#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 2.18 0.18 7.83 0.01 -1.26 -5.13 113.70 117.51 2kb3 s SER 2 Ca 0.00 -2.61 -0.03 0.00 1.31 0.00 0.00 55.95 54.62 2kb3 s SER 2 Cb 0.00 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 2kb3 s SER 2 CO 0.00 -0.24 0.39 -1.81 0.41 0.00 0.00 173.24 171.99 2kb3 s ASP 3 N 0.58 6.43 -0.13 2.44 1.11 -1.26 -5.10 116.67 120.75 2kb3 s ASP 3 Ca 0.25 0.49 -0.01 0.00 0.18 0.00 0.00 52.55 53.46 2kb3 s ASP 3 Cb -0.10 -2.05 -0.02 0.00 1.07 0.00 0.00 42.92 41.82 2kb3 s ASP 3 CO -0.09 -0.01 -0.09 0.21 1.18 0.00 0.00 175.17 176.37 2kb3 s ASN 4 N -2.86 4.34 0.03 0.27 3.84 -1.26 -5.08 114.94 114.23 2kb3 s ASN 4 Ca 0.40 -0.23 -0.14 0.00 0.21 0.00 0.00 52.86 53.10 2kb3 s ASN 4 Cb -0.11 -1.62 0.02 0.00 -0.55 0.00 0.00 41.25 38.99 2kb3 s ASN 4 CO 0.27 0.19 0.31 0.54 -2.79 0.00 0.00 177.10 175.62 2kb3 s ASN 5 N 0.23 -0.15 0.00 -4.21 2.20 -1.26 -5.15 114.94 106.60 2kb3 s ASN 5 Ca -0.06 -0.13 0.00 0.00 -0.94 0.00 0.00 52.86 51.73 2kb3 s ASN 5 Cb -0.15 0.35 0.00 0.00 -2.00 0.00 0.00 41.25 39.46 2kb3 s ASN 5 CO 0.04 -0.59 0.00 0.61 -2.94 0.00 0.00 177.10 174.22 2kb3 n GLY 6 N 0.69 3.03 3.72 0.45 0.00 -1.26 -5.10 105.19 106.72 2kb3 n GLY 6 Ca -0.19 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 2.44 4.77 0.53 2.61 2.01 -1.26 -5.02 115.64 121.72 2kb3 s THR 7 Ca 0.00 1.95 -0.22 0.00 0.31 0.00 0.00 61.69 63.73 2kb3 s THR 7 Cb 0.00 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 2kb3 s THR 7 CO 0.00 0.24 1.32 -2.65 -0.69 0.00 0.00 174.62 172.83 2kb3 n PRO 8 N 3.46 1.69 -2.63 4.92 -0.02 -1.26 -4.93 135.00 136.24 2kb3 n PRO 8 Ca 0.03 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2kb3 n PRO 8 Cb 0.50 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2kb3 s GLU 9 N -2.75 4.37 -0.38 -0.52 -1.05 -1.26 -4.93 118.70 112.18 2kb3 s GLU 9 Ca 0.70 1.46 -0.27 0.00 -0.15 0.00 0.00 54.97 56.70 2kb3 s GLU 9 Cb -0.43 -3.57 -0.06 0.00 -0.44 0.00 0.00 34.13 29.63 2kb3 s GLU 9 CO 0.51 -0.41 2.29 -2.14 0.95 0.00 0.00 175.26 176.45 2kb3 s PRO 10 N 2.32 2.56 0.14 -4.83 0.02 -1.26 -4.96 135.00 129.00 2kb3 s PRO 10 Ca 0.49 1.61 0.02 0.00 0.02 0.00 0.00 61.00 63.15 2kb3 s PRO 10 Cb -0.19 -4.48 -0.04 0.00 0.02 0.00 0.00 34.50 29.81 2kb3 s PRO 10 CO 0.17 -2.75 0.27 -0.65 -0.33 0.00 0.00 177.00 173.70 2kb3 s GLN 11 N 7.38 3.42 -0.15 5.54 -0.21 -1.26 -5.09 119.66 129.30 2kb3 s GLN 11 Ca 0.97 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 55.72 2kb3 s GLN 11 Cb -0.23 -2.97 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 2kb3 s GLN 11 CO 0.30 0.53 -0.02 0.08 -2.12 0.00 0.00 175.29 174.05 2kb3 s VAL 12 N -1.71 4.04 0.24 1.09 1.01 -1.26 -5.05 120.40 118.75 2kb3 s VAL 12 Ca 0.34 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 2kb3 s VAL 12 Cb -0.11 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2kb3 s VAL 12 CO 0.28 0.51 0.51 -0.70 0.00 0.00 0.00 175.10 175.70 2kb3 s GLU 13 N 0.16 1.53 0.73 2.72 -6.30 -1.26 -5.23 118.70 111.06 2kb3 s GLU 13 Ca -0.01 -1.15 -0.12 0.00 -2.50 0.00 0.00 54.97 51.19 2kb3 s GLU 13 Cb -0.13 0.49 0.04 0.00 0.00 0.00 0.00 34.13 34.52 2kb3 s GLU 13 CO 0.02 -0.65 1.09 0.99 0.02 0.00 0.00 175.26 176.74 2kb3 s THR 14 N -3.98 3.40 0.00 -1.70 2.01 -1.26 -5.12 115.64 108.99 2kb3 s THR 14 Ca 0.19 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2kb3 s THR 14 Cb -0.01 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2kb3 s THR 14 CO 0.06 -0.55 0.00 -1.20 -0.69 0.00 0.00 174.62 172.25 2kb3 n SER 16 N -3.19 0.00 -4.68 3.53 7.64 -1.26 -4.93 113.62 110.74 2kb3 n SER 16 Ca 0.09 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.56 2kb3 n SER 16 Cb 0.53 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 2kb3 n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kb3 s VAL 17 N -1.38 4.88 -0.58 0.44 1.01 -1.26 -4.44 120.40 119.08 2kb3 s VAL 17 Ca 0.00 1.70 -0.27 0.00 0.00 0.00 0.00 61.98 63.40 2kb3 s VAL 17 Cb 0.00 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2kb3 s VAL 17 CO 0.00 0.04 1.14 0.12 0.00 0.00 0.00 175.10 176.40 2kb3 s PHE 18 N 2.00 2.64 -0.77 5.22 5.36 0.18 -4.95 117.98 127.67 2kb3 s PHE 18 Ca 0.40 0.31 -0.21 0.00 -0.96 0.00 0.00 56.93 56.47 2kb3 s PHE 18 Cb -0.17 -4.42 0.10 0.00 -0.34 0.00 0.00 43.02 38.19 2kb3 s PHE 18 CO 0.14 -1.55 1.01 1.03 -1.46 0.00 0.00 175.22 174.40 2kb3 s ARG 19 N 4.74 3.30 0.24 10.12 0.52 -1.26 -4.78 118.95 131.83 2kb3 s ARG 19 Ca 0.40 -1.25 0.10 0.00 -0.52 0.00 0.00 55.73 54.46 2kb3 s ARG 19 Cb -0.09 -4.52 -0.04 0.00 0.52 0.00 0.00 34.95 30.82 2kb3 s ARG 19 CO 0.24 -1.78 -0.10 0.00 0.02 0.00 0.00 175.30 173.68 2kb3 s ALA 20 N 3.41 2.95 -2.00 2.13 0.00 -1.26 -5.02 121.76 121.97 2kb3 s ALA 20 Ca 0.26 -1.65 0.19 0.00 0.00 0.00 0.00 51.96 50.76 2kb3 s ALA 20 Cb -0.12 -0.60 1.16 0.00 0.00 0.00 0.00 23.12 23.56 2kb3 s ALA 20 CO 0.02 0.34 1.71 -0.40 0.00 0.00 0.00 175.76 177.43 2kb3 n ASP 21 N -0.46 0.00 0.27 0.00 5.68 -1.26 -4.02 116.55 116.76 2kb3 n ASP 21 Ca -0.08 -1.29 0.15 0.00 -0.50 0.00 0.00 54.79 53.07 2kb3 n ASP 21 Cb 0.58 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.33 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 2kb3 h LEU 22 N 0.00 0.00 -1.11 -2.12 8.10 -1.95 -2.35 115.31 115.88 2kb3 h LEU 22 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.91 2kb3 h LEU 22 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2kb3 h LEU 22 CO 0.00 0.09 -0.36 0.17 -4.11 0.00 0.00 178.44 174.23 2kb3 h LEU 23 N 0.00 0.00 -1.37 0.17 -0.00 -1.94 -2.90 115.31 109.27 2kb3 h LEU 23 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 2kb3 h LEU 23 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2kb3 h LEU 23 CO 0.01 0.36 -0.31 0.11 -0.00 0.00 0.00 178.44 178.61 2kb3 h LYS 24 N 0.00 0.00 -0.11 0.17 1.57 -1.74 -2.99 116.57 113.48 2kb3 h LYS 24 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kb3 h LYS 24 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2kb3 h LYS 24 CO 0.05 0.31 0.04 1.49 -0.57 0.00 0.00 179.45 180.77 2kb3 h GLU 25 N 0.00 0.16 0.00 3.15 4.81 -1.65 0.23 114.58 121.28 2kb3 h GLU 25 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kb3 h GLU 25 Cb 0.58 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kb3 h GLU 25 CO 0.04 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 2kb3 h MET 26 N 0.00 0.00 0.10 1.92 -0.00 -1.69 -1.61 114.93 113.65 2kb3 h MET 26 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.46 2kb3 h MET 26 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 2kb3 h MET 26 CO -0.00 0.00 -1.31 1.49 -0.00 0.00 0.00 176.91 177.09 2kb3 h GLU 27 N 0.00 0.22 -0.10 -0.10 4.22 -1.32 0.03 114.58 117.53 2kb3 h GLU 27 Ca 0.00 -0.38 -0.10 0.00 0.08 0.00 0.00 59.36 58.96 2kb3 h GLU 27 Cb 0.76 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2kb3 h GLU 27 CO 0.00 1.13 -0.33 1.03 -2.18 0.00 0.00 179.01 178.67 2kb3 h SER 28 N 0.06 0.46 1.67 1.04 0.87 -0.17 -3.19 113.55 114.29 2kb3 h SER 28 Ca -0.15 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 2kb3 h SER 28 Cb 1.96 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 2kb3 h SER 28 CO 0.18 0.99 -0.06 0.77 -0.53 0.00 0.00 176.83 178.18 2kb3 h SER 29 N -0.04 0.00 -4.51 6.23 4.64 -1.41 -3.48 113.55 114.97 2kb3 h SER 29 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2kb3 h SER 29 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2kb3 h SER 29 CO 0.07 0.00 -0.13 0.41 -0.87 0.00 0.00 176.83 176.32 2kb3 n THR 30 N -2.65 -7.32 -1.68 2.95 -1.04 -0.63 -4.91 114.28 99.00 2kb3 n THR 30 Ca 0.05 0.13 -0.47 0.00 -2.04 0.00 0.00 64.05 61.72 2kb3 n THR 30 Cb 0.48 -5.89 -0.04 0.00 -1.82 0.00 0.00 70.33 63.06 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 -1.06 1.34 3.82 3.41 0.00 -0.10 -4.97 105.19 107.63 2kb3 n GLY 31 Ca 0.03 0.76 -0.38 0.00 0.00 0.00 0.00 46.02 46.44 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 2.64 5.16 -0.45 2.61 -1.32 -1.26 -5.04 115.64 117.98 2kb3 s THR 32 Ca 0.86 0.71 -0.04 0.00 -1.21 0.00 0.00 61.69 62.00 2kb3 s THR 32 Cb -0.67 -3.66 0.12 0.00 -1.51 0.00 0.00 72.50 66.78 2kb3 s THR 32 CO 0.45 0.54 0.26 0.00 -2.21 0.00 0.00 174.62 173.66 2kb3 s ALA 33 N -0.71 3.26 0.34 11.08 0.00 -1.26 -4.96 121.76 129.50 2kb3 s ALA 33 Ca 0.21 -2.62 -0.27 0.00 0.00 0.00 0.00 51.96 49.29 2kb3 s ALA 33 Cb -0.15 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 2kb3 s ALA 33 CO 0.10 -1.86 1.05 -1.25 0.00 0.00 0.00 175.76 173.81 2kb3 s PRO 34 N 1.06 4.43 -0.16 0.00 0.04 -1.26 -5.02 135.00 134.09 2kb3 s PRO 34 Ca 0.09 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.54 2kb3 s PRO 34 Cb -0.23 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2kb3 s PRO 34 CO -0.03 0.07 0.60 0.00 0.04 0.00 0.00 177.00 177.68 2kb3 s ALA 35 N -1.42 3.49 0.21 8.56 0.00 -1.26 -5.04 121.76 126.30 2kb3 s ALA 35 Ca 0.51 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.36 2kb3 s ALA 35 Cb -0.26 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2kb3 s ALA 35 CO 0.33 -0.35 -0.02 0.45 0.00 0.00 0.00 175.76 176.17 2kb3 s SER 36 N 1.01 4.60 0.17 0.00 0.15 -1.26 -5.13 113.70 113.23 2kb3 s SER 36 Ca 0.29 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.47 2kb3 s SER 36 Cb -0.16 -0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 63.21 2kb3 s SER 36 CO 0.12 0.05 -0.10 0.28 1.20 0.00 0.00 173.24 174.79 2kb3 s THR 37 N -1.97 1.30 0.00 6.45 -1.32 -1.26 -4.80 115.64 114.04 2kb3 s THR 37 Ca 0.29 -2.09 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2kb3 s THR 37 Cb -0.08 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 2kb3 s THR 37 CO 0.19 -0.65 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 2kb3 n GLY 38 N -0.28 0.96 0.22 6.08 0.00 -1.26 -4.82 105.19 106.09 2kb3 n GLY 38 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 0.29 -0.00 4.61 0.00 -1.89 -2.97 119.26 119.30 2kb3 h ALA 39 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2kb3 h ALA 39 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb3 h ALA 39 CO 0.00 0.69 -0.17 -0.85 0.00 0.00 0.00 179.25 178.92 2kb3 n GLU 40 N -3.92 0.70 0.01 0.00 0.00 -1.26 -3.27 120.64 112.90 2kb3 n GLU 40 Ca -0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 57.16 56.69 2kb3 n GLU 40 Cb 0.77 -1.49 -0.13 0.00 0.00 0.00 0.00 31.44 30.58 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kb3 h ASN 41 N 0.75 0.00 -5.84 -1.84 4.21 -1.93 -3.49 115.58 107.44 2kb3 h ASN 41 Ca 0.00 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 2kb3 h ASN 41 Cb 0.41 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.62 2kb3 h ASN 41 CO 0.00 0.99 -0.41 0.18 -1.29 0.00 0.00 177.43 176.90 2kb3 n LEU 42 N -3.15 -5.05 0.09 1.61 7.99 -1.18 -4.95 117.00 112.37 2kb3 n LEU 42 Ca -0.11 -0.42 -0.07 0.00 -0.01 0.00 0.00 56.01 55.41 2kb3 n LEU 42 Cb 1.01 -2.74 -0.04 0.00 -0.11 0.00 0.00 43.42 41.53 2kb3 n LEU 42 CO 0.46 -0.54 0.51 1.55 -1.51 0.00 0.00 177.39 177.85 2kb3 h PRO 43 N 0.07 -0.35 -0.03 3.23 0.13 -1.90 -3.21 132.00 129.94 2kb3 h PRO 43 Ca -0.25 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2kb3 h PRO 43 Cb 1.15 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kb3 h PRO 43 CO 0.33 -0.23 -0.03 0.00 -0.23 0.00 0.00 178.00 177.84 2kb3 n ALA 44 N -2.56 2.54 -0.42 -0.56 0.00 -1.26 -4.95 120.51 113.31 2kb3 n ALA 44 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2kb3 n ALA 44 Cb 0.18 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.21 1.77 3.57 0.00 0.00 -1.21 -4.64 105.19 105.89 2kb3 n GLY 45 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.37 4.20 -0.04 1.61 0.01 -1.26 -5.05 113.70 109.81 2kb3 s SER 46 Ca 0.00 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 2kb3 s SER 46 Cb 0.00 -0.66 0.01 0.00 0.21 0.00 0.00 66.02 65.57 2kb3 s SER 46 CO 0.00 0.05 0.09 0.00 0.41 0.00 0.00 173.24 173.80 2kb3 s ALA 47 N -2.10 -0.23 -0.01 1.44 0.00 -1.26 -0.89 121.76 118.72 2kb3 s ALA 47 Ca 0.28 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 2kb3 s ALA 47 Cb -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.92 2kb3 s ALA 47 CO 0.17 -0.04 0.30 -0.48 0.00 0.00 0.00 175.76 175.71 2kb3 s LEU 48 N 0.06 0.88 -0.05 0.00 0.05 -0.89 -1.26 118.68 117.46 2kb3 s LEU 48 Ca -0.00 0.04 0.04 0.00 0.05 0.00 0.00 54.13 54.26 2kb3 s LEU 48 Cb -0.01 1.26 -0.00 0.00 -2.05 0.00 0.00 46.19 45.39 2kb3 s LEU 48 CO 0.00 -0.47 -0.19 -1.48 -0.55 0.00 0.00 176.35 173.66 2kb3 s LEU 49 N -1.42 1.94 -0.12 1.48 2.34 0.27 -0.55 118.68 122.62 2kb3 s LEU 49 Ca -0.13 -0.40 -0.01 0.00 0.06 0.00 0.00 54.13 53.65 2kb3 s LEU 49 Cb -0.05 -1.09 -0.02 0.00 -0.56 0.00 0.00 46.19 44.47 2kb3 s LEU 49 CO 0.03 0.16 -0.08 0.54 -1.06 0.00 0.00 176.35 175.95 2kb3 s VAL 50 N 0.09 3.58 -0.25 1.48 0.11 0.24 -0.50 120.40 125.15 2kb3 s VAL 50 Ca -0.06 -0.49 -0.29 0.00 -2.93 0.00 0.00 61.98 58.21 2kb3 s VAL 50 Cb -0.13 -2.51 -0.00 0.00 -1.53 0.00 0.00 36.38 32.20 2kb3 s VAL 50 CO 0.03 0.54 1.23 -0.69 -3.33 0.00 0.00 175.10 172.88 2kb3 s VAL 51 N -0.04 4.29 -0.06 2.04 1.01 -0.42 -0.16 120.40 127.07 2kb3 s VAL 51 Ca -0.00 1.51 0.09 0.00 0.00 0.00 0.00 61.98 63.58 2kb3 s VAL 51 Cb -0.14 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 2kb3 s VAL 51 CO 0.03 -0.32 0.60 1.17 0.00 0.00 0.00 175.10 176.58 2kb3 n LYS 52 N 6.90 0.66 -3.88 2.72 3.00 -0.24 -0.29 118.16 127.02 2kb3 n LYS 52 Ca 0.14 0.29 -0.11 0.00 -0.00 0.00 0.00 58.31 58.62 2kb3 n LYS 52 Cb 0.46 -1.77 -0.12 0.00 0.00 0.00 0.00 35.03 33.60 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kb3 s ARG 53 N -2.59 0.23 0.00 1.64 3.00 -1.13 -4.70 118.95 115.41 2kb3 s ARG 53 Ca -0.08 -0.14 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 2kb3 s ARG 53 Cb 0.08 0.10 0.00 0.00 0.00 0.00 0.00 34.95 35.12 2kb3 s ARG 53 CO 0.81 -0.04 0.00 0.41 0.00 0.00 0.00 175.30 176.48 2kb3 n GLY 54 N 2.38 3.08 0.27 8.12 0.00 -1.26 -3.78 105.19 113.99 2kb3 n GLY 54 Ca -0.17 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.06 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 0.23 -0.65 1.61 0.11 -2.00 -1.76 132.00 129.54 2kb3 h PRO 55 Ca 0.00 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 2kb3 h PRO 55 Cb 0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 30.99 2kb3 h PRO 55 CO 0.00 0.23 0.16 0.27 -0.21 0.00 0.00 178.00 178.45 2kb3 n ASN 56 N -4.43 5.04 -4.76 -2.05 6.94 -1.26 -5.00 115.26 109.74 2kb3 n ASN 56 Ca -0.00 -3.13 -0.39 0.00 -0.02 0.00 0.00 54.58 51.03 2kb3 n ASN 56 Cb 0.14 -0.71 0.02 0.00 -2.36 0.00 0.00 39.78 36.87 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.92 3.12 0.00 -2.53 0.00 -0.66 -2.74 121.76 116.02 2kb3 s ALA 57 Ca 0.54 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2kb3 s ALA 57 Cb 0.43 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2kb3 s ALA 57 CO 0.14 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2kb3 n GLY 58 N 0.63 1.26 3.71 0.00 0.00 0.60 -4.99 105.19 106.39 2kb3 n GLY 58 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.35 3.46 -0.10 4.61 0.00 -1.11 -4.90 121.76 121.36 2kb3 s ALA 59 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2kb3 s ALA 59 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2kb3 s ALA 59 CO 0.00 -0.13 -0.07 -0.98 0.00 0.00 0.00 175.76 174.58 2kb3 s ARG 60 N 0.91 3.13 -0.12 0.00 1.70 -1.26 -1.30 118.95 122.01 2kb3 s ARG 60 Ca 0.29 -0.57 0.02 0.00 -0.47 0.00 0.00 55.73 55.00 2kb3 s ARG 60 Cb -0.16 -2.69 -0.01 0.00 -0.57 0.00 0.00 34.95 31.53 2kb3 s ARG 60 CO 0.12 0.46 -0.19 -0.06 -1.08 0.00 0.00 175.30 174.55 2kb3 s PHE 61 N -0.26 2.67 0.03 5.89 0.08 0.35 -4.95 117.98 121.79 2kb3 s PHE 61 Ca 0.04 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.09 2kb3 s PHE 61 Cb -0.13 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2kb3 s PHE 61 CO 0.03 -0.35 0.33 -0.48 -0.10 0.00 0.00 175.22 174.64 2kb3 s LEU 62 N 0.39 4.37 -0.20 -0.37 0.05 -1.26 -0.56 118.68 121.09 2kb3 s LEU 62 Ca -0.15 0.67 -0.29 0.00 0.05 0.00 0.00 54.13 54.41 2kb3 s LEU 62 Cb -0.17 -2.78 -0.01 0.00 -2.05 0.00 0.00 46.19 41.18 2kb3 s LEU 62 CO 0.07 0.23 1.31 -0.76 -0.55 0.00 0.00 176.35 176.64 2kb3 s LEU 63 N -1.77 4.09 0.00 1.48 2.01 -0.39 -4.83 118.68 119.27 2kb3 s LEU 63 Ca 0.29 1.58 0.00 0.00 0.01 0.00 0.00 54.13 56.01 2kb3 s LEU 63 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.53 2kb3 s LEU 63 CO 0.17 -0.88 0.00 -0.67 1.01 0.00 0.00 176.35 175.97 2kb3 n ASP 64 N 7.00 4.50 -4.44 2.29 2.03 -1.26 -4.76 116.55 121.92 2kb3 n ASP 64 Ca 0.15 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.17 2kb3 n ASP 64 Cb 0.45 0.49 -0.12 0.00 -0.72 0.00 0.00 41.12 41.23 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 -1.89 1.59 0.59 -0.67 -2.07 -1.26 -5.02 119.66 110.93 2kb3 s GLN 65 Ca 0.00 -1.37 0.29 0.00 -1.82 0.00 0.00 55.36 52.46 2kb3 s GLN 65 Cb 0.00 -1.95 1.50 0.00 -1.09 0.00 0.00 33.01 31.47 2kb3 s GLN 65 CO 0.00 0.44 1.91 -1.35 -1.32 0.00 0.00 175.29 174.97 2kb3 h PRO 66 N 3.51 0.00 -3.72 9.60 0.11 -1.92 -3.36 132.00 136.22 2kb3 h PRO 66 Ca -0.49 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.18 2kb3 h PRO 66 Cb 1.19 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.92 2kb3 h PRO 66 CO 0.45 0.00 -0.77 0.99 -0.21 0.00 0.00 178.00 178.46 2kb3 s THR 67 N -4.60 0.41 -0.25 -1.15 2.01 -1.26 0.00 115.64 110.80 2kb3 s THR 67 Ca -0.04 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 2kb3 s THR 67 Cb 0.15 -0.57 0.03 0.00 0.01 0.00 0.00 72.50 72.13 2kb3 s THR 67 CO 0.54 0.26 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.78 2kb3 s THR 68 N 1.96 2.83 0.04 -0.82 2.01 0.85 -4.94 115.64 117.57 2kb3 s THR 68 Ca 0.05 -1.11 -0.23 0.00 0.31 0.00 0.00 61.69 60.71 2kb3 s THR 68 Cb -0.12 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 2kb3 s THR 68 CO -0.05 0.15 0.69 0.42 -0.69 0.00 0.00 174.62 175.13 2kb3 s THR 69 N 1.30 4.76 -0.07 -0.82 -4.23 -1.26 0.18 115.64 115.50 2kb3 s THR 69 Ca -0.01 1.47 0.05 0.00 -1.18 0.00 0.00 61.69 62.02 2kb3 s THR 69 Cb -0.17 -4.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.62 2kb3 s THR 69 CO -0.04 0.41 -0.23 0.00 -0.54 0.00 0.00 174.62 174.22 2kb3 s ALA 70 N -0.29 2.23 0.00 3.99 0.00 0.67 -2.51 121.76 125.86 2kb3 s ALA 70 Ca 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kb3 s ALA 70 Cb -0.20 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2kb3 s ALA 70 CO 0.21 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.78 2kb3 n GLY 71 N 3.01 0.40 3.28 0.00 0.00 -1.26 -2.72 105.19 107.90 2kb3 n GLY 71 Ca -0.18 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 3.27 -0.20 1.61 3.00 -0.84 -3.02 118.95 120.77 2kb3 s ARG 72 Ca 0.00 -0.69 -0.32 0.00 -1.00 0.00 0.00 55.73 53.72 2kb3 s ARG 72 Cb 0.00 -2.99 0.15 0.00 0.00 0.00 0.00 34.95 32.11 2kb3 s ARG 72 CO 0.00 -0.23 1.18 -1.58 0.00 0.00 0.00 175.30 174.67 2kb3 s HIS 73 N 1.45 -0.17 -0.31 5.12 2.46 -1.26 -3.40 115.29 119.17 2kb3 s HIS 73 Ca 0.05 0.20 0.27 0.00 0.47 0.00 0.00 55.06 56.05 2kb3 s HIS 73 Cb -0.15 0.50 0.82 0.00 -0.13 0.00 0.00 32.58 33.62 2kb3 s HIS 73 CO -0.04 -0.21 1.77 -1.00 -2.47 0.00 0.00 174.74 172.79 2kb3 h PRO 74 N 2.13 0.00 -0.01 2.88 0.13 -1.99 -3.19 132.00 131.95 2kb3 h PRO 74 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2kb3 h PRO 74 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kb3 h PRO 74 CO 0.25 0.00 -0.21 0.39 -0.23 0.00 0.00 178.00 178.20 2kb3 n GLU 75 N -2.87 1.18 -2.79 0.86 1.02 -1.26 -4.90 120.64 111.88 2kb3 n GLU 75 Ca 0.03 -0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 56.02 2kb3 n GLU 75 Cb 0.41 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kb3 s SER 76 N -2.35 7.41 0.13 1.62 1.04 -1.21 -4.88 113.70 115.46 2kb3 s SER 76 Ca 0.27 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.44 2kb3 s SER 76 Cb 0.20 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 2kb3 s SER 76 CO 0.47 0.01 1.37 -0.78 0.98 0.00 0.00 173.24 175.28 2kb3 h ASP 77 N 3.48 0.87 -3.32 7.02 3.58 -1.84 -3.43 116.42 122.79 2kb3 h ASP 77 Ca -0.46 -0.53 -0.66 0.00 0.42 0.00 0.00 57.03 55.80 2kb3 h ASP 77 Cb 1.19 -0.26 -0.17 0.00 1.72 0.00 0.00 39.33 41.82 2kb3 h ASP 77 CO 0.66 1.32 -0.63 0.27 -2.88 0.00 0.00 179.24 177.98 2kb3 s ILE 78 N -3.86 4.25 -0.30 2.25 -4.36 -1.11 -5.00 121.20 113.06 2kb3 s ILE 78 Ca -0.10 -0.25 -0.15 0.00 -0.26 0.00 0.00 60.65 59.89 2kb3 s ILE 78 Cb 0.09 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 2kb3 s ILE 78 CO 0.89 0.55 0.38 0.12 0.24 0.00 0.00 174.94 177.12 2kb3 s PHE 79 N -0.32 3.22 -0.01 1.37 5.36 -1.26 -4.29 117.98 122.05 2kb3 s PHE 79 Ca 0.06 0.22 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 2kb3 s PHE 79 Cb -0.12 -2.64 -0.01 0.00 -0.34 0.00 0.00 43.02 39.91 2kb3 s PHE 79 CO 0.02 -0.33 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.76 2kb3 s LEU 80 N 2.08 2.04 -0.31 6.12 1.43 -1.17 -4.97 118.68 123.90 2kb3 s LEU 80 Ca 0.14 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 2kb3 s LEU 80 Cb -0.16 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 2kb3 s LEU 80 CO 0.11 0.22 0.47 -0.62 0.23 0.00 0.00 176.35 176.76 2kb3 s ASP 81 N -0.46 6.32 0.47 2.29 2.15 -1.26 -3.64 116.67 122.53 2kb3 s ASP 81 Ca 0.07 0.15 0.07 0.00 0.43 0.00 0.00 52.55 53.28 2kb3 s ASP 81 Cb -0.07 -2.25 0.01 0.00 -0.30 0.00 0.00 42.92 40.31 2kb3 s ASP 81 CO -0.01 -0.36 0.46 -0.62 -0.17 0.00 0.00 175.17 174.48 2kb3 s ASP 82 N 1.68 4.99 0.09 -0.34 -1.08 -1.26 -4.77 116.67 115.98 2kb3 s ASP 82 Ca 0.18 -0.87 0.10 0.00 -0.52 0.00 0.00 52.55 51.44 2kb3 s ASP 82 Cb -0.16 -0.20 -0.18 0.00 -1.46 0.00 0.00 42.92 40.93 2kb3 s ASP 82 CO 0.11 -0.88 1.11 0.58 0.52 0.00 0.00 175.17 176.62 2kb3 h VAL 83 N 0.81 1.31 -2.69 1.11 2.07 -1.99 -3.47 116.25 113.40 2kb3 h VAL 83 Ca -0.38 -3.00 0.00 0.00 0.82 0.00 0.00 66.70 64.13 2kb3 h VAL 83 Cb 1.28 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 2kb3 h VAL 83 CO 0.54 0.75 0.00 1.07 0.02 0.00 0.00 177.57 179.95 2kb3 n THR 84 N -3.23 0.00 -3.20 2.57 5.66 -1.26 -5.08 114.28 109.74 2kb3 n THR 84 Ca -0.05 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.50 2kb3 n THR 84 Cb 0.94 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.68 2kb3 n THR 84 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2kb3 s VAL 85 N -0.67 5.06 -1.29 1.08 1.01 -1.26 -4.79 120.40 119.54 2kb3 s VAL 85 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 2kb3 s VAL 85 Cb 0.00 -4.45 0.14 0.00 0.00 0.00 0.00 36.38 32.07 2kb3 s VAL 85 CO 0.00 -1.04 1.78 -1.20 0.00 0.00 0.00 175.10 174.64 2kb3 n SER 86 N 5.64 4.95 -0.11 3.32 7.64 -1.22 -4.73 113.62 129.12 2kb3 n SER 86 Ca -0.06 -3.02 -0.13 0.00 1.01 0.00 0.00 58.87 56.66 2kb3 n SER 86 Cb 0.42 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 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 6.34 0.91 -2.22 1.43 0.11 -1.90 -2.24 114.38 116.81 2kb3 h ARG 87 Ca 0.40 -0.49 -0.58 0.00 0.10 0.00 0.00 59.98 59.42 2kb3 h ARG 87 Cb 0.72 0.02 -0.39 0.00 1.11 0.00 0.00 29.97 31.43 2kb3 h ARG 87 CO 1.54 1.14 -0.96 0.54 0.10 0.00 0.00 179.97 182.33 2kb3 n ARG 88 N -4.08 0.90 -0.12 0.08 5.12 -1.26 -4.91 116.66 112.38 2kb3 n ARG 88 Ca -0.03 -3.51 -0.22 0.00 -1.93 0.00 0.00 57.85 52.17 2kb3 n ARG 88 Cb 0.54 -1.58 -0.07 0.00 -1.16 0.00 0.00 32.46 30.19 2kb3 n ARG 88 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2kb3 n HIS 89 N 1.80 0.00 -3.80 -1.55 -0.00 -1.25 -3.77 115.22 106.64 2kb3 n HIS 89 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.87 2kb3 n HIS 89 Cb 0.48 -0.81 -0.06 0.00 -0.00 0.00 0.00 29.99 29.61 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 -2.64 -0.50 -0.03 1.57 0.00 -1.10 -1.13 121.76 117.94 2kb3 s ALA 90 Ca -0.35 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 2kb3 s ALA 90 Cb 0.11 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2kb3 s ALA 90 CO 0.46 -0.65 0.16 -1.83 0.00 0.00 0.00 175.76 173.90 2kb3 s GLU 91 N -3.88 0.39 -0.27 0.00 -1.05 0.16 -0.24 118.70 113.82 2kb3 s GLU 91 Ca 0.09 -0.13 -0.08 0.00 -0.15 0.00 0.00 54.97 54.69 2kb3 s GLU 91 Cb 0.02 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2kb3 s GLU 91 CO -0.06 -0.08 0.10 -0.06 0.95 0.00 0.00 175.26 176.11 2kb3 s PHE 92 N -0.80 3.12 -0.13 4.83 0.08 0.13 -0.48 117.98 124.73 2kb3 s PHE 92 Ca -0.09 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.57 2kb3 s PHE 92 Cb -0.05 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2kb3 s PHE 92 CO 0.01 -0.35 -0.04 0.50 -0.10 0.00 0.00 175.22 175.25 2kb3 s ARG 93 N 1.64 3.43 -0.11 0.44 3.52 0.92 -0.10 118.95 128.68 2kb3 s ARG 93 Ca 0.06 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2kb3 s ARG 93 Cb -0.16 -2.84 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2kb3 s ARG 93 CO 0.05 0.37 -0.14 0.42 -0.81 0.00 0.00 175.30 175.20 2kb3 s ILE 94 N 0.01 1.42 -0.11 4.11 1.01 0.10 -0.22 121.20 127.52 2kb3 s ILE 94 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2kb3 s ILE 94 Cb -0.13 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.05 2kb3 s ILE 94 CO 0.03 0.43 -0.02 0.54 0.00 0.00 0.00 174.94 175.91 2kb3 s ASN 95 N 1.16 2.07 -1.46 3.58 6.03 0.13 -4.50 114.94 121.95 2kb3 s ASN 95 Ca -0.03 -0.30 -0.10 0.00 -1.03 0.00 0.00 52.86 51.39 2kb3 s ASN 95 Cb -0.14 -0.63 0.05 0.00 -3.03 0.00 0.00 41.25 37.50 2kb3 s ASN 95 CO -0.04 -0.18 0.83 -0.62 -2.03 0.00 0.00 177.10 175.05 2kb3 n GLU 96 N 5.04 -5.40 -0.70 3.55 1.02 -1.26 -0.68 120.64 122.22 2kb3 n GLU 96 Ca -0.09 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2kb3 n GLU 96 Cb 0.49 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 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 -1.61 0.73 3.70 0.62 0.00 -1.26 -5.04 105.19 102.34 2kb3 n GLY 97 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 4.06 -0.18 1.61 2.02 0.14 -5.06 118.70 120.98 2kb3 s GLU 98 Ca 0.00 -0.27 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 2kb3 s GLU 98 Cb 0.00 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2kb3 s GLU 98 CO 0.00 0.32 -0.07 -0.06 0.02 0.00 0.00 175.26 175.47 2kb3 s PHE 99 N 0.28 2.92 0.06 1.61 0.40 -1.26 -0.69 117.98 121.30 2kb3 s PHE 99 Ca 0.06 -0.76 0.05 0.00 -0.60 0.00 0.00 56.93 55.68 2kb3 s PHE 99 Cb -0.12 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 2kb3 s PHE 99 CO -0.01 -0.37 -0.14 -1.83 0.70 0.00 0.00 175.22 173.57 2kb3 s GLU 100 N 0.97 0.83 -0.24 0.44 -1.05 0.69 -0.64 118.70 119.70 2kb3 s GLU 100 Ca -0.01 -0.88 -0.09 0.00 -0.15 0.00 0.00 54.97 53.84 2kb3 s GLU 100 Cb -0.15 -0.82 -0.04 0.00 -0.44 0.00 0.00 34.13 32.68 2kb3 s GLU 100 CO 0.00 0.19 0.12 0.08 0.95 0.00 0.00 175.26 176.60 2kb3 s VAL 101 N -1.16 4.94 -0.15 1.83 1.01 0.13 -0.05 120.40 126.94 2kb3 s VAL 101 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2kb3 s VAL 101 Cb -0.09 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2kb3 s VAL 101 CO 0.02 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.57 2kb3 s VAL 102 N 1.23 2.02 -0.02 2.92 1.01 0.37 -0.72 120.40 127.21 2kb3 s VAL 102 Ca 0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2kb3 s VAL 102 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2kb3 s VAL 102 CO 0.05 0.54 0.96 -0.62 0.00 0.00 0.00 175.10 176.03 2kb3 s ASP 103 N 1.02 7.33 -0.16 3.32 -1.08 0.90 -0.66 116.67 127.34 2kb3 s ASP 103 Ca -0.02 1.61 0.16 0.00 -0.52 0.00 0.00 52.55 53.78 2kb3 s ASP 103 Cb -0.14 -2.56 0.33 0.00 -1.46 0.00 0.00 42.92 39.09 2kb3 s ASP 103 CO -0.06 -0.27 1.17 1.33 0.52 0.00 0.00 175.17 177.86 2kb3 n VAL 104 N 3.97 1.95 0.00 1.11 0.24 -0.28 -4.82 118.33 120.50 2kb3 n VAL 104 Ca 0.06 -2.57 0.00 0.00 -2.04 0.00 0.00 64.34 59.78 2kb3 n VAL 104 Cb 0.51 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 -1.28 0.12 2.47 7.63 0.00 -1.05 -4.69 105.19 108.39 2kb3 n GLY 105 Ca 0.17 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.80 -5.70 -0.00 1.61 7.64 -1.24 -4.92 113.62 110.20 2kb3 n SER 106 Ca 0.00 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.70 2kb3 n SER 106 Cb 0.00 -4.70 -0.07 0.00 -1.01 0.00 0.00 64.21 58.43 2kb3 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb3 h LEU 107 N -0.21 0.09 0.00 -3.43 6.46 -1.82 -3.25 115.31 113.14 2kb3 h LEU 107 Ca -0.48 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.13 2kb3 h LEU 107 Cb 1.35 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 2kb3 h LEU 107 CO 0.55 0.21 -1.59 -3.20 -0.62 0.00 0.00 178.44 173.80 2kb3 n ASN 108 N -4.96 1.67 0.00 1.25 2.85 -1.26 0.52 115.26 115.33 2kb3 n ASN 108 Ca -0.06 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 2kb3 n ASN 108 Cb 0.10 1.61 0.00 0.00 1.24 0.00 0.00 39.78 42.74 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb3 n GLY 109 N 1.67 1.34 3.71 8.20 0.00 -1.23 -4.32 105.19 114.57 2kb3 n GLY 109 Ca -0.02 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 5.07 -0.15 2.61 2.01 -1.26 -2.43 115.64 121.49 2kb3 s THR 110 Ca 0.00 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.33 2kb3 s THR 110 Cb 0.00 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 2kb3 s THR 110 CO 0.00 0.25 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.72 2kb3 s TYR 111 N 0.87 2.77 -0.12 4.92 1.51 0.25 -0.90 117.35 126.65 2kb3 s TYR 111 Ca 0.35 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 2kb3 s TYR 111 Cb -0.17 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2kb3 s TYR 111 CO 0.16 -0.41 -0.22 0.08 -1.11 0.00 0.00 175.55 174.06 2kb3 s VAL 112 N 0.67 1.96 -1.47 0.71 1.01 0.80 -0.54 120.40 123.55 2kb3 s VAL 112 Ca -0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2kb3 s VAL 112 Cb -0.16 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.55 2kb3 s VAL 112 CO 0.02 0.53 0.92 -3.20 0.00 0.00 0.00 175.10 173.38 2kb3 n ASN 113 N 3.89 -5.30 0.00 3.32 2.85 0.10 -1.69 115.26 118.43 2kb3 n ASN 113 Ca -0.20 -0.60 0.00 0.00 -0.11 0.00 0.00 54.58 53.67 2kb3 n ASN 113 Cb 0.52 -4.23 0.00 0.00 1.24 0.00 0.00 39.78 37.31 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 -4.56 -1.49 -4.14 1.20 1.74 -0.61 -4.68 116.66 104.11 2kb3 n ARG 114 Ca 0.01 0.37 -0.35 0.00 -0.77 0.00 0.00 57.85 57.11 2kb3 n ARG 114 Cb 0.55 -4.61 -0.09 0.00 -1.02 0.00 0.00 32.46 27.29 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -1.58 3.49 0.04 5.56 2.02 -0.68 -4.95 118.70 122.60 2kb3 s GLU 115 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 2kb3 s GLU 115 Cb 0.00 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 2kb3 s GLU 115 CO 0.00 0.53 1.73 -1.25 0.02 0.00 0.00 175.26 176.30 2kb3 s PRO 116 N -0.38 4.18 0.24 0.39 0.04 -1.26 -0.14 135.00 138.07 2kb3 s PRO 116 Ca 0.09 2.38 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 2kb3 s PRO 116 Cb -0.12 -3.80 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 2kb3 s PRO 116 CO 0.02 -0.82 0.49 0.50 0.04 0.00 0.00 177.00 177.23 2kb3 s ARG 117 N 3.32 1.54 -0.02 4.56 3.52 -0.08 -4.91 118.95 126.89 2kb3 s ARG 117 Ca 0.77 -1.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.14 2kb3 s ARG 117 Cb -0.40 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.47 2kb3 s ARG 117 CO 0.34 -0.64 -0.04 -1.71 -0.81 0.00 0.00 175.30 172.44 2kb3 n ASN 118 N -0.38 0.23 -4.26 -2.12 2.85 -1.26 -4.51 115.26 105.82 2kb3 n ASN 118 Ca -0.02 0.04 -0.31 0.00 -0.11 0.00 0.00 54.58 54.18 2kb3 n ASN 118 Cb 0.62 -0.42 -0.16 0.00 1.24 0.00 0.00 39.78 41.06 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kb3 s ALA 119 N -2.75 2.08 -0.19 5.20 0.00 -1.26 -0.07 121.76 124.77 2kb3 s ALA 119 Ca -0.03 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 2kb3 s ALA 119 Cb 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.56 2kb3 s ALA 119 CO 0.04 0.43 0.49 -1.14 0.00 0.00 0.00 175.76 175.58 2kb3 s GLN 120 N -0.27 0.55 0.22 0.00 2.00 0.10 -5.01 119.66 117.26 2kb3 s GLN 120 Ca 0.00 0.73 -0.30 0.00 -2.00 0.00 0.00 55.36 53.79 2kb3 s GLN 120 Cb -0.12 0.22 -0.10 0.00 0.80 0.00 0.00 33.01 33.81 2kb3 s GLN 120 CO 0.02 -0.09 1.44 0.08 -0.50 0.00 0.00 175.29 176.25 2kb3 s VAL 121 N 0.51 2.76 -0.08 1.34 1.01 -1.26 0.20 120.40 124.88 2kb3 s VAL 121 Ca -0.02 0.61 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 2kb3 s VAL 121 Cb -0.04 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2kb3 s VAL 121 CO -0.03 0.09 0.67 -0.32 0.00 0.00 0.00 175.10 175.51 2kb3 s MET 122 N -0.02 4.41 0.10 2.72 1.75 0.19 -4.83 119.30 123.62 2kb3 s MET 122 Ca 0.61 0.82 0.07 0.00 -1.25 0.00 0.00 55.69 55.94 2kb3 s MET 122 Cb -0.41 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 33.76 2kb3 s MET 122 CO 0.40 0.05 -0.13 1.14 -0.65 0.00 0.00 175.02 175.83 2kb3 s GLN 123 N 0.86 2.04 0.08 4.11 -2.07 -1.26 -4.79 119.66 118.63 2kb3 s GLN 123 Ca 0.36 -1.05 -0.31 0.00 -1.82 0.00 0.00 55.36 52.54 2kb3 s GLN 123 Cb -0.17 -2.25 -0.06 0.00 -1.09 0.00 0.00 33.01 29.44 2kb3 s GLN 123 CO 0.17 0.51 1.22 -0.08 -1.32 0.00 0.00 175.29 175.78 2kb3 s THR 124 N -1.16 3.91 0.00 3.63 -1.32 -1.26 -2.40 115.64 117.04 2kb3 s THR 124 Ca 0.20 1.39 0.00 0.00 -1.21 0.00 0.00 61.69 62.07 2kb3 s THR 124 Cb -0.11 -3.89 0.00 0.00 -1.51 0.00 0.00 72.50 66.99 2kb3 s THR 124 CO 0.12 0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 2kb3 n GLY 125 N 3.13 0.51 3.80 6.08 0.00 0.84 -4.60 105.19 114.95 2kb3 n GLY 125 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.99 6.79 -0.17 1.61 -1.08 -1.01 -4.83 116.67 114.99 2kb3 s ASP 126 Ca 0.00 1.86 -0.01 0.00 -0.52 0.00 0.00 52.55 53.88 2kb3 s ASP 126 Cb 0.00 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2kb3 s ASP 126 CO 0.00 -0.46 -0.12 -1.61 0.52 0.00 0.00 175.17 173.50 2kb3 s GLU 127 N -2.87 3.30 -0.31 4.34 2.02 -1.26 -0.86 118.70 123.05 2kb3 s GLU 127 Ca 0.61 -0.70 -0.07 0.00 0.02 0.00 0.00 54.97 54.83 2kb3 s GLU 127 Cb -0.15 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.37 2kb3 s GLU 127 CO 0.20 0.00 0.10 0.42 0.02 0.00 0.00 175.26 176.00 2kb3 s ILE 128 N 0.89 3.95 -0.19 -1.63 1.01 0.75 -0.72 121.20 125.26 2kb3 s ILE 128 Ca -0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 2kb3 s ILE 128 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2kb3 s ILE 128 CO -0.00 -0.02 -0.00 -1.58 0.00 0.00 0.00 174.94 173.33 2kb3 s GLN 129 N 1.47 3.66 -0.35 2.79 0.74 0.30 -0.09 119.66 128.18 2kb3 s GLN 129 Ca 0.01 -0.51 -0.06 0.00 0.05 0.00 0.00 55.36 54.86 2kb3 s GLN 129 Cb -0.18 -3.05 0.05 0.00 1.10 0.00 0.00 33.01 30.93 2kb3 s GLN 129 CO 0.03 0.09 0.13 0.42 -0.55 0.00 0.00 175.29 175.41 2kb3 s ILE 130 N 0.79 3.75 0.00 -2.34 1.01 0.05 -0.58 121.20 123.88 2kb3 s ILE 130 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2kb3 s ILE 130 Cb -0.14 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.14 2kb3 s ILE 130 CO 0.02 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.31 2kb3 n GLY 131 N 4.79 1.37 0.00 6.18 0.00 -1.02 -2.02 105.19 114.50 2kb3 n GLY 131 Ca -0.11 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 3.62 -3.82 1.61 2.85 -1.26 -4.97 118.16 116.19 2kb3 n LYS 132 Ca 0.00 -0.01 -0.37 0.00 -1.05 0.00 0.00 58.31 56.88 2kb3 n LYS 132 Cb 0.00 -0.84 -0.06 0.00 -0.65 0.00 0.00 35.03 33.48 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 -1.72 3.61 0.01 5.58 -0.71 -0.86 -5.03 117.98 118.87 2kb3 s PHE 133 Ca 0.00 0.58 0.04 0.00 -1.04 0.00 0.00 56.93 56.52 2kb3 s PHE 133 Cb 0.03 -1.98 -0.03 0.00 -1.21 0.00 0.00 43.02 39.82 2kb3 s PHE 133 CO 0.17 0.71 -0.10 -0.98 -1.34 0.00 0.00 175.22 173.68 2kb3 s ARG 134 N -1.15 2.42 -0.05 1.99 1.70 -1.25 -0.77 118.95 121.84 2kb3 s ARG 134 Ca 0.18 -0.79 0.04 0.00 -0.47 0.00 0.00 55.73 54.69 2kb3 s ARG 134 Cb -0.13 -2.41 -0.03 0.00 -0.57 0.00 0.00 34.95 31.82 2kb3 s ARG 134 CO 0.07 0.59 -0.15 -0.51 -1.08 0.00 0.00 175.30 174.22 2kb3 s LEU 135 N -1.37 2.68 -0.15 -1.89 1.02 0.87 -1.08 118.68 118.75 2kb3 s LEU 135 Ca 0.16 -0.22 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 2kb3 s LEU 135 Cb -0.11 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 2kb3 s LEU 135 CO 0.06 0.34 -0.08 -0.69 0.02 0.00 0.00 176.35 176.00 2kb3 s VAL 136 N -0.70 3.43 -0.24 -1.59 1.01 0.78 -0.18 120.40 122.91 2kb3 s VAL 136 Ca 0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 2kb3 s VAL 136 Cb -0.11 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2kb3 s VAL 136 CO 0.00 0.50 0.42 0.12 0.00 0.00 0.00 175.10 176.14 2kb3 s PHE 137 N 0.53 3.30 0.26 5.22 5.36 -0.04 -0.60 117.98 132.01 2kb3 s PHE 137 Ca -0.06 0.54 0.11 0.00 -0.96 0.00 0.00 56.93 56.57 2kb3 s PHE 137 Cb -0.15 -2.59 -0.05 0.00 -0.34 0.00 0.00 43.02 39.89 2kb3 s PHE 137 CO 0.03 -0.15 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.93 2kb3 s LEU 138 N 1.82 2.56 -0.07 6.12 1.02 0.29 -0.11 118.68 130.31 2kb3 s LEU 138 Ca 0.18 -1.00 -0.30 0.00 0.02 0.00 0.00 54.13 53.03 2kb3 s LEU 138 Cb -0.15 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 44.96 2kb3 s LEU 138 CO 0.09 0.03 1.21 0.00 0.02 0.00 0.00 176.35 177.70 2kb3 s ALA 139 N -2.43 3.52 0.31 4.21 0.00 -1.26 -2.10 121.76 124.02 2kb3 s ALA 139 Ca 0.28 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 2kb3 s ALA 139 Cb -0.05 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2kb3 s ALA 139 CO 0.13 -0.83 1.05 0.20 0.00 0.00 0.00 175.76 176.32 2kb3 s GLY 140 N 1.55 2.95 0.81 0.00 0.00 -0.06 -4.84 107.32 107.74 2kb3 s GLY 140 Ca 0.56 0.77 -0.11 0.00 0.00 0.00 0.00 44.72 45.94 2kb3 s GLY 140 CO 0.21 1.30 1.09 2.56 0.00 0.00 0.00 173.10 178.26 2kb3 s PRO 141 N -1.77 1.94 -0.13 2.90 0.04 -1.26 -4.18 135.00 132.53 2kb3 s PRO 141 Ca 0.48 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 2kb3 s PRO 141 Cb -0.27 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 2kb3 s PRO 141 CO 0.34 -1.79 2.56 0.00 0.04 0.00 0.00 177.00 178.16 2kb3 n ALA 142 N -3.59 5.25 -0.53 8.56 0.00 -1.26 -4.78 120.51 124.17 2kb3 n ALA 142 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2kb3 n ALA 142 Cb 0.55 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59