40 -2.25 121.76 125.88 2kb3 s ALA 57 Ca 0.38 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2kb3 s ALA 57 Cb 0.29 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2kb3 s ALA 57 CO 0.11 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2kb3 n GLY 58 N 1.03 0.52 3.76 0.00 0.00 0.51 -4.98 105.19 106.04 2kb3 n GLY 58 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.15 3.44 -0.10 4.61 0.00 -0.95 -4.89 121.76 121.72 2kb3 s ALA 59 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.16 2kb3 s ALA 59 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2kb3 s ALA 59 CO 0.00 0.16 -0.12 1.03 0.00 0.00 0.00 175.76 176.83 2kb3 s ARG 60 N -0.34 3.05 0.03 0.00 0.52 -1.26 -1.24 118.95 119.71 2kb3 s ARG 60 Ca 0.35 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 2kb3 s ARG 60 Cb -0.20 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.67 2kb3 s ARG 60 CO 0.21 0.41 -0.16 -0.06 0.02 0.00 0.00 175.30 175.72 2kb3 s PHE 61 N -0.15 1.39 0.01 -0.53 0.08 0.18 -4.98 117.98 113.98 2kb3 s PHE 61 Ca 0.00 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.77 2kb3 s PHE 61 Cb -0.13 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2kb3 s PHE 61 CO 0.03 0.04 -0.19 -0.48 -0.10 0.00 0.00 175.22 174.52 2kb3 s LEU 62 N -1.06 2.51 -0.56 -0.37 2.34 -1.26 -0.18 118.68 120.09 2kb3 s LEU 62 Ca 0.04 -0.40 -0.23 0.00 0.06 0.00 0.00 54.13 53.59 2kb3 s LEU 62 Cb -0.08 -1.48 0.05 0.00 -0.56 0.00 0.00 46.19 44.12 2kb3 s LEU 62 CO 0.01 0.29 0.91 -0.76 -1.06 0.00 0.00 176.35 175.74 2kb3 s LEU 63 N -1.14 4.23 -0.02 1.48 2.01 0.11 -4.80 118.68 120.54 2kb3 s LEU 63 Ca 0.13 -0.49 0.03 0.00 0.01 0.00 0.00 54.13 53.81 2kb3 s LEU 63 Cb -0.10 -2.74 0.04 0.00 0.01 0.00 0.00 46.19 43.40 2kb3 s LEU 63 CO 0.03 -1.22 0.88 -0.67 1.01 0.00 0.00 176.35 176.38 2kb3 n ASP 64 N 7.36 1.31 -3.84 2.29 2.03 -1.26 -3.43 116.55 121.01 2kb3 n ASP 64 Ca 0.00 -1.88 -0.11 0.00 0.52 0.00 0.00 54.79 53.33 2kb3 n ASP 64 Cb 0.47 -0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 40.70 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -0.91 0.66 0.61 -0.67 -2.07 -1.26 -5.04 119.66 110.98 2kb3 s GLN 65 Ca 0.05 -0.57 0.38 0.00 -1.82 0.00 0.00 55.36 53.40 2kb3 s GLN 65 Cb 0.04 0.28 1.97 0.00 -1.09 0.00 0.00 33.01 34.21 2kb3 s GLN 65 CO 0.00 -0.19 2.22 -1.00 -1.32 0.00 0.00 175.29 175.01 2kb3 h PRO 66 N 3.59 0.00 -3.62 9.60 0.13 -1.94 -3.41 132.00 136.36 2kb3 h PRO 66 Ca -0.32 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.41 2kb3 h PRO 66 Cb 1.19 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.94 2kb3 h PRO 66 CO 0.47 0.02 -0.76 0.99 -0.23 0.00 0.00 178.00 178.49 2kb3 s THR 67 N -4.08 0.23 -0.13 1.56 2.01 -1.26 -0.94 115.64 113.03 2kb3 s THR 67 Ca -0.03 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 2kb3 s THR 67 Cb 0.12 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.26 2kb3 s THR 67 CO 0.48 0.22 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.68 2kb3 s THR 68 N 1.85 1.03 0.32 -0.82 2.01 0.70 -5.01 115.64 115.73 2kb3 s THR 68 Ca 0.02 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 2kb3 s THR 68 Cb -0.12 -1.12 -0.08 0.00 0.01 0.00 0.00 72.50 71.19 2kb3 s THR 68 CO -0.04 0.27 0.70 0.42 -0.69 0.00 0.00 174.62 175.29 2kb3 s THR 69 N 1.69 4.75 -0.04 -0.82 -4.23 -1.26 0.11 115.64 115.84 2kb3 s THR 69 Ca 0.03 0.80 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 2kb3 s THR 69 Cb -0.14 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2kb3 s THR 69 CO -0.08 -0.22 -0.13 0.00 -0.54 0.00 0.00 174.62 173.65 2kb3 s ALA 70 N -2.02 1.18 0.00 3.99 0.00 0.62 -0.16 121.76 125.37 2kb3 s ALA 70 Ca 0.52 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2kb3 s ALA 70 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2kb3 s ALA 70 CO 0.20 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2kb3 n GLY 71 N 3.26 -0.19 3.43 0.00 0.00 -0.62 -2.35 105.19 108.72 2kb3 n GLY 71 Ca -0.18 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.73 1.56 0.00 1.61 3.52 0.19 0.21 118.95 124.31 2kb3 s ARG 72 Ca 0.00 -1.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 2kb3 s ARG 72 Cb 0.00 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 2kb3 s ARG 72 CO 0.00 0.44 0.00 0.72 -0.81 0.00 0.00 175.30 175.65 2kb3 n HIS 73 N 0.63 0.00 0.62 5.12 8.25 -1.26 -4.03 115.22 124.56 2kb3 n HIS 73 Ca -0.15 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.36 2kb3 n HIS 73 Cb 0.54 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.96 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 -0.26 0.26 0.23 -0.41 -0.02 -1.26 -1.23 135.00 132.31 2kb3 n PRO 74 Ca 0.00 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 2kb3 n PRO 74 Cb 0.00 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.42 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 -5.31 -0.52 5.08 -1.85 -3.42 114.58 108.55 2kb3 h GLU 75 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2kb3 h GLU 75 Cb 0.05 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.05 2kb3 h GLU 75 CO 0.00 0.16 -0.73 -1.12 -1.00 0.00 0.00 179.01 176.32 2kb3 s SER 76 N -6.08 4.31 0.13 1.42 0.01 -0.37 -4.76 113.70 108.36 2kb3 s SER 76 Ca 0.02 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 2kb3 s SER 76 Cb 0.09 -1.67 -0.12 0.00 0.21 0.00 0.00 66.02 64.53 2kb3 s SER 76 CO 0.63 0.17 1.29 -0.78 0.41 0.00 0.00 173.24 174.95 2kb3 h ASP 77 N 6.69 0.35 -2.87 2.44 3.58 -1.11 -3.38 116.42 122.12 2kb3 h ASP 77 Ca -0.28 -0.31 -0.67 0.00 0.42 0.00 0.00 57.03 56.20 2kb3 h ASP 77 Cb 1.20 -0.11 -0.17 0.00 1.72 0.00 0.00 39.33 41.97 2kb3 h ASP 77 CO 0.58 1.15 0.29 -0.63 -2.88 0.00 0.00 179.24 177.76 2kb3 s ILE 78 N -3.04 4.62 -0.37 2.25 -1.09 0.77 -4.98 121.20 119.36 2kb3 s ILE 78 Ca -0.04 -0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 57.53 2kb3 s ILE 78 Cb 0.09 -4.54 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 2kb3 s ILE 78 CO 0.85 -1.21 0.77 0.12 -1.23 0.00 0.00 174.94 174.24 2kb3 s PHE 79 N 3.27 3.10 -0.12 3.97 5.36 -1.26 -1.58 117.98 130.72 2kb3 s PHE 79 Ca 0.17 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 56.67 2kb3 s PHE 79 Cb -0.20 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 2kb3 s PHE 79 CO 0.09 -0.75 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.36 2kb3 s LEU 80 N 3.09 2.11 -0.28 6.12 1.43 0.13 -4.97 118.68 126.31 2kb3 s LEU 80 Ca 0.31 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2kb3 s LEU 80 Cb -0.13 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2kb3 s LEU 80 CO 0.17 0.12 0.10 -0.62 0.23 0.00 0.00 176.35 176.35 2kb3 s ASP 81 N 0.59 5.26 0.50 2.29 2.15 -1.26 -3.54 116.67 122.65 2kb3 s ASP 81 Ca -0.13 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.41 2kb3 s ASP 81 Cb -0.17 -1.94 -0.02 0.00 -0.30 0.00 0.00 42.92 40.50 2kb3 s ASP 81 CO 0.03 -0.13 0.01 -0.62 -0.17 0.00 0.00 175.17 174.29 2kb3 s ASP 82 N 1.58 4.11 0.23 -0.34 2.15 -1.26 -4.79 116.67 118.35 2kb3 s ASP 82 Ca 0.05 -1.62 -0.01 0.00 0.43 0.00 0.00 52.55 51.39 2kb3 s ASP 82 Cb -0.16 0.43 0.23 0.00 -0.30 0.00 0.00 42.92 43.11 2kb3 s ASP 82 CO 0.04 -0.82 1.60 0.58 -0.17 0.00 0.00 175.17 176.40 2kb3 h VAL 83 N 1.38 1.30 -2.95 1.11 2.07 -2.04 -3.43 116.25 113.69 2kb3 h VAL 83 Ca -0.44 -1.56 -0.58 0.00 0.82 0.00 0.00 66.70 64.94 2kb3 h VAL 83 Cb 1.31 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2kb3 h VAL 83 CO 0.75 0.49 -0.40 -0.89 0.02 0.00 0.00 177.57 177.53 2kb3 s THR 84 N -4.25 5.28 -0.68 2.57 2.01 -1.26 -5.04 115.64 114.27 2kb3 s THR 84 Ca -0.07 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 2kb3 s THR 84 Cb 0.12 -3.66 0.09 0.00 0.01 0.00 0.00 72.50 69.07 2kb3 s THR 84 CO 0.82 0.03 0.91 -0.69 -0.69 0.00 0.00 174.62 174.99 2kb3 s VAL 85 N -1.65 4.55 -1.25 3.82 1.01 -1.25 -4.92 120.40 120.71 2kb3 s VAL 85 Ca 0.38 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 2kb3 s VAL 85 Cb -0.12 -4.64 0.14 0.00 0.00 0.00 0.00 36.38 31.76 2kb3 s VAL 85 CO 0.27 -1.36 1.59 -1.20 0.00 0.00 0.00 175.10 174.41 2kb3 n SER 86 N 7.06 5.09 0.26 3.32 7.64 -1.26 -4.67 113.62 131.06 2kb3 n SER 86 Ca -0.01 -2.98 0.18 0.00 1.01 0.00 0.00 58.87 57.07 2kb3 n SER 86 Cb 0.45 -1.60 0.92 0.00 -1.01 0.00 0.00 64.21 62.96 2kb3 n SER 86 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2kb3 h ARG 87 N 7.01 0.00 -0.36 1.43 0.11 -1.92 0.56 114.38 121.21 2kb3 h ARG 87 Ca 0.37 0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.62 2kb3 h ARG 87 Cb 0.83 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.72 2kb3 h ARG 87 CO 1.37 0.00 -0.09 0.50 0.10 0.00 0.00 179.97 181.85 2kb3 s ARG 88 N -4.48 0.22 -0.25 0.08 3.52 -1.26 -4.35 118.95 112.43 2kb3 s ARG 88 Ca -0.05 0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.53 2kb3 s ARG 88 Cb 0.14 0.08 -0.11 0.00 -1.56 0.00 0.00 34.95 33.50 2kb3 s ARG 88 CO 0.49 -0.39 -0.33 1.58 -0.81 0.00 0.00 175.30 175.84 2kb3 n HIS 89 N 4.85 0.07 -4.32 5.12 -0.00 -0.99 -4.52 115.22 115.43 2kb3 n HIS 89 Ca 0.08 0.03 -0.21 0.00 -0.00 0.00 0.00 57.72 57.62 2kb3 n HIS 89 Cb 0.58 -0.90 -0.11 0.00 -0.00 0.00 0.00 29.99 29.56 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 1.93 -0.06 1.57 0.00 -1.07 -0.13 121.76 121.41 2kb3 s ALA 90 Ca -0.36 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.14 2kb3 s ALA 90 Cb 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2kb3 s ALA 90 CO 0.48 0.20 -0.09 -2.00 0.00 0.00 0.00 175.76 174.35 2kb3 s GLU 91 N -2.83 1.34 -0.24 0.00 2.12 0.87 -0.28 118.70 119.68 2kb3 s GLU 91 Ca 0.15 -0.28 -0.08 0.00 0.36 0.00 0.00 54.97 55.13 2kb3 s GLU 91 Cb -0.05 -1.19 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 2kb3 s GLU 91 CO 0.06 -0.04 0.08 -0.06 -0.54 0.00 0.00 175.26 174.76 2kb3 s PHE 92 N 0.84 3.12 0.05 5.30 0.08 0.12 -0.60 117.98 126.89 2kb3 s PHE 92 Ca -0.12 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.73 2kb3 s PHE 92 Cb -0.15 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.06 2kb3 s PHE 92 CO 0.02 -0.24 -0.20 1.03 -0.10 0.00 0.00 175.22 175.73 2kb3 s ARG 93 N 1.35 1.31 -0.36 0.44 0.52 0.44 -0.21 118.95 122.43 2kb3 s ARG 93 Ca 0.05 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 2kb3 s ARG 93 Cb -0.15 -1.44 0.02 0.00 0.52 0.00 0.00 34.95 33.90 2kb3 s ARG 93 CO 0.04 0.36 0.20 0.42 0.02 0.00 0.00 175.30 176.34 2kb3 s ILE 94 N -0.87 4.65 -0.07 1.52 1.09 -0.11 -0.32 121.20 127.09 2kb3 s ILE 94 Ca 0.07 -0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 58.85 2kb3 s ILE 94 Cb -0.09 -3.54 0.03 0.00 -1.06 0.00 0.00 42.46 37.80 2kb3 s ILE 94 CO 0.02 -0.17 0.05 0.21 -0.10 0.00 0.00 174.94 174.95 2kb3 s ASN 95 N 1.58 1.45 -1.46 3.58 2.47 0.74 -4.76 114.94 118.54 2kb3 s ASN 95 Ca 0.03 -0.07 -0.11 0.00 0.42 0.00 0.00 52.86 53.13 2kb3 s ASN 95 Cb -0.19 -0.24 0.07 0.00 -1.45 0.00 0.00 41.25 39.44 2kb3 s ASN 95 CO 0.07 -0.25 0.78 -0.62 -3.72 0.00 0.00 177.10 173.36 2kb3 n GLU 96 N 5.25 -4.86 -0.48 0.43 1.02 -1.26 -0.86 120.64 119.88 2kb3 n GLU 96 Ca -0.05 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2kb3 n GLU 96 Cb 0.50 -5.46 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 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 -1.52 1.23 3.76 0.62 0.00 -1.26 -5.03 105.19 102.99 2kb3 n GLY 97 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.30 2.83 -0.30 1.61 2.02 -0.04 -4.93 118.70 119.58 2kb3 s GLU 98 Ca 0.00 -0.72 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 2kb3 s GLU 98 Cb 0.00 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2kb3 s GLU 98 CO 0.00 0.56 0.14 -0.06 0.02 0.00 0.00 175.26 175.92 2kb3 s PHE 99 N -1.38 3.17 -0.07 1.61 0.40 -1.26 -0.18 117.98 120.26 2kb3 s PHE 99 Ca 0.29 -0.55 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 2kb3 s PHE 99 Cb -0.12 -2.34 -0.01 0.00 0.51 0.00 0.00 43.02 41.06 2kb3 s PHE 99 CO 0.21 -0.44 -0.21 -1.83 0.70 0.00 0.00 175.22 173.65 2kb3 s GLU 100 N 1.61 2.67 -0.26 0.44 -1.05 0.57 -1.64 118.70 121.05 2kb3 s GLU 100 Ca 0.05 -0.84 -0.09 0.00 -0.15 0.00 0.00 54.97 53.94 2kb3 s GLU 100 Cb -0.17 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.22 2kb3 s GLU 100 CO 0.06 0.40 0.12 0.08 0.95 0.00 0.00 175.26 176.87 2kb3 s VAL 101 N -0.18 4.76 -0.09 1.83 1.01 0.98 -0.42 120.40 128.29 2kb3 s VAL 101 Ca -0.02 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2kb3 s VAL 101 Cb -0.14 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 2kb3 s VAL 101 CO 0.03 0.31 -0.23 0.68 0.00 0.00 0.00 175.10 175.90 2kb3 s VAL 102 N 1.59 1.95 0.24 2.92 -7.23 0.23 -0.63 120.40 119.47 2kb3 s VAL 102 Ca 0.06 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2kb3 s VAL 102 Cb -0.15 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2kb3 s VAL 102 CO 0.06 0.54 0.40 1.51 -0.31 0.00 0.00 175.10 177.31 2kb3 s ASP 103 N 0.26 6.33 -0.08 4.85 1.47 0.15 -0.09 116.67 129.56 2kb3 s ASP 103 Ca -0.15 0.26 0.12 0.00 1.18 0.00 0.00 52.55 53.97 2kb3 s ASP 103 Cb -0.17 -1.95 0.24 0.00 -0.34 0.00 0.00 42.92 40.70 2kb3 s ASP 103 CO 0.07 -0.10 1.11 1.33 0.68 0.00 0.00 175.17 178.26 2kb3 n VAL 104 N -1.20 1.00 -3.14 2.11 0.24 0.81 -4.84 118.33 113.31 2kb3 n VAL 104 Ca -0.07 -1.46 -0.19 0.00 -2.04 0.00 0.00 64.34 60.59 2kb3 n VAL 104 Cb 0.56 0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 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 -0.59 3.10 0.00 7.63 0.00 -0.99 -4.86 105.19 109.47 2kb3 n GLY 105 Ca 0.09 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.71 2kb3 n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kb3 n SER 106 N 0.62 0.00 0.02 1.61 2.88 -1.26 -2.67 113.62 114.82 2kb3 n SER 106 Ca 0.22 0.19 -0.19 0.00 -1.33 0.00 0.00 58.87 57.76 2kb3 n SER 106 Cb 0.63 -0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kb3 h LEU 107 N 0.00 0.84 0.00 2.46 3.38 -1.99 -3.26 115.31 116.74 2kb3 h LEU 107 Ca 0.00 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 2kb3 h LEU 107 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kb3 h LEU 107 CO 0.00 1.44 -0.63 0.78 0.09 0.00 0.00 178.44 180.12 2kb3 h ASN 108 N 0.33 0.00 -2.67 -0.43 2.35 -1.83 -3.46 115.58 109.87 2kb3 h ASN 108 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2kb3 h ASN 108 Cb 1.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.91 2kb3 h ASN 108 CO 0.18 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 176.62 2kb3 n GLY 109 N 1.16 -2.41 3.72 2.83 0.00 -1.20 -4.48 105.19 104.80 2kb3 n GLY 109 Ca 0.01 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 5.00 -0.07 2.61 2.01 -1.25 -4.09 115.64 119.85 2kb3 s THR 110 Ca 0.00 1.56 0.06 0.00 0.31 0.00 0.00 61.69 63.62 2kb3 s THR 110 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2kb3 s THR 110 CO 0.00 0.25 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.62 2kb3 s TYR 111 N 0.77 2.46 -0.11 4.92 2.02 -0.55 -0.57 117.35 126.29 2kb3 s TYR 111 Ca 0.40 -0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2kb3 s TYR 111 Cb -0.18 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2kb3 s TYR 111 CO 0.20 -0.26 -0.07 0.08 -1.57 0.00 0.00 175.55 173.93 2kb3 s VAL 112 N -0.07 0.99 -1.43 0.71 1.01 0.49 0.13 120.40 122.23 2kb3 s VAL 112 Ca -0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2kb3 s VAL 112 Cb -0.15 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.26 2kb3 s VAL 112 CO 0.05 0.36 1.09 0.59 0.00 0.00 0.00 175.10 177.19 2kb3 n ASN 113 N 4.95 -5.80 -0.70 3.32 3.02 0.48 -1.63 115.26 118.90 2kb3 n ASN 113 Ca -0.12 -0.62 -0.09 0.00 -0.03 0.00 0.00 54.58 53.72 2kb3 n ASN 113 Cb 0.50 -4.58 -0.04 0.00 -0.61 0.00 0.00 39.78 35.05 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.86 -1.56 -3.79 3.52 1.74 -1.26 -4.98 116.66 105.47 2kb3 n ARG 114 Ca 0.02 0.80 -0.36 0.00 -0.77 0.00 0.00 57.85 57.53 2kb3 n ARG 114 Cb 0.55 -5.12 -0.11 0.00 -1.02 0.00 0.00 32.46 26.76 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 -2.67 3.85 0.04 5.56 0.41 -0.64 -5.04 118.70 120.21 2kb3 s GLU 115 Ca 0.00 -0.38 -0.30 0.00 -0.41 0.00 0.00 54.97 53.87 2kb3 s GLU 115 Cb 0.00 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 28.89 2kb3 s GLU 115 CO 0.00 -0.03 1.65 -2.14 -0.49 0.00 0.00 175.26 174.25 2kb3 s PRO 116 N 1.23 4.20 0.09 0.39 0.02 -1.26 -0.38 135.00 139.28 2kb3 s PRO 116 Ca 0.05 2.29 -0.02 0.00 0.02 0.00 0.00 61.00 63.34 2kb3 s PRO 116 Cb -0.14 -3.70 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 2kb3 s PRO 116 CO 0.04 -0.75 0.05 1.03 -0.33 0.00 0.00 177.00 177.04 2kb3 s ARG 117 N 2.98 0.79 -0.06 5.54 1.81 0.27 -4.94 118.95 125.33 2kb3 s ARG 117 Ca 0.74 -1.27 0.06 0.00 -1.72 0.00 0.00 55.73 53.54 2kb3 s ARG 117 Cb -0.38 0.25 -0.08 0.00 -0.45 0.00 0.00 34.95 34.29 2kb3 s ARG 117 CO 0.32 -0.20 0.02 0.09 -0.68 0.00 0.00 175.30 174.85 2kb3 n ASN 118 N -0.01 3.45 -3.88 0.23 4.13 -1.26 -3.87 115.26 114.05 2kb3 n ASN 118 Ca -0.11 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 55.99 2kb3 n ASN 118 Cb 0.62 0.67 -0.15 0.00 -1.54 0.00 0.00 39.78 39.38 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 -2.16 0.33 -0.18 5.41 0.00 -1.26 -0.68 121.76 123.22 2kb3 s ALA 119 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 2kb3 s ALA 119 Cb 0.02 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.98 2kb3 s ALA 119 CO 0.26 0.00 0.48 -1.14 0.00 0.00 0.00 175.76 175.36 2kb3 s GLN 120 N 0.48 0.55 -0.19 0.00 2.00 0.19 -4.98 119.66 117.71 2kb3 s GLN 120 Ca -0.05 0.71 -0.25 0.00 -2.00 0.00 0.00 55.36 53.77 2kb3 s GLN 120 Cb -0.08 0.23 -0.01 0.00 0.80 0.00 0.00 33.01 33.95 2kb3 s GLN 120 CO -0.01 -0.08 0.82 0.08 -0.50 0.00 0.00 175.29 175.60 2kb3 s VAL 121 N 0.44 4.88 -0.09 1.34 1.01 -1.26 -0.01 120.40 126.70 2kb3 s VAL 121 Ca -0.02 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 2kb3 s VAL 121 Cb -0.04 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2kb3 s VAL 121 CO -0.02 0.00 0.54 0.00 0.00 0.00 0.00 175.10 175.63 2kb3 s MET 122 N 2.35 4.36 0.18 2.72 0.23 -0.65 -4.98 119.30 123.50 2kb3 s MET 122 Ca 0.37 0.58 0.04 0.00 -1.03 0.00 0.00 55.69 55.65 2kb3 s MET 122 Cb -0.16 -3.43 -0.03 0.00 -1.53 0.00 0.00 34.83 29.68 2kb3 s MET 122 CO 0.11 0.16 0.26 -0.65 -2.03 0.00 0.00 175.02 172.86 2kb3 s GLN 123 N 0.58 3.27 0.07 3.16 -1.52 -1.26 -4.74 119.66 119.23 2kb3 s GLN 123 Ca 0.29 -0.73 -0.31 0.00 -1.95 0.00 0.00 55.36 52.67 2kb3 s GLN 123 Cb -0.16 -2.85 -0.08 0.00 -0.22 0.00 0.00 33.01 29.71 2kb3 s GLN 123 CO 0.13 0.49 1.52 -0.08 -0.25 0.00 0.00 175.29 177.10 2kb3 s THR 124 N -1.82 3.22 0.00 -0.19 -1.32 -1.26 -1.56 115.64 112.71 2kb3 s THR 124 Ca 0.33 0.74 0.00 0.00 -1.21 0.00 0.00 61.69 61.55 2kb3 s THR 124 Cb -0.10 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 2kb3 s THR 124 CO 0.27 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 2kb3 n GLY 125 N 3.77 0.18 3.83 6.08 0.00 0.21 -2.81 105.19 116.45 2kb3 n GLY 125 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.34 6.81 -0.16 1.61 1.01 -0.60 -4.52 116.67 118.48 2kb3 s ASP 126 Ca 0.00 1.63 -0.02 0.00 0.71 0.00 0.00 52.55 54.87 2kb3 s ASP 126 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2kb3 s ASP 126 CO 0.00 -0.44 -0.09 -1.83 0.21 0.00 0.00 175.17 173.02 2kb3 s GLU 127 N -3.52 3.45 -0.19 8.23 4.04 -1.26 -1.70 118.70 127.75 2kb3 s GLU 127 Ca 0.60 -0.63 -0.01 0.00 0.04 0.00 0.00 54.97 54.97 2kb3 s GLU 127 Cb -0.09 -2.79 -0.00 0.00 0.02 0.00 0.00 34.13 31.26 2kb3 s GLU 127 CO 0.20 0.12 -0.11 0.42 -1.84 0.00 0.00 175.26 174.05 2kb3 s ILE 128 N 0.63 2.89 -0.15 1.83 1.09 0.96 -0.38 121.20 128.06 2kb3 s ILE 128 Ca -0.05 -0.67 -0.04 0.00 -1.10 0.00 0.00 60.65 58.79 2kb3 s ILE 128 Cb -0.15 -2.27 -0.03 0.00 -1.06 0.00 0.00 42.46 38.95 2kb3 s ILE 128 CO 0.03 0.48 -0.02 -1.10 -0.10 0.00 0.00 174.94 174.23 2kb3 s GLN 129 N 1.16 3.64 -0.34 2.79 -0.21 0.12 -0.35 119.66 126.48 2kb3 s GLN 129 Ca 0.01 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 54.92 2kb3 s GLN 129 Cb -0.14 -2.94 0.09 0.00 1.00 0.00 0.00 33.01 31.01 2kb3 s GLN 129 CO -0.04 0.30 0.06 0.42 -2.12 0.00 0.00 175.29 173.91 2kb3 s ILE 130 N 0.22 2.64 0.00 1.08 1.09 -0.01 -1.49 121.20 124.73 2kb3 s ILE 130 Ca -0.01 -2.00 0.00 0.00 -1.10 0.00 0.00 60.65 57.54 2kb3 s ILE 130 Cb -0.14 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 2kb3 s ILE 130 CO 0.02 -0.45 0.00 0.61 -0.10 0.00 0.00 174.94 175.02 2kb3 n GLY 131 N 4.43 1.07 0.00 6.18 0.00 -1.26 -0.92 105.19 114.70 2kb3 n GLY 131 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 0.00 -3.23 1.61 2.85 -1.26 -2.28 118.16 115.85 2kb3 n LYS 132 Ca 0.00 -0.03 -0.39 0.00 -1.05 0.00 0.00 58.31 56.84 2kb3 n LYS 132 Cb 0.00 -0.06 -0.06 0.00 -0.65 0.00 0.00 35.03 34.26 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 0.00 3.39 -0.23 5.58 0.40 -0.09 -4.63 117.98 122.38 2kb3 s PHE 133 Ca 0.00 0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 2kb3 s PHE 133 Cb 0.00 -2.69 -0.00 0.00 0.51 0.00 0.00 43.02 40.84 2kb3 s PHE 133 CO 0.00 -0.09 -0.02 -0.98 0.70 0.00 0.00 175.22 174.82 2kb3 s ARG 134 N 1.60 3.29 -0.13 0.44 1.70 -0.74 -0.83 118.95 124.28 2kb3 s ARG 134 Ca 0.25 -0.69 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 2kb3 s ARG 134 Cb -0.15 -3.07 -0.03 0.00 -0.57 0.00 0.00 34.95 31.13 2kb3 s ARG 134 CO 0.10 -0.25 -0.02 -0.51 -1.08 0.00 0.00 175.30 173.53 2kb3 s LEU 135 N 1.47 3.36 -0.15 -1.89 1.02 0.53 -1.19 118.68 121.83 2kb3 s LEU 135 Ca 0.05 -0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 2kb3 s LEU 135 Cb -0.15 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2kb3 s LEU 135 CO -0.02 0.25 -0.07 -0.69 0.02 0.00 0.00 176.35 175.83 2kb3 s VAL 136 N -0.10 3.52 -0.02 -1.59 1.01 0.68 -0.03 120.40 123.87 2kb3 s VAL 136 Ca 0.03 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 2kb3 s VAL 136 Cb -0.13 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2kb3 s VAL 136 CO 0.02 0.50 0.61 0.12 0.00 0.00 0.00 175.10 176.35 2kb3 s PHE 137 N 0.45 3.66 0.16 5.22 5.36 -0.69 -0.49 117.98 131.66 2kb3 s PHE 137 Ca -0.06 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.15 2kb3 s PHE 137 Cb -0.15 -2.64 -0.05 0.00 -0.34 0.00 0.00 43.02 39.85 2kb3 s PHE 137 CO 0.04 0.30 -0.08 -0.51 -1.46 0.00 0.00 175.22 173.51 2kb3 s LEU 138 N -0.01 2.45 0.12 6.12 2.01 0.82 0.66 118.68 130.85 2kb3 s LEU 138 Ca 0.32 -1.06 -0.30 0.00 0.01 0.00 0.00 54.13 53.10 2kb3 s LEU 138 Cb -0.18 -0.31 -0.07 0.00 0.01 0.00 0.00 46.19 45.64 2kb3 s LEU 138 CO 0.17 -0.38 1.24 0.00 1.01 0.00 0.00 176.35 178.39 2kb3 s ALA 139 N -3.37 3.45 0.99 4.21 0.00 -1.26 -2.04 121.76 123.74 2kb3 s ALA 139 Ca 0.19 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2kb3 s ALA 139 Cb 0.03 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2kb3 s ALA 139 CO 0.02 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2kb3 n GLY 140 N 2.85 -0.88 3.77 0.00 0.00 -1.04 -4.61 105.19 105.29 2kb3 n GLY 140 Ca 0.08 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.11 3.98 -0.74 1.61 0.02 -1.26 -4.87 135.00 132.64 2kb3 s PRO 141 Ca 0.00 1.74 0.03 0.00 0.02 0.00 0.00 61.00 62.79 2kb3 s PRO 141 Cb 0.00 -2.55 0.29 0.00 0.02 0.00 0.00 34.50 32.26 2kb3 s PRO 141 CO 0.00 -0.36 1.06 0.00 -0.33 0.00 0.00 177.00 177.37 2kb3 n ALA 142 N -0.15 4.68 0.48 -1.55 0.00 -1.26 -4.57 120.51 118.13 2kb3 n ALA 142 Ca 0.05 -4.74 0.06 0.00 0.00 0.00 0.00 53.44 48.81 2kb3 n ALA 142 Cb 0.48 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.74 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59