#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 5.54 -0.50 7.83 1.04 -1.26 -4.23 113.70 122.12 2kb3 s SER 2 Ca 0.00 -1.68 -0.18 0.00 0.48 0.00 0.00 55.95 54.57 2kb3 s SER 2 Cb 0.00 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.60 2kb3 s SER 2 CO 0.00 -2.51 0.57 -0.62 0.98 0.00 0.00 173.24 171.66 2kb3 s ASP 3 N 6.13 6.21 -0.51 7.02 2.15 -1.26 -4.94 116.67 131.46 2kb3 s ASP 3 Ca 0.64 -0.98 -0.26 0.00 0.43 0.00 0.00 52.55 52.38 2kb3 s ASP 3 Cb -0.01 -2.27 -0.05 0.00 -0.30 0.00 0.00 42.92 40.29 2kb3 s ASP 3 CO 0.08 -0.83 2.24 0.20 -0.17 0.00 0.00 175.17 176.70 2kb3 s ASN 4 N 2.63 4.71 0.60 -0.34 0.01 -1.26 -4.33 114.94 116.96 2kb3 s ASN 4 Ca 0.13 0.90 -0.15 0.00 -0.71 0.00 0.00 52.86 53.03 2kb3 s ASN 4 Cb -0.20 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 38.92 2kb3 s ASN 4 CO 0.11 -2.70 1.05 0.20 -1.51 0.00 0.00 177.10 174.24 2kb3 s ASN 5 N 10.87 5.84 0.53 -1.22 -0.87 -1.26 -5.06 114.94 123.77 2kb3 s ASN 5 Ca 0.89 1.73 -0.01 0.00 -1.57 0.00 0.00 52.86 53.90 2kb3 s ASN 5 Cb -0.16 -2.52 0.02 0.00 -0.02 0.00 0.00 41.25 38.57 2kb3 s ASN 5 CO 0.25 -1.13 0.77 -0.83 -2.57 0.00 0.00 177.10 173.59 2kb3 s GLY 6 N -3.06 1.69 -0.39 0.66 0.00 -1.26 -5.04 107.32 99.92 2kb3 s GLY 6 Ca 0.62 -1.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.12 2kb3 s GLY 6 CO 0.40 -0.86 0.23 -0.51 0.00 0.00 0.00 173.10 172.36 2kb3 s THR 7 N -2.76 4.46 0.53 0.90 -4.23 -1.26 -5.06 115.64 108.22 2kb3 s THR 7 Ca 0.54 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 2kb3 s THR 7 Cb -0.10 -3.57 -0.07 0.00 1.34 0.00 0.00 72.50 70.10 2kb3 s THR 7 CO 0.40 -0.33 1.08 -2.16 -0.54 0.00 0.00 174.62 173.07 2kb3 s PRO 8 N 1.51 3.53 -0.23 3.99 0.04 -1.26 -5.00 135.00 137.58 2kb3 s PRO 8 Ca 0.02 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 2kb3 s PRO 8 Cb -0.21 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2kb3 s PRO 8 CO 0.05 -0.68 1.07 -1.21 0.04 0.00 0.00 177.00 176.28 2kb3 s GLU 9 N -3.36 4.24 0.71 4.56 8.01 -1.26 -5.02 118.70 126.58 2kb3 s GLU 9 Ca 0.69 1.37 -0.11 0.00 0.01 0.00 0.00 54.97 56.94 2kb3 s GLU 9 Cb -0.20 -3.66 0.02 0.00 -4.31 0.00 0.00 34.13 25.98 2kb3 s GLU 9 CO 0.25 -0.66 1.07 -1.25 0.01 0.00 0.00 175.26 174.67 2kb3 s PRO 10 N 3.28 2.80 0.45 0.39 0.04 -1.26 -5.05 135.00 135.64 2kb3 s PRO 10 Ca 0.45 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2kb3 s PRO 10 Cb -0.16 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2kb3 s PRO 10 CO 0.08 -1.21 0.69 -0.65 0.04 0.00 0.00 177.00 175.95 2kb3 s GLN 11 N -5.02 3.24 -0.22 4.56 -0.21 -1.26 -5.06 119.66 115.69 2kb3 s GLN 11 Ca 0.59 -0.27 -0.06 0.00 0.02 0.00 0.00 55.36 55.64 2kb3 s GLN 11 Cb -0.15 -2.52 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 2kb3 s GLN 11 CO 0.55 -0.20 0.02 0.08 -2.12 0.00 0.00 175.29 173.62 2kb3 s VAL 12 N -2.58 3.99 -0.03 1.09 1.01 -1.26 -4.78 120.40 117.84 2kb3 s VAL 12 Ca 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2kb3 s VAL 12 Cb -0.10 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.46 2kb3 s VAL 12 CO 0.39 0.39 0.06 -0.70 0.00 0.00 0.00 175.10 175.25 2kb3 s GLU 13 N 1.34 0.06 0.64 2.72 2.56 -1.26 -5.14 118.70 119.62 2kb3 s GLU 13 Ca 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 54.97 55.02 2kb3 s GLU 13 Cb -0.15 -0.01 0.15 0.00 2.00 0.00 0.00 34.13 36.13 2kb3 s GLU 13 CO 0.01 -0.03 0.75 2.41 -0.56 0.00 0.00 175.26 177.84 2kb3 n THR 14 N 3.23 0.00 -3.72 -1.70 -1.04 -1.26 -4.91 114.28 104.88 2kb3 n THR 14 Ca -0.15 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.25 2kb3 n THR 14 Cb 0.58 -1.51 -0.07 0.00 -1.82 0.00 0.00 70.33 67.51 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 -3.69 -0.22 -0.35 8.00 0.01 -1.26 -4.93 113.70 111.26 2kb3 s SER 16 Ca 0.44 0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.44 2kb3 s SER 16 Cb -0.02 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.59 2kb3 s SER 16 CO 0.32 -0.57 0.98 -0.69 0.41 0.00 0.00 173.24 173.68 2kb3 s VAL 17 N -2.04 4.56 -0.01 3.43 1.01 -1.26 -4.65 120.40 121.44 2kb3 s VAL 17 Ca -0.08 1.40 0.07 0.00 0.00 0.00 0.00 61.98 63.37 2kb3 s VAL 17 Cb -0.02 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2kb3 s VAL 17 CO 0.00 -0.50 -0.21 0.72 0.00 0.00 0.00 175.10 175.11 2kb3 s PHE 18 N 3.53 1.89 -0.69 5.22 -0.71 -1.17 -5.07 117.98 120.97 2kb3 s PHE 18 Ca 0.41 -0.36 -0.16 0.00 -1.04 0.00 0.00 56.93 55.77 2kb3 s PHE 18 Cb -0.12 -1.20 0.15 0.00 -1.21 0.00 0.00 43.02 40.64 2kb3 s PHE 18 CO 0.17 -0.01 0.71 -0.98 -1.34 0.00 0.00 175.22 173.77 2kb3 s ARG 19 N -0.61 3.28 0.69 1.99 1.70 -1.26 -4.63 118.95 120.11 2kb3 s ARG 19 Ca 0.08 -1.87 -0.13 0.00 -0.47 0.00 0.00 55.73 53.34 2kb3 s ARG 19 Cb -0.08 -4.40 0.01 0.00 -0.57 0.00 0.00 34.95 29.91 2kb3 s ARG 19 CO -0.00 -1.42 1.10 0.00 -1.08 0.00 0.00 175.30 173.89 2kb3 s ALA 20 N 1.51 2.44 -2.00 7.88 0.00 -1.26 -4.90 121.76 125.43 2kb3 s ALA 20 Ca 0.13 0.42 0.10 0.00 0.00 0.00 0.00 51.96 52.61 2kb3 s ALA 20 Cb -0.19 -3.29 0.59 0.00 0.00 0.00 0.00 23.12 20.23 2kb3 s ALA 20 CO -0.02 -1.38 1.01 -0.40 0.00 0.00 0.00 175.76 174.97 2kb3 n ASP 21 N -2.77 0.00 0.12 0.00 5.75 -1.26 -3.17 116.55 115.22 2kb3 n ASP 21 Ca 0.10 -0.48 0.10 0.00 -0.01 0.00 0.00 54.79 54.50 2kb3 n ASP 21 Cb 0.52 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 41.07 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb3 n LEU 22 N -0.89 0.50 0.28 -2.12 -0.00 -1.26 -1.48 117.00 112.02 2kb3 n LEU 22 Ca 0.07 0.67 0.18 0.00 -0.00 0.00 0.00 56.01 56.93 2kb3 n LEU 22 Cb 0.03 -0.65 0.74 0.00 -0.00 0.00 0.00 43.42 43.54 2kb3 n LEU 22 CO 0.06 -0.66 1.01 0.17 -0.00 0.00 0.00 177.39 177.97 2kb3 h LEU 23 N 0.00 0.00 -0.81 1.47 -0.00 -1.94 -0.20 115.31 113.83 2kb3 h LEU 23 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2kb3 h LEU 23 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2kb3 h LEU 23 CO 0.00 0.00 -0.18 0.11 -0.00 0.00 0.00 178.44 178.37 2kb3 h LYS 24 N 0.00 0.00 0.00 0.17 6.56 -1.57 -1.58 116.57 120.16 2kb3 h LYS 24 Ca 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 2kb3 h LYS 24 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.08 2kb3 h LYS 24 CO 0.00 0.18 -0.85 0.93 -2.06 0.00 0.00 179.45 177.65 2kb3 h GLU 25 N 0.00 0.00 -0.17 3.15 4.39 -1.18 0.38 114.58 121.15 2kb3 h GLU 25 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kb3 h GLU 25 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2kb3 h GLU 25 CO 0.02 0.85 0.02 1.98 -1.16 0.00 0.00 179.01 180.73 2kb3 h MET 26 N 0.00 0.28 -0.85 2.33 1.85 -1.20 -1.58 114.93 115.76 2kb3 h MET 26 Ca -0.01 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 58.97 2kb3 h MET 26 Cb 1.51 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.47 2kb3 h MET 26 CO 0.11 0.46 0.41 1.49 -0.40 0.00 0.00 176.91 178.98 2kb3 h GLU 27 N 0.07 1.22 -0.86 0.39 4.81 -1.14 -0.46 114.58 118.61 2kb3 h GLU 27 Ca 0.05 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kb3 h GLU 27 Cb 0.31 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2kb3 h GLU 27 CO 0.00 0.93 0.52 1.03 -0.73 0.00 0.00 179.01 180.77 2kb3 h SER 28 N 1.21 1.03 1.51 1.04 0.87 -0.09 -1.62 113.55 117.50 2kb3 h SER 28 Ca 0.29 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kb3 h SER 28 Cb 0.11 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2kb3 h SER 28 CO -0.04 0.79 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.64 2kb3 h SER 29 N 1.19 0.00 -1.55 6.23 0.87 -0.77 -3.47 113.55 116.04 2kb3 h SER 29 Ca 0.31 -0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.66 2kb3 h SER 29 Cb -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kb3 h SER 29 CO -0.06 0.01 -0.24 0.41 -0.53 0.00 0.00 176.83 176.43 2kb3 n THR 30 N -2.50 -0.56 0.00 2.23 -1.04 -0.44 -4.81 114.28 107.17 2kb3 n THR 30 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2kb3 n THR 30 Cb 0.47 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 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 -1.03 0.57 3.77 3.41 0.00 -0.31 -5.01 105.19 106.58 2kb3 n GLY 31 Ca -0.09 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.32 4.53 -0.34 2.61 -1.32 -1.26 -4.77 115.64 112.78 2kb3 s THR 32 Ca 0.00 1.64 -0.27 0.00 -1.21 0.00 0.00 61.69 61.85 2kb3 s THR 32 Cb 0.00 -4.11 0.01 0.00 -1.51 0.00 0.00 72.50 66.89 2kb3 s THR 32 CO 0.00 0.47 0.96 0.00 -2.21 0.00 0.00 174.62 173.84 2kb3 s ALA 33 N -0.74 3.46 0.32 11.08 0.00 -1.25 -5.02 121.76 129.62 2kb3 s ALA 33 Ca 0.36 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 2kb3 s ALA 33 Cb -0.22 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 2kb3 s ALA 33 CO 0.24 -1.50 1.05 -1.25 0.00 0.00 0.00 175.76 174.31 2kb3 s PRO 34 N 3.47 4.48 -0.06 0.00 0.04 -1.26 -4.84 135.00 136.84 2kb3 s PRO 34 Ca 0.40 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2kb3 s PRO 34 Cb -0.12 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.51 2kb3 s PRO 34 CO 0.17 0.12 -0.04 0.00 0.04 0.00 0.00 177.00 177.29 2kb3 s ALA 35 N -1.38 0.75 0.00 8.56 0.00 -1.26 -4.95 121.76 123.47 2kb3 s ALA 35 Ca 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2kb3 s ALA 35 Cb -0.27 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2kb3 s ALA 35 CO 0.34 -0.15 0.00 -1.13 0.00 0.00 0.00 175.76 174.82 2kb3 n SER 36 N 4.38 0.00 -1.00 0.00 3.41 -1.26 -5.00 113.62 114.16 2kb3 n SER 36 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2kb3 n SER 36 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2kb3 n SER 36 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kb3 n THR 37 N 0.00 0.00 -3.81 6.66 -2.24 -1.26 -4.96 114.28 108.67 2kb3 n THR 37 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kb3 n THR 37 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb3 n GLY 38 N 0.00 -0.54 0.09 3.38 0.00 -1.26 -4.87 105.19 101.99 2kb3 n GLY 38 Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.05 2.48 0.51 4.61 0.00 -1.26 -4.12 120.51 122.69 2kb3 n ALA 39 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.18 2kb3 n ALA 39 Cb 0.00 -1.01 0.35 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.63 0.03 0.09 0.00 0.28 -1.26 -3.11 120.64 114.03 2kb3 n GLU 40 Ca -0.02 0.26 -0.14 0.00 -0.16 0.00 0.00 57.16 57.10 2kb3 n GLU 40 Cb 0.60 -1.56 -0.14 0.00 1.43 0.00 0.00 31.44 31.78 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 0.31 -3.04 -1.84 -1.07 -1.90 -3.38 115.58 104.67 2kb3 h ASN 41 Ca 0.00 -0.34 -0.61 0.00 0.07 0.00 0.00 56.30 55.42 2kb3 h ASN 41 Cb 0.28 -0.10 -0.40 0.00 -2.07 0.00 0.00 38.32 36.03 2kb3 h ASN 41 CO 0.00 1.27 -0.73 -0.76 0.07 0.00 0.00 177.43 177.28 2kb3 s LEU 42 N -7.02 3.30 0.00 6.14 2.01 -1.18 -4.56 118.68 117.37 2kb3 s LEU 42 Ca -0.03 -3.30 0.00 0.00 0.01 0.00 0.00 54.13 50.81 2kb3 s LEU 42 Cb 0.08 -1.14 0.00 0.00 0.01 0.00 0.00 46.19 45.13 2kb3 s LEU 42 CO 0.87 -0.16 0.09 -2.65 1.01 0.00 0.00 176.35 175.51 2kb3 n PRO 43 N 2.65 0.00 0.00 1.29 -0.02 -1.25 -4.62 135.00 133.05 2kb3 n PRO 43 Ca 0.19 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 2kb3 n PRO 43 Cb 0.38 -0.73 -0.04 0.00 -0.02 0.00 0.00 33.50 33.09 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 n ALA 44 N -1.00 3.65 -0.38 3.55 0.00 -0.60 -4.88 120.51 120.85 2kb3 n ALA 44 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2kb3 n ALA 44 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.29 0.77 3.26 0.00 0.00 -1.26 -4.89 105.19 104.36 2kb3 n GLY 45 Ca 0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.31 2.37 0.09 1.61 0.01 -1.26 -4.72 113.70 109.48 2kb3 s SER 46 Ca 0.00 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.46 2kb3 s SER 46 Cb 0.00 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.13 2kb3 s SER 46 CO 0.00 0.05 0.36 0.00 0.41 0.00 0.00 173.24 174.06 2kb3 s ALA 47 N -1.13 -0.82 0.01 1.44 0.00 -0.70 -3.41 121.76 117.15 2kb3 s ALA 47 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.06 2kb3 s ALA 47 Cb -0.10 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2kb3 s ALA 47 CO 0.04 -0.54 -0.21 -0.48 0.00 0.00 0.00 175.76 174.57 2kb3 s LEU 48 N -2.48 2.10 -0.07 0.00 -0.00 0.10 0.22 118.68 118.55 2kb3 s LEU 48 Ca -0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 54.13 53.69 2kb3 s LEU 48 Cb 0.01 -1.04 -0.03 0.00 -0.00 0.00 0.00 46.19 45.14 2kb3 s LEU 48 CO -0.08 0.22 -0.06 -1.48 -0.00 0.00 0.00 176.35 174.94 2kb3 s LEU 49 N -0.80 3.20 -0.08 1.48 0.05 0.56 -0.34 118.68 122.74 2kb3 s LEU 49 Ca 0.08 -0.02 0.05 0.00 0.05 0.00 0.00 54.13 54.29 2kb3 s LEU 49 Cb -0.08 -1.70 -0.01 0.00 -2.05 0.00 0.00 46.19 42.35 2kb3 s LEU 49 CO 0.00 0.35 -0.24 0.54 -0.55 0.00 0.00 176.35 176.46 2kb3 s VAL 50 N -0.74 2.13 -0.30 1.48 0.11 0.33 -0.14 120.40 123.28 2kb3 s VAL 50 Ca 0.11 -1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 57.87 2kb3 s VAL 50 Cb -0.11 -1.80 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2kb3 s VAL 50 CO 0.02 0.56 1.00 -0.69 -3.33 0.00 0.00 175.10 172.66 2kb3 s VAL 51 N 0.09 4.62 -0.04 2.04 1.01 -0.59 -0.23 120.40 127.30 2kb3 s VAL 51 Ca -0.11 1.68 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 2kb3 s VAL 51 Cb -0.16 -4.33 -0.29 0.00 0.00 0.00 0.00 36.38 31.61 2kb3 s VAL 51 CO 0.06 -0.35 0.70 0.50 0.00 0.00 0.00 175.10 176.00 2kb3 h LYS 52 N 7.95 0.32 -2.99 2.72 1.63 -1.42 -1.70 116.57 123.09 2kb3 h LYS 52 Ca -0.21 -0.55 -0.16 0.00 -0.85 0.00 0.00 60.65 58.88 2kb3 h LYS 52 Cb 1.07 0.20 -0.26 0.00 -0.60 0.00 0.00 32.23 32.64 2kb3 h LYS 52 CO 0.98 1.21 -0.39 0.50 -3.45 0.00 0.00 179.45 178.31 2kb3 s ARG 53 N -2.59 0.32 0.00 1.90 6.06 -1.13 -4.69 118.95 118.82 2kb3 s ARG 53 Ca -0.14 0.47 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 2kb3 s ARG 53 Cb 0.06 0.09 0.00 0.00 0.06 0.00 0.00 34.95 35.16 2kb3 s ARG 53 CO 0.84 -0.08 0.00 0.41 -2.50 0.00 0.00 175.30 173.98 2kb3 n GLY 54 N 3.33 -0.30 0.19 8.12 0.00 -1.26 -1.33 105.19 113.94 2kb3 n GLY 54 Ca -0.17 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 4.12 0.57 -0.78 1.61 0.11 -2.00 -2.80 132.00 132.84 2kb3 h PRO 55 Ca 0.00 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 2kb3 h PRO 55 Cb 0.00 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 30.95 2kb3 h PRO 55 CO 0.00 0.56 0.15 0.27 -0.21 0.00 0.00 178.00 178.78 2kb3 n ASN 56 N -4.65 4.30 -4.70 -2.05 6.94 -1.26 -4.98 115.26 108.86 2kb3 n ASN 56 Ca -0.01 -2.87 -0.43 0.00 -0.02 0.00 0.00 54.58 51.26 2kb3 n ASN 56 Cb 0.16 -0.68 -0.01 0.00 -2.36 0.00 0.00 39.78 36.89 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 n ALA 57 N 0.10 1.33 0.00 -2.53 0.00 -1.06 -2.24 120.51 116.11 2kb3 n ALA 57 Ca 0.29 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2kb3 n ALA 57 Cb 1.10 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.10 2.64 3.87 0.00 0.00 -0.64 -4.98 105.19 107.19 2kb3 n GLY 58 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.56 3.55 0.13 4.61 0.00 -0.95 -4.91 121.76 121.64 2kb3 s ALA 59 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.77 2kb3 s ALA 59 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2kb3 s ALA 59 CO 0.00 0.49 -0.18 -0.98 0.00 0.00 0.00 175.76 175.09 2kb3 s ARG 60 N -2.86 1.15 -0.07 0.00 1.70 -1.26 -1.55 118.95 116.07 2kb3 s ARG 60 Ca 0.48 -1.28 0.02 0.00 -0.47 0.00 0.00 55.73 54.48 2kb3 s ARG 60 Cb -0.11 -1.21 0.01 0.00 -0.57 0.00 0.00 34.95 33.07 2kb3 s ARG 60 CO 0.21 0.25 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.50 2kb3 s PHE 61 N -1.82 1.53 -0.15 5.89 0.08 0.80 -4.96 117.98 119.35 2kb3 s PHE 61 Ca 0.11 -0.56 -0.14 0.00 0.12 0.00 0.00 56.93 56.45 2kb3 s PHE 61 Cb -0.07 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 2kb3 s PHE 61 CO 0.05 -0.28 0.32 -1.17 -0.10 0.00 0.00 175.22 174.04 2kb3 s LEU 62 N 0.62 4.26 -0.41 -0.37 2.96 -1.26 -0.32 118.68 124.16 2kb3 s LEU 62 Ca -0.15 0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 54.25 2kb3 s LEU 62 Cb -0.16 -2.42 0.08 0.00 0.50 0.00 0.00 46.19 44.19 2kb3 s LEU 62 CO 0.04 0.10 0.24 -0.76 -1.32 0.00 0.00 176.35 174.65 2kb3 s LEU 63 N 0.38 5.06 -0.03 -0.68 2.01 0.13 -4.83 118.68 120.73 2kb3 s LEU 63 Ca 0.18 -1.49 0.05 0.00 0.01 0.00 0.00 54.13 52.88 2kb3 s LEU 63 Cb -0.13 -1.97 0.08 0.00 0.01 0.00 0.00 46.19 44.17 2kb3 s LEU 63 CO 0.05 -0.51 0.92 -0.67 1.01 0.00 0.00 176.35 177.15 2kb3 n ASP 64 N 4.89 1.15 -4.57 2.29 2.03 -1.26 -1.73 116.55 119.35 2kb3 n ASP 64 Ca -0.10 -2.04 -0.26 0.00 0.52 0.00 0.00 54.79 52.91 2kb3 n ASP 64 Cb 0.43 -0.16 -0.09 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.02 2.07 0.24 -0.67 -2.07 -1.26 -1.38 119.66 115.57 2kb3 s GLN 65 Ca 0.08 -1.29 0.24 0.00 -1.82 0.00 0.00 55.36 52.57 2kb3 s GLN 65 Cb 0.07 -2.15 0.94 0.00 -1.09 0.00 0.00 33.01 30.78 2kb3 s GLN 65 CO 0.01 0.43 1.73 -0.35 -1.32 0.00 0.00 175.29 175.78 2kb3 n PRO 66 N -0.05 0.21 -3.68 9.60 -0.04 -1.26 -4.57 135.00 135.21 2kb3 n PRO 66 Ca -0.10 0.36 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 2kb3 n PRO 66 Cb 0.56 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2kb3 n PRO 66 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kb3 s THR 67 N -3.25 -0.09 -0.08 0.52 2.01 -1.26 -0.15 115.64 113.34 2kb3 s THR 67 Ca 0.06 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.15 2kb3 s THR 67 Cb 0.10 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2kb3 s THR 67 CO 0.45 0.03 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.43 2kb3 s THR 68 N 1.58 0.98 -0.11 -0.82 2.01 0.43 -4.85 115.64 114.86 2kb3 s THR 68 Ca -0.09 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 2kb3 s THR 68 Cb -0.08 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2kb3 s THR 68 CO -0.14 0.33 0.53 -0.89 -0.69 0.00 0.00 174.62 173.77 2kb3 s THR 69 N 1.03 5.15 -0.07 -0.82 2.01 -1.26 -0.25 115.64 121.43 2kb3 s THR 69 Ca -0.08 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.04 2kb3 s THR 69 Cb -0.15 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2kb3 s THR 69 CO -0.00 0.30 -0.23 0.00 -0.69 0.00 0.00 174.62 173.99 2kb3 s ALA 70 N 0.74 2.24 0.00 7.40 0.00 -0.23 -3.46 121.76 128.46 2kb3 s ALA 70 Ca 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2kb3 s ALA 70 Cb -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2kb3 s ALA 70 CO 0.12 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2kb3 n GLY 71 N 3.02 -0.85 3.43 0.00 0.00 -1.26 -0.49 105.19 109.04 2kb3 n GLY 71 Ca -0.18 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 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 3.50 -0.20 1.61 3.52 0.12 -3.87 118.95 121.63 2kb3 s ARG 72 Ca 0.00 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.71 2kb3 s ARG 72 Cb 0.00 -3.39 0.15 0.00 -1.56 0.00 0.00 34.95 30.14 2kb3 s ARG 72 CO 0.00 -0.28 1.14 -1.01 -0.81 0.00 0.00 175.30 174.34 2kb3 s HIS 73 N 1.60 -0.23 -0.23 5.12 3.76 -1.26 -4.57 115.29 119.48 2kb3 s HIS 73 Ca 0.05 0.35 0.28 0.00 -0.15 0.00 0.00 55.06 55.59 2kb3 s HIS 73 Cb -0.16 0.48 1.09 0.00 1.11 0.00 0.00 32.58 35.10 2kb3 s HIS 73 CO 0.04 -0.24 1.83 -1.35 -0.85 0.00 0.00 174.74 174.18 2kb3 h PRO 74 N 2.29 0.00 0.00 8.40 0.11 -1.99 -2.79 132.00 138.01 2kb3 h PRO 74 Ca -0.14 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.85 2kb3 h PRO 74 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2kb3 h PRO 74 CO 0.27 0.00 -0.58 0.93 -0.21 0.00 0.00 178.00 178.41 2kb3 h GLU 75 N 0.00 0.00 -6.63 1.05 4.39 -1.97 -3.44 114.58 107.97 2kb3 h GLU 75 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2kb3 h GLU 75 Cb 0.52 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2kb3 h GLU 75 CO 0.00 0.58 0.74 -1.12 -1.16 0.00 0.00 179.01 178.04 2kb3 s SER 76 N -6.54 6.77 0.17 1.42 0.01 -1.05 -4.90 113.70 109.58 2kb3 s SER 76 Ca 0.02 2.47 -0.11 0.00 1.31 0.00 0.00 55.95 59.64 2kb3 s SER 76 Cb 0.10 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.80 2kb3 s SER 76 CO 0.74 -0.66 1.68 -0.78 0.41 0.00 0.00 173.24 174.64 2kb3 h ASP 77 N 6.04 0.93 -3.59 2.44 1.82 -1.86 -3.38 116.42 118.82 2kb3 h ASP 77 Ca -0.44 -0.24 -0.66 0.00 -0.39 0.00 0.00 57.03 55.31 2kb3 h ASP 77 Cb 1.21 -0.25 -0.24 0.00 0.68 0.00 0.00 39.33 40.73 2kb3 h ASP 77 CO 0.83 0.93 -0.64 0.27 -1.61 0.00 0.00 179.24 179.02 2kb3 s ILE 78 N -5.28 4.07 -0.45 2.25 -4.36 -1.25 -5.05 121.20 111.12 2kb3 s ILE 78 Ca -0.12 -0.35 -0.22 0.00 -0.26 0.00 0.00 60.65 59.70 2kb3 s ILE 78 Cb 0.13 -2.94 0.03 0.00 1.25 0.00 0.00 42.46 40.93 2kb3 s ILE 78 CO 0.82 0.29 0.71 0.12 0.24 0.00 0.00 174.94 177.12 2kb3 s PHE 79 N 1.57 3.02 -0.03 1.37 5.36 -1.26 -4.39 117.98 123.61 2kb3 s PHE 79 Ca 0.05 -0.02 0.06 0.00 -0.96 0.00 0.00 56.93 56.07 2kb3 s PHE 79 Cb -0.15 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 38.99 2kb3 s PHE 79 CO 0.02 -0.95 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.12 2kb3 s LEU 80 N 3.03 2.39 -0.27 6.12 1.43 -1.25 -4.98 118.68 125.14 2kb3 s LEU 80 Ca 0.25 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2kb3 s LEU 80 Cb -0.14 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2kb3 s LEU 80 CO 0.20 0.33 0.09 -0.62 0.23 0.00 0.00 176.35 176.58 2kb3 s ASP 81 N -0.72 5.22 0.48 2.29 2.15 -1.26 -4.09 116.67 120.74 2kb3 s ASP 81 Ca 0.11 -0.41 0.08 0.00 0.43 0.00 0.00 52.55 52.76 2kb3 s ASP 81 Cb -0.10 -1.93 0.03 0.00 -0.30 0.00 0.00 42.92 40.62 2kb3 s ASP 81 CO 0.00 -0.11 0.58 -0.62 -0.17 0.00 0.00 175.17 174.85 2kb3 s ASP 82 N 1.58 5.22 0.38 -0.34 2.15 -1.26 -4.54 116.67 119.87 2kb3 s ASP 82 Ca 0.05 -0.73 0.11 0.00 0.43 0.00 0.00 52.55 52.41 2kb3 s ASP 82 Cb -0.16 -0.20 0.75 0.00 -0.30 0.00 0.00 42.92 43.01 2kb3 s ASP 82 CO 0.04 -0.97 1.86 0.58 -0.17 0.00 0.00 175.17 176.51 2kb3 h VAL 83 N 0.58 1.23 -2.03 1.11 2.07 -1.96 -3.43 116.25 113.83 2kb3 h VAL 83 Ca -0.37 -1.06 -0.59 0.00 0.82 0.00 0.00 66.70 65.50 2kb3 h VAL 83 Cb 1.28 1.49 -0.12 0.00 -1.52 0.00 0.00 31.29 32.43 2kb3 h VAL 83 CO 0.48 0.31 -0.66 -0.89 0.02 0.00 0.00 177.57 176.83 2kb3 s THR 84 N -4.41 2.65 -0.79 2.57 2.01 -1.26 -5.04 115.64 111.36 2kb3 s THR 84 Ca -0.04 -2.10 -0.24 0.00 0.31 0.00 0.00 61.69 59.62 2kb3 s THR 84 Cb 0.15 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 70.04 2kb3 s THR 84 CO 0.73 -0.27 1.21 -0.69 -0.69 0.00 0.00 174.62 174.91 2kb3 s VAL 85 N -2.50 4.04 -0.12 3.82 1.01 -1.26 -4.91 120.40 120.47 2kb3 s VAL 85 Ca 0.33 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2kb3 s VAL 85 Cb -0.02 -4.87 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 2kb3 s VAL 85 CO 0.18 -1.72 0.38 -0.94 0.00 0.00 0.00 175.10 172.99 2kb3 s SER 86 N 3.96 6.58 -0.03 3.32 1.04 -1.26 -4.83 113.70 122.48 2kb3 s SER 86 Ca 0.33 0.68 -0.24 0.00 0.48 0.00 0.00 55.95 57.21 2kb3 s SER 86 Cb -0.09 -2.23 -0.22 0.00 0.10 0.00 0.00 66.02 63.59 2kb3 s SER 86 CO 0.06 0.10 1.10 0.03 0.98 0.00 0.00 173.24 175.51 2kb3 h ARG 87 N 6.40 0.19 -2.41 4.02 3.08 -1.86 0.35 114.38 124.15 2kb3 h ARG 87 Ca -0.43 -0.17 -0.17 0.00 0.07 0.00 0.00 59.98 59.28 2kb3 h ARG 87 Cb 1.18 0.04 -0.31 0.00 0.08 0.00 0.00 29.97 30.96 2kb3 h ARG 87 CO 0.73 0.85 -0.48 1.03 -1.07 0.00 0.00 179.97 181.03 2kb3 s ARG 88 N -3.43 0.27 -0.27 0.04 0.52 -1.26 -4.34 118.95 110.48 2kb3 s ARG 88 Ca -0.16 0.69 -0.10 0.00 -0.52 0.00 0.00 55.73 55.65 2kb3 s ARG 88 Cb 0.02 -0.22 -0.14 0.00 0.52 0.00 0.00 34.95 35.12 2kb3 s ARG 88 CO 0.74 -0.44 -0.28 1.58 0.02 0.00 0.00 175.30 176.92 2kb3 n HIS 89 N 5.36 0.08 -3.91 -0.53 -0.00 0.36 -3.57 115.22 113.02 2kb3 n HIS 89 Ca -0.06 0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.59 2kb3 n HIS 89 Cb 0.50 -1.01 -0.10 0.00 -0.00 0.00 0.00 29.99 29.38 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 -2.51 -0.16 -0.06 1.57 0.00 -1.08 -1.34 121.76 118.19 2kb3 s ALA 90 Ca -0.37 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2kb3 s ALA 90 Cb 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2kb3 s ALA 90 CO 0.53 -0.23 -0.21 -2.00 0.00 0.00 0.00 175.76 173.84 2kb3 s GLU 91 N -1.79 2.25 -0.24 0.00 2.12 0.65 -1.06 118.70 120.63 2kb3 s GLU 91 Ca -0.12 -0.76 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 2kb3 s GLU 91 Cb -0.06 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 2kb3 s GLU 91 CO -0.01 0.29 0.08 -0.06 -0.54 0.00 0.00 175.26 175.02 2kb3 s PHE 92 N 0.00 3.12 -0.17 5.30 0.40 0.66 -0.31 117.98 126.98 2kb3 s PHE 92 Ca -0.06 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2kb3 s PHE 92 Cb -0.13 -2.23 -0.00 0.00 0.51 0.00 0.00 43.02 41.17 2kb3 s PHE 92 CO 0.04 -0.27 -0.14 1.03 0.70 0.00 0.00 175.22 176.58 2kb3 s ARG 93 N 1.45 3.23 -0.23 0.44 1.81 0.58 -0.43 118.95 125.80 2kb3 s ARG 93 Ca 0.06 -0.73 -0.08 0.00 -1.72 0.00 0.00 55.73 53.26 2kb3 s ARG 93 Cb -0.15 -2.70 -0.04 0.00 -0.45 0.00 0.00 34.95 31.62 2kb3 s ARG 93 CO 0.04 -0.05 0.08 0.42 -0.68 0.00 0.00 175.30 175.12 2kb3 s ILE 94 N 1.00 4.60 -0.05 1.52 1.09 0.79 -0.34 121.20 129.81 2kb3 s ILE 94 Ca -0.02 -0.08 -0.01 0.00 -1.10 0.00 0.00 60.65 59.45 2kb3 s ILE 94 Cb -0.15 -3.13 0.03 0.00 -1.06 0.00 0.00 42.46 38.15 2kb3 s ILE 94 CO -0.03 0.36 0.01 0.21 -0.10 0.00 0.00 174.94 175.40 2kb3 s ASN 95 N 1.25 1.12 -1.46 3.58 3.84 0.59 -4.67 114.94 119.18 2kb3 s ASN 95 Ca 0.05 -0.04 -0.07 0.00 0.21 0.00 0.00 52.86 53.01 2kb3 s ASN 95 Cb -0.14 -0.32 0.03 0.00 -0.55 0.00 0.00 41.25 40.26 2kb3 s ASN 95 CO 0.04 -0.16 0.66 -0.62 -2.79 0.00 0.00 177.10 174.22 2kb3 n GLU 96 N 4.79 -4.79 -0.94 0.43 -0.58 -1.26 -0.78 120.64 117.51 2kb3 n GLU 96 Ca -0.13 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 2kb3 n GLU 96 Cb 0.50 -5.58 0.00 0.00 -0.57 0.00 0.00 31.44 25.79 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 -1.48 1.01 3.87 0.62 0.00 -1.26 -5.01 105.19 102.94 2kb3 n GLY 97 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.05 3.27 -0.25 1.61 2.02 0.04 -4.33 118.70 121.02 2kb3 s GLU 98 Ca 0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.44 2kb3 s GLU 98 Cb 0.00 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2kb3 s GLU 98 CO 0.00 0.60 -0.02 -0.06 0.02 0.00 0.00 175.26 175.81 2kb3 s PHE 99 N -1.46 3.03 -0.11 1.61 0.08 -1.26 -0.30 117.98 119.58 2kb3 s PHE 99 Ca 0.33 -1.09 0.03 0.00 0.12 0.00 0.00 56.93 56.31 2kb3 s PHE 99 Cb -0.13 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 2kb3 s PHE 99 CO 0.25 -0.60 -0.22 -1.83 -0.10 0.00 0.00 175.22 172.73 2kb3 s GLU 100 N 1.45 3.12 -0.22 0.44 -1.05 0.54 -0.69 118.70 122.29 2kb3 s GLU 100 Ca 0.04 -0.84 -0.08 0.00 -0.15 0.00 0.00 54.97 53.94 2kb3 s GLU 100 Cb -0.16 -2.37 -0.04 0.00 -0.44 0.00 0.00 34.13 31.13 2kb3 s GLU 100 CO -0.02 0.18 0.08 0.08 0.95 0.00 0.00 175.26 176.53 2kb3 s VAL 101 N 0.35 4.62 -0.08 1.83 1.01 0.60 -0.31 120.40 128.41 2kb3 s VAL 101 Ca -0.17 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kb3 s VAL 101 Cb -0.18 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 2kb3 s VAL 101 CO 0.08 0.38 -0.08 0.68 0.00 0.00 0.00 175.10 176.16 2kb3 s VAL 102 N 1.06 3.56 0.15 2.92 -7.23 0.58 -0.96 120.40 120.47 2kb3 s VAL 102 Ca 0.04 -0.52 -0.23 0.00 -1.81 0.00 0.00 61.98 59.47 2kb3 s VAL 102 Cb -0.14 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 2kb3 s VAL 102 CO 0.03 0.58 0.71 -0.62 -0.31 0.00 0.00 175.10 175.49 2kb3 s ASP 103 N -0.53 7.24 0.00 4.85 2.15 0.14 -0.26 116.67 130.26 2kb3 s ASP 103 Ca 0.08 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.55 2kb3 s ASP 103 Cb -0.12 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2kb3 s ASP 103 CO 0.02 0.19 0.58 0.55 -0.17 0.00 0.00 175.17 176.34 2kb3 n VAL 104 N 1.44 0.00 -2.62 1.11 3.14 -0.52 -4.87 118.33 116.01 2kb3 n VAL 104 Ca -0.06 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.19 2kb3 n VAL 104 Cb 0.50 0.56 0.03 0.00 -1.06 0.00 0.00 33.84 33.86 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kb3 n GLY 105 N 0.00 2.70 0.00 7.55 0.00 -0.45 -4.67 105.19 110.32 2kb3 n GLY 105 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.24 0.00 0.00 1.61 7.64 -1.26 -0.84 113.62 120.53 2kb3 n SER 106 Ca 0.17 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 60.17 2kb3 n SER 106 Cb 0.79 -0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 63.75 2kb3 n SER 106 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kb3 n LEU 107 N -1.13 0.60 0.04 -3.43 7.99 -1.26 -4.35 117.00 115.47 2kb3 n LEU 107 Ca 0.00 0.27 0.11 0.00 -0.01 0.00 0.00 56.01 56.38 2kb3 n LEU 107 Cb 0.00 0.15 -0.06 0.00 -0.11 0.00 0.00 43.42 43.40 2kb3 n LEU 107 CO 0.00 0.20 -0.27 -3.20 -1.51 0.00 0.00 177.39 172.61 2kb3 n ASN 108 N -2.79 0.49 -0.08 -1.43 5.15 -0.02 -3.01 115.26 113.56 2kb3 n ASN 108 Ca -0.14 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 2kb3 n ASN 108 Cb 0.87 1.10 0.00 0.00 -0.53 0.00 0.00 39.78 41.22 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb3 n GLY 109 N 1.26 0.67 3.71 8.20 0.00 -1.23 -4.20 105.19 113.60 2kb3 n GLY 109 Ca -0.01 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N -0.63 5.04 -0.06 2.61 2.01 -1.26 -3.47 115.64 119.87 2kb3 s THR 110 Ca 0.00 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.41 2kb3 s THR 110 Cb 0.00 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.51 2kb3 s THR 110 CO 0.00 0.22 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.79 2kb3 s TYR 111 N 1.03 0.86 -0.02 4.92 1.51 -0.85 -3.25 117.35 121.56 2kb3 s TYR 111 Ca 0.36 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2kb3 s TYR 111 Cb -0.17 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 40.91 2kb3 s TYR 111 CO 0.16 -0.24 -0.11 0.08 -1.11 0.00 0.00 175.55 174.33 2kb3 s VAL 112 N 1.12 0.90 -1.51 0.71 1.01 0.80 -0.16 120.40 123.27 2kb3 s VAL 112 Ca -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2kb3 s VAL 112 Cb -0.14 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2kb3 s VAL 112 CO -0.01 0.27 0.42 0.59 0.00 0.00 0.00 175.10 176.37 2kb3 n ASN 113 N 3.05 -5.48 -0.22 3.32 5.03 -0.43 -0.70 115.26 119.83 2kb3 n ASN 113 Ca -0.16 -0.21 -0.03 0.00 0.87 0.00 0.00 54.58 55.05 2kb3 n ASN 113 Cb 0.55 -4.48 -0.01 0.00 -1.02 0.00 0.00 39.78 34.82 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 -3.68 -1.92 -4.28 3.52 1.74 -1.25 -3.75 116.66 107.04 2kb3 n ARG 114 Ca -0.13 0.54 -0.33 0.00 -0.77 0.00 0.00 57.85 57.17 2kb3 n ARG 114 Cb 0.62 -4.85 -0.09 0.00 -1.02 0.00 0.00 32.46 27.13 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 -2.05 2.81 0.04 5.56 0.41 0.12 -4.88 118.70 120.71 2kb3 s GLU 115 Ca 0.00 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 2kb3 s GLU 115 Cb 0.00 -2.68 -0.08 0.00 -1.78 0.00 0.00 34.13 29.59 2kb3 s GLU 115 CO 0.00 0.63 1.66 -2.14 -0.49 0.00 0.00 175.26 174.92 2kb3 s PRO 116 N -1.52 4.20 0.08 0.39 0.02 -1.26 -0.14 135.00 136.76 2kb3 s PRO 116 Ca 0.19 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.54 2kb3 s PRO 116 Cb -0.12 -3.69 -0.03 0.00 0.02 0.00 0.00 34.50 30.68 2kb3 s PRO 116 CO 0.10 -0.76 -0.07 1.03 -0.33 0.00 0.00 177.00 176.97 2kb3 s ARG 117 N 2.97 0.71 -0.25 5.54 1.81 -1.20 -4.91 118.95 123.61 2kb3 s ARG 117 Ca 0.74 -1.10 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 2kb3 s ARG 117 Cb -0.38 -0.25 -0.17 0.00 -0.45 0.00 0.00 34.95 33.70 2kb3 s ARG 117 CO 0.32 0.01 -0.21 -1.71 -0.68 0.00 0.00 175.30 173.04 2kb3 n ASN 118 N 0.58 1.98 -3.76 0.23 5.15 -1.26 -4.67 115.26 113.52 2kb3 n ASN 118 Ca -0.17 -0.03 -0.13 0.00 -0.60 0.00 0.00 54.58 53.66 2kb3 n ASN 118 Cb 0.58 -0.52 -0.10 0.00 -0.53 0.00 0.00 39.78 39.21 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb3 s ALA 119 N -2.52 -0.81 -0.15 5.20 0.00 -1.26 0.27 121.76 122.49 2kb3 s ALA 119 Ca -0.35 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 2kb3 s ALA 119 Cb 0.10 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.93 2kb3 s ALA 119 CO 0.59 -0.20 0.40 -1.14 0.00 0.00 0.00 175.76 175.42 2kb3 s GLN 120 N -0.37 0.45 -0.32 0.00 -0.44 -0.14 -4.99 119.66 113.85 2kb3 s GLN 120 Ca -0.05 0.59 -0.14 0.00 -2.50 0.00 0.00 55.36 53.26 2kb3 s GLN 120 Cb -0.03 0.18 -0.02 0.00 -1.64 0.00 0.00 33.01 31.49 2kb3 s GLN 120 CO 0.02 -0.07 0.32 0.08 0.50 0.00 0.00 175.29 176.14 2kb3 s VAL 121 N 0.43 5.21 0.23 1.34 1.01 -1.26 -0.29 120.40 127.06 2kb3 s VAL 121 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 2kb3 s VAL 121 Cb -0.04 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2kb3 s VAL 121 CO -0.02 0.01 0.59 -0.04 0.00 0.00 0.00 175.10 175.63 2kb3 s MET 122 N 1.95 3.87 0.22 2.72 1.00 0.14 -4.99 119.30 124.21 2kb3 s MET 122 Ca 0.11 0.39 0.09 0.00 0.00 0.00 0.00 55.69 56.27 2kb3 s MET 122 Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 34.83 31.97 2kb3 s MET 122 CO 0.11 0.32 -0.01 -0.65 0.00 0.00 0.00 175.02 174.78 2kb3 s GLN 123 N -2.69 2.30 0.09 2.03 -1.52 -1.26 -4.58 119.66 114.03 2kb3 s GLN 123 Ca 0.47 -1.29 -0.31 0.00 -1.95 0.00 0.00 55.36 52.28 2kb3 s GLN 123 Cb -0.12 -2.23 -0.08 0.00 -0.22 0.00 0.00 33.01 30.36 2kb3 s GLN 123 CO 0.20 0.41 1.54 -0.08 -0.25 0.00 0.00 175.29 177.11 2kb3 s THR 124 N -2.03 3.06 0.00 -0.19 -1.32 -1.26 -1.73 115.64 112.17 2kb3 s THR 124 Ca 0.29 0.64 0.00 0.00 -1.21 0.00 0.00 61.69 61.41 2kb3 s THR 124 Cb -0.08 -3.41 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2kb3 s THR 124 CO 0.19 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2kb3 n GLY 125 N 3.79 0.52 3.85 6.08 0.00 0.87 -4.80 105.19 115.50 2kb3 n GLY 125 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.00 6.72 0.02 1.61 2.15 -0.71 -4.83 116.67 118.64 2kb3 s ASP 126 Ca 0.00 1.43 0.06 0.00 0.43 0.00 0.00 52.55 54.48 2kb3 s ASP 126 Cb 0.00 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2kb3 s ASP 126 CO 0.00 -0.39 -0.17 -1.61 -0.17 0.00 0.00 175.17 172.82 2kb3 s GLU 127 N -3.53 2.16 -0.10 4.34 2.02 -1.26 -0.84 118.70 121.49 2kb3 s GLU 127 Ca 0.57 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2kb3 s GLU 127 Cb -0.10 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 2kb3 s GLU 127 CO 0.23 0.56 -0.20 0.42 0.02 0.00 0.00 175.26 176.28 2kb3 s ILE 128 N -0.89 2.41 -0.19 -1.63 1.01 0.37 -1.32 121.20 120.96 2kb3 s ILE 128 Ca 0.14 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 2kb3 s ILE 128 Cb -0.11 -1.94 0.01 0.00 0.01 0.00 0.00 42.46 40.43 2kb3 s ILE 128 CO 0.05 0.55 -0.16 -1.10 0.00 0.00 0.00 174.94 174.28 2kb3 s GLN 129 N 0.15 3.10 -0.25 2.79 -0.21 0.77 -0.23 119.66 125.78 2kb3 s GLN 129 Ca -0.11 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.48 2kb3 s GLN 129 Cb -0.16 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 31.21 2kb3 s GLN 129 CO 0.06 -0.18 -0.07 0.42 -2.12 0.00 0.00 175.29 173.40 2kb3 s ILE 130 N 1.29 2.79 0.00 1.08 1.01 -0.16 -2.01 121.20 125.20 2kb3 s ILE 130 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2kb3 s ILE 130 Cb -0.14 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.91 2kb3 s ILE 130 CO -0.09 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2kb3 n GLY 131 N 4.65 1.58 0.00 6.18 0.00 -1.23 -0.95 105.19 115.42 2kb3 n GLY 131 Ca -0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.14 1.61 2.85 -1.26 -4.66 118.16 112.56 2kb3 n LYS 132 Ca 0.00 -0.11 -0.22 0.00 -1.05 0.00 0.00 58.31 56.93 2kb3 n LYS 132 Cb 0.00 -0.13 -0.05 0.00 -0.65 0.00 0.00 35.03 34.20 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb3 s PHE 133 N 0.00 3.01 -0.03 5.58 -0.71 -0.13 -4.89 117.98 120.82 2kb3 s PHE 133 Ca 0.00 -0.15 0.05 0.00 -1.04 0.00 0.00 56.93 55.80 2kb3 s PHE 133 Cb 0.00 -1.38 -0.01 0.00 -1.21 0.00 0.00 43.02 40.42 2kb3 s PHE 133 CO 0.00 0.52 -0.19 -0.98 -1.34 0.00 0.00 175.22 173.23 2kb3 s ARG 134 N -3.82 1.76 -0.02 1.99 1.70 -0.44 -0.99 118.95 119.14 2kb3 s ARG 134 Ca 0.33 -0.69 0.07 0.00 -0.47 0.00 0.00 55.73 54.97 2kb3 s ARG 134 Cb -0.07 -1.61 -0.02 0.00 -0.57 0.00 0.00 34.95 32.68 2kb3 s ARG 134 CO 0.24 0.35 -0.23 -0.51 -1.08 0.00 0.00 175.30 174.07 2kb3 s LEU 135 N -0.25 2.04 -0.18 -1.89 1.02 0.67 -1.05 118.68 119.05 2kb3 s LEU 135 Ca 0.02 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 2kb3 s LEU 135 Cb -0.10 -1.19 -0.01 0.00 0.02 0.00 0.00 46.19 44.91 2kb3 s LEU 135 CO 0.01 0.28 -0.07 -0.69 0.02 0.00 0.00 176.35 175.90 2kb3 s VAL 136 N -0.52 3.36 -0.30 -1.59 1.01 0.68 -0.48 120.40 122.56 2kb3 s VAL 136 Ca 0.08 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2kb3 s VAL 136 Cb -0.09 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2kb3 s VAL 136 CO -0.01 0.47 0.28 0.12 0.00 0.00 0.00 175.10 175.96 2kb3 s PHE 137 N 0.92 3.23 -0.08 5.22 5.36 -0.02 -0.51 117.98 132.09 2kb3 s PHE 137 Ca -0.01 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.11 2kb3 s PHE 137 Cb -0.15 -2.51 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 2kb3 s PHE 137 CO 0.01 -0.27 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.78 2kb3 s LEU 138 N 1.89 1.98 -0.26 6.12 1.43 0.54 -0.09 118.68 130.29 2kb3 s LEU 138 Ca 0.10 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 2kb3 s LEU 138 Cb -0.16 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2kb3 s LEU 138 CO 0.11 0.15 0.69 0.00 0.23 0.00 0.00 176.35 177.53 2kb3 s ALA 139 N 0.27 3.61 0.00 4.21 0.00 -1.26 0.02 121.76 128.61 2kb3 s ALA 139 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2kb3 s ALA 139 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kb3 s ALA 139 CO 0.06 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2kb3 n GLY 140 N 4.08 0.10 3.73 0.00 0.00 -1.22 -4.89 105.19 107.00 2kb3 n GLY 140 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2kb3 n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb3 n PRO 141 N -2.40 2.22 -0.92 1.61 -0.02 -1.26 -4.84 135.00 129.39 2kb3 n PRO 141 Ca 0.00 0.78 -0.06 0.00 -2.02 0.00 0.00 63.50 62.21 2kb3 n PRO 141 Cb 0.00 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 30.94 2kb3 n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 n ALA 142 N 0.09 3.19 -0.46 3.55 0.00 -1.26 -1.55 120.51 124.06 2kb3 n ALA 142 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2kb3 n ALA 142 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59