#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 6.98 0.02 7.83 0.01 -1.26 -5.02 113.70 122.27 2kb3 s SER 2 Ca 0.00 2.42 -0.08 0.00 1.31 0.00 0.00 55.95 59.59 2kb3 s SER 2 Cb 0.00 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2kb3 s SER 2 CO 0.00 -0.41 0.17 1.51 0.41 0.00 0.00 173.24 174.91 2kb3 s ASP 3 N -0.20 0.04 -0.20 2.44 -4.77 -1.26 -5.16 116.67 107.57 2kb3 s ASP 3 Ca 0.51 -0.31 -0.23 0.00 -3.30 0.00 0.00 52.55 49.22 2kb3 s ASP 3 Cb -0.36 0.25 0.06 0.00 -1.09 0.00 0.00 42.92 41.79 2kb3 s ASP 3 CO 0.42 -0.48 0.63 0.21 0.70 0.00 0.00 175.17 176.65 2kb3 s ASN 4 N -1.81 -0.64 -1.06 2.11 2.47 -1.26 -5.08 114.94 109.67 2kb3 s ASN 4 Ca -0.09 1.15 -0.22 0.00 0.42 0.00 0.00 52.86 54.12 2kb3 s ASN 4 Cb -0.04 1.15 0.02 0.00 -1.45 0.00 0.00 41.25 40.93 2kb3 s ASN 4 CO -0.02 -0.29 1.66 0.54 -3.72 0.00 0.00 177.10 175.28 2kb3 s ASN 5 N 0.05 6.12 0.00 -4.21 4.22 -1.26 -4.66 114.94 115.19 2kb3 s ASN 5 Ca -0.02 -1.48 0.27 0.00 -2.14 0.00 0.00 52.86 49.49 2kb3 s ASN 5 Cb -0.04 -2.57 0.92 0.00 1.28 0.00 0.00 41.25 40.84 2kb3 s ASN 5 CO 0.02 -1.88 1.68 0.61 -2.04 0.00 0.00 177.10 175.50 2kb3 n GLY 6 N 6.49 -1.12 3.65 0.45 0.00 -1.26 -4.80 105.19 108.61 2kb3 n GLY 6 Ca 0.39 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.77 4.58 0.54 2.61 2.01 -1.26 -5.02 115.64 116.33 2kb3 s THR 7 Ca 0.19 1.88 -0.19 0.00 0.31 0.00 0.00 61.69 63.88 2kb3 s THR 7 Cb 0.19 -4.32 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 2kb3 s THR 7 CO 0.57 -0.29 1.09 -2.16 -0.69 0.00 0.00 174.62 173.14 2kb3 s PRO 8 N 3.41 3.46 -0.14 4.92 0.04 -1.26 -4.97 135.00 140.46 2kb3 s PRO 8 Ca 0.46 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2kb3 s PRO 8 Cb -0.14 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2kb3 s PRO 8 CO 0.10 -0.74 1.10 -1.21 0.04 0.00 0.00 177.00 176.30 2kb3 s GLU 9 N -3.41 4.33 0.16 4.56 2.02 -1.26 -4.97 118.70 120.13 2kb3 s GLU 9 Ca 0.70 1.49 -0.31 0.00 0.02 0.00 0.00 54.97 56.87 2kb3 s GLU 9 Cb -0.20 -3.61 -0.08 0.00 0.10 0.00 0.00 34.13 30.34 2kb3 s GLU 9 CO 0.27 -0.49 1.34 -1.25 0.02 0.00 0.00 175.26 175.14 2kb3 s PRO 10 N 2.60 4.36 0.13 0.39 0.04 -1.26 -5.00 135.00 136.27 2kb3 s PRO 10 Ca 0.50 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 2kb3 s PRO 10 Cb -0.19 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 2kb3 s PRO 10 CO 0.15 -0.33 0.51 -0.65 0.04 0.00 0.00 177.00 176.72 2kb3 s GLN 11 N 0.45 3.91 -0.14 4.56 -0.21 -1.26 -5.04 119.66 121.92 2kb3 s GLN 11 Ca 0.60 0.40 -0.04 0.00 0.02 0.00 0.00 55.36 56.34 2kb3 s GLN 11 Cb -0.36 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.68 2kb3 s GLN 11 CO 0.34 0.49 -0.01 0.08 -2.12 0.00 0.00 175.29 174.08 2kb3 s VAL 12 N -1.46 4.20 0.04 1.09 1.01 -1.26 -5.07 120.40 118.95 2kb3 s VAL 12 Ca 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2kb3 s VAL 12 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2kb3 s VAL 12 CO 0.19 0.51 -0.00 -0.70 0.00 0.00 0.00 175.10 175.10 2kb3 s GLU 13 N 0.07 0.51 0.00 2.72 2.56 -1.26 -5.12 118.70 118.18 2kb3 s GLU 13 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 54.97 54.05 2kb3 s GLU 13 Cb -0.13 0.18 0.00 0.00 2.00 0.00 0.00 34.13 36.18 2kb3 s GLU 13 CO 0.02 -0.10 0.00 2.41 -0.56 0.00 0.00 175.26 177.03 2kb3 n THR 14 N 0.70 0.00 -3.63 -1.70 -1.04 -1.25 -4.63 114.28 102.74 2kb3 n THR 14 Ca -0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.67 2kb3 n THR 14 Cb 0.59 -1.03 -0.07 0.00 -1.82 0.00 0.00 70.33 67.99 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb3 s SER 16 N -1.49 -0.54 -0.34 8.00 0.01 -1.26 -3.96 113.70 114.13 2kb3 s SER 16 Ca 0.00 0.73 -0.26 0.00 1.31 0.00 0.00 55.95 57.73 2kb3 s SER 16 Cb 0.00 0.71 0.01 0.00 0.21 0.00 0.00 66.02 66.96 2kb3 s SER 16 CO 0.00 -0.43 0.94 -0.69 0.41 0.00 0.00 173.24 173.46 2kb3 s VAL 17 N -0.71 4.61 -0.18 3.43 1.01 -1.26 -3.01 120.40 124.29 2kb3 s VAL 17 Ca -0.08 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.26 2kb3 s VAL 17 Cb -0.03 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2kb3 s VAL 17 CO 0.06 -0.45 -0.14 -0.36 0.00 0.00 0.00 175.10 174.20 2kb3 s PHE 18 N 3.40 2.45 -0.68 5.22 0.08 0.12 -4.97 117.98 123.61 2kb3 s PHE 18 Ca 0.39 -1.50 -0.26 0.00 0.12 0.00 0.00 56.93 55.68 2kb3 s PHE 18 Cb -0.13 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2kb3 s PHE 18 CO 0.16 -0.74 1.15 0.50 -0.10 0.00 0.00 175.22 176.20 2kb3 s ARG 19 N 1.39 3.22 -0.31 0.44 3.52 -1.26 -4.35 118.95 121.60 2kb3 s ARG 19 Ca 0.02 -0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 55.00 2kb3 s ARG 19 Cb -0.14 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 2kb3 s ARG 19 CO -0.10 -1.95 2.01 0.00 -0.81 0.00 0.00 175.30 174.46 2kb3 s ALA 20 N 5.03 2.69 0.60 6.12 0.00 -1.26 -4.81 121.76 130.13 2kb3 s ALA 20 Ca 0.32 0.41 0.33 0.00 0.00 0.00 0.00 51.96 53.02 2kb3 s ALA 20 Cb -0.11 -4.08 1.95 0.00 0.00 0.00 0.00 23.12 20.89 2kb3 s ALA 20 CO 0.15 -2.89 2.28 0.22 0.00 0.00 0.00 175.76 175.52 2kb3 h ASP 21 N 14.33 0.00 0.11 0.00 3.58 -1.95 -1.21 116.42 131.28 2kb3 h ASP 21 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2kb3 h ASP 21 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2kb3 h ASP 21 CO 1.02 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 177.38 2kb3 n LEU 22 N -3.68 0.00 0.25 2.28 -0.00 -1.26 -2.69 117.00 111.90 2kb3 n LEU 22 Ca -0.03 0.19 0.17 0.00 -0.00 0.00 0.00 56.01 56.34 2kb3 n LEU 22 Cb 0.08 -0.19 0.90 0.00 -0.00 0.00 0.00 43.42 44.21 2kb3 n LEU 22 CO 0.26 -0.14 1.15 0.17 -0.00 0.00 0.00 177.39 178.83 2kb3 h LEU 23 N 0.00 0.00 -1.39 1.47 8.10 -1.61 -0.62 115.31 121.26 2kb3 h LEU 23 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 2kb3 h LEU 23 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.27 2kb3 h LEU 23 CO 0.00 0.00 -0.31 0.11 -4.11 0.00 0.00 178.44 174.13 2kb3 h LYS 24 N 0.00 0.00 0.00 0.17 1.57 -1.78 -1.88 116.57 114.65 2kb3 h LYS 24 Ca 0.05 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2kb3 h LYS 24 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2kb3 h LYS 24 CO -0.00 0.31 -0.37 0.93 -0.57 0.00 0.00 179.45 179.75 2kb3 h GLU 25 N 0.00 0.00 -0.61 3.15 3.07 -1.37 -2.61 114.58 116.21 2kb3 h GLU 25 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2kb3 h GLU 25 Cb 0.58 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 2kb3 h GLU 25 CO 0.04 0.37 0.03 0.52 -1.40 0.00 0.00 179.01 178.57 2kb3 h MET 26 N 0.00 1.06 -0.86 2.33 2.86 -1.38 0.18 114.93 119.12 2kb3 h MET 26 Ca -0.00 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 2kb3 h MET 26 Cb 0.87 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 2kb3 h MET 26 CO 0.05 1.02 0.45 0.93 1.06 0.00 0.00 176.91 180.42 2kb3 h GLU 27 N 0.96 1.22 0.00 1.72 5.08 -1.39 -0.08 114.58 122.09 2kb3 h GLU 27 Ca 0.18 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2kb3 h GLU 27 Cb 0.53 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2kb3 h GLU 27 CO 0.03 0.91 -0.50 0.77 -1.00 0.00 0.00 179.01 179.21 2kb3 h SER 28 N 1.22 0.00 0.66 1.42 0.02 -1.13 -2.86 113.55 112.88 2kb3 h SER 28 Ca 0.30 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.10 2kb3 h SER 28 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2kb3 h SER 28 CO -0.04 0.50 -0.71 0.28 -1.14 0.00 0.00 176.83 175.72 2kb3 h SER 29 N 0.00 0.05 -2.55 3.07 0.02 0.22 -3.44 113.55 110.92 2kb3 h SER 29 Ca -0.01 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.38 2kb3 h SER 29 Cb 1.04 -0.01 0.05 0.00 0.14 0.00 0.00 62.40 63.62 2kb3 h SER 29 CO 0.07 0.74 1.04 0.41 -1.14 0.00 0.00 176.83 177.94 2kb3 n THR 30 N -3.71 0.16 0.00 -2.27 -1.04 -0.16 -2.73 114.28 104.52 2kb3 n THR 30 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2kb3 n THR 30 Cb 0.69 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 4.05 4.38 3.24 3.41 0.00 -1.26 -4.99 105.19 114.01 2kb3 n GLY 31 Ca 0.17 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N 0.00 2.75 0.03 2.61 2.01 -1.11 -5.11 115.64 116.83 2kb3 s THR 32 Ca 0.00 -0.72 -0.18 0.00 0.31 0.00 0.00 61.69 61.10 2kb3 s THR 32 Cb 0.00 -2.20 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 2kb3 s THR 32 CO 0.00 0.49 0.53 0.00 -0.69 0.00 0.00 174.62 174.95 2kb3 s ALA 33 N 1.19 3.59 0.33 7.40 0.00 -1.26 -4.98 121.76 128.03 2kb3 s ALA 33 Ca 0.02 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 2kb3 s ALA 33 Cb -0.14 -2.59 -0.09 0.00 0.00 0.00 0.00 23.12 20.30 2kb3 s ALA 33 CO -0.05 0.36 1.11 -2.14 0.00 0.00 0.00 175.76 175.03 2kb3 s PRO 34 N -0.84 4.40 -0.23 0.00 0.02 -1.26 -5.02 135.00 132.07 2kb3 s PRO 34 Ca 0.28 1.76 -0.10 0.00 0.02 0.00 0.00 61.00 62.95 2kb3 s PRO 34 Cb -0.18 -2.93 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 2kb3 s PRO 34 CO 0.17 0.01 0.15 0.00 -0.33 0.00 0.00 177.00 177.00 2kb3 s ALA 35 N -1.33 3.62 -0.17 -1.55 0.00 -1.26 -5.05 121.76 116.02 2kb3 s ALA 35 Ca 0.50 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2kb3 s ALA 35 Cb -0.30 -2.27 0.06 0.00 0.00 0.00 0.00 23.12 20.61 2kb3 s ALA 35 CO 0.38 -0.09 0.07 -1.12 0.00 0.00 0.00 175.76 175.00 2kb3 s SER 36 N 0.85 2.45 -0.15 0.00 0.01 -1.26 -4.62 113.70 110.98 2kb3 s SER 36 Ca 0.08 -0.63 -0.19 0.00 1.31 0.00 0.00 55.95 56.52 2kb3 s SER 36 Cb -0.13 -0.37 0.05 0.00 0.21 0.00 0.00 66.02 65.79 2kb3 s SER 36 CO 0.03 -0.32 0.50 -0.89 0.41 0.00 0.00 173.24 172.96 2kb3 s THR 37 N 2.04 0.01 0.00 1.44 2.01 -0.55 -4.77 115.64 115.82 2kb3 s THR 37 Ca 0.01 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2kb3 s THR 37 Cb -0.16 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.62 2kb3 s THR 37 CO -0.08 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2kb3 n GLY 38 N 2.40 0.88 0.12 4.40 0.00 -1.26 -4.49 105.19 107.24 2kb3 n GLY 38 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 0.55 0.00 4.61 0.00 -1.90 -2.89 119.26 119.63 2kb3 h ALA 39 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2kb3 h ALA 39 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kb3 h ALA 39 CO 0.00 0.94 0.00 -0.85 0.00 0.00 0.00 179.25 179.34 2kb3 n GLU 40 N -3.64 0.99 -0.00 0.00 0.00 -1.26 -2.70 120.64 114.03 2kb3 n GLU 40 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.09 2kb3 n GLU 40 Cb 0.80 -1.32 -0.12 0.00 0.00 0.00 0.00 31.44 30.81 2kb3 n GLU 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kb3 n ASN 41 N -0.82 0.77 -3.35 -1.84 4.13 -1.09 -5.04 115.26 108.03 2kb3 n ASN 41 Ca 0.15 0.35 -0.27 0.00 1.68 0.00 0.00 54.58 56.50 2kb3 n ASN 41 Cb 0.07 0.18 0.02 0.00 -1.54 0.00 0.00 39.78 38.51 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kb3 n LEU 42 N -2.93 -4.12 0.21 3.41 4.32 -1.10 -4.98 117.00 111.82 2kb3 n LEU 42 Ca -0.15 -0.09 -0.09 0.00 -0.02 0.00 0.00 56.01 55.66 2kb3 n LEU 42 Cb 0.96 -2.19 -0.04 0.00 -1.62 0.00 0.00 43.42 40.52 2kb3 n LEU 42 CO 0.44 -0.64 0.26 1.55 -1.22 0.00 0.00 177.39 177.78 2kb3 h PRO 43 N 1.63 -0.58 0.00 3.23 0.13 -1.86 -3.38 132.00 131.17 2kb3 h PRO 43 Ca -0.40 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2kb3 h PRO 43 Cb 1.28 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2kb3 h PRO 43 CO 0.25 -0.39 -1.33 0.00 -0.23 0.00 0.00 178.00 176.30 2kb3 n ALA 44 N -2.66 3.92 -0.99 -0.56 0.00 -1.26 -4.89 120.51 114.07 2kb3 n ALA 44 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2kb3 n ALA 44 Cb 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.42 0.41 3.46 0.00 0.00 -1.26 -5.01 105.19 104.22 2kb3 n GLY 45 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.75 -0.06 0.09 1.61 0.01 -1.26 -4.97 113.70 106.37 2kb3 s SER 46 Ca 0.00 -0.84 -0.15 0.00 1.31 0.00 0.00 55.95 56.27 2kb3 s SER 46 Cb 0.00 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.78 2kb3 s SER 46 CO 0.00 -1.01 0.36 0.00 0.41 0.00 0.00 173.24 173.00 2kb3 s ALA 47 N -3.98 -0.82 0.19 1.44 0.00 -0.99 -1.44 121.76 116.16 2kb3 s ALA 47 Ca 0.18 -0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.23 2kb3 s ALA 47 Cb 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2kb3 s ALA 47 CO 0.03 -0.54 -0.23 -0.48 0.00 0.00 0.00 175.76 174.54 2kb3 s LEU 48 N -2.50 2.44 0.00 0.00 0.05 -0.48 -0.10 118.68 118.09 2kb3 s LEU 48 Ca -0.00 -0.87 0.06 0.00 0.05 0.00 0.00 54.13 53.37 2kb3 s LEU 48 Cb 0.01 -1.09 -0.02 0.00 -2.05 0.00 0.00 46.19 43.05 2kb3 s LEU 48 CO -0.08 0.08 -0.18 -1.48 -0.55 0.00 0.00 176.35 174.14 2kb3 s LEU 49 N -2.68 2.07 -0.09 1.48 0.05 -0.10 -0.41 118.68 119.00 2kb3 s LEU 49 Ca 0.20 -0.37 0.03 0.00 0.05 0.00 0.00 54.13 54.04 2kb3 s LEU 49 Cb -0.07 -0.89 -0.02 0.00 -2.05 0.00 0.00 46.19 43.16 2kb3 s LEU 49 CO 0.09 0.19 -0.17 0.54 -0.55 0.00 0.00 176.35 176.46 2kb3 s VAL 50 N -0.52 2.79 -0.28 1.48 0.11 -0.00 -0.39 120.40 123.59 2kb3 s VAL 50 Ca 0.06 -0.79 -0.23 0.00 -2.93 0.00 0.00 61.98 58.09 2kb3 s VAL 50 Cb -0.07 -2.11 -0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2kb3 s VAL 50 CO -0.00 0.56 0.77 -0.69 -3.33 0.00 0.00 175.10 172.41 2kb3 s VAL 51 N -0.11 4.84 -0.09 2.04 1.01 -0.19 -0.68 120.40 127.21 2kb3 s VAL 51 Ca -0.03 1.29 0.10 0.00 0.00 0.00 0.00 61.98 63.34 2kb3 s VAL 51 Cb -0.14 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 2kb3 s VAL 51 CO 0.04 -0.15 0.47 0.29 0.00 0.00 0.00 175.10 175.75 2kb3 n LYS 52 N 6.06 0.66 -3.80 2.72 4.76 0.10 -0.78 118.16 127.89 2kb3 n LYS 52 Ca 0.04 0.23 -0.13 0.00 -2.87 0.00 0.00 58.31 55.58 2kb3 n LYS 52 Cb 0.48 -1.72 -0.13 0.00 -1.84 0.00 0.00 35.03 31.82 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kb3 s ARG 53 N -2.57 0.13 0.00 1.97 6.06 -1.18 -4.73 118.95 118.63 2kb3 s ARG 53 Ca -0.10 0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 2kb3 s ARG 53 Cb 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.07 2kb3 s ARG 53 CO 0.81 -0.07 0.00 0.41 -2.50 0.00 0.00 175.30 173.95 2kb3 n GLY 54 N 3.40 1.93 0.37 8.12 0.00 -1.26 -2.05 105.19 115.70 2kb3 n GLY 54 Ca -0.17 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 43.95 2kb3 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 h PRO 55 N 0.00 0.21 -0.41 1.61 0.13 -1.98 -0.32 132.00 131.24 2kb3 h PRO 55 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2kb3 h PRO 55 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2kb3 h PRO 55 CO 0.00 0.14 0.00 0.09 -0.23 0.00 0.00 178.00 178.00 2kb3 n ASN 56 N -4.44 2.16 -4.73 1.44 4.13 -1.26 -4.95 115.26 107.60 2kb3 n ASN 56 Ca 0.10 -2.02 -0.42 0.00 1.68 0.00 0.00 54.58 53.91 2kb3 n ASN 56 Cb 0.49 -0.28 -0.01 0.00 -1.54 0.00 0.00 39.78 38.44 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 n ALA 57 N 0.63 2.14 0.00 5.41 0.00 -0.13 -2.00 120.51 126.56 2kb3 n ALA 57 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2kb3 n ALA 57 Cb 0.35 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 1.76 2.33 3.81 0.00 0.00 0.04 -4.99 105.19 108.15 2kb3 n GLY 58 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.61 3.61 -0.06 4.61 0.00 -0.85 -4.91 121.76 121.56 2kb3 s ALA 59 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.95 2kb3 s ALA 59 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 2kb3 s ALA 59 CO 0.00 0.38 -0.21 -0.98 0.00 0.00 0.00 175.76 174.95 2kb3 s ARG 60 N -0.93 2.25 -0.19 0.00 1.70 -1.26 -1.03 118.95 119.50 2kb3 s ARG 60 Ca 0.27 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 2kb3 s ARG 60 Cb -0.18 -1.90 0.03 0.00 -0.57 0.00 0.00 34.95 32.33 2kb3 s ARG 60 CO 0.17 0.29 -0.18 -0.06 -1.08 0.00 0.00 175.30 174.44 2kb3 s PHE 61 N 0.00 2.77 -0.42 5.89 0.08 0.48 -4.95 117.98 121.83 2kb3 s PHE 61 Ca -0.06 -1.69 -0.23 0.00 0.12 0.00 0.00 56.93 55.07 2kb3 s PHE 61 Cb -0.13 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2kb3 s PHE 61 CO 0.04 -0.80 0.80 -1.17 -0.10 0.00 0.00 175.22 173.99 2kb3 s LEU 62 N 1.29 4.17 -0.31 -0.37 2.96 -1.26 -0.93 118.68 124.23 2kb3 s LEU 62 Ca 0.03 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.88 2kb3 s LEU 62 Cb -0.14 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2kb3 s LEU 62 CO -0.12 -0.86 0.43 -0.76 -1.32 0.00 0.00 176.35 173.72 2kb3 s LEU 63 N 3.28 4.23 -0.05 -0.68 2.01 0.86 -4.86 118.68 123.47 2kb3 s LEU 63 Ca 0.31 0.09 0.07 0.00 0.01 0.00 0.00 54.13 54.61 2kb3 s LEU 63 Cb -0.12 -2.48 0.11 0.00 0.01 0.00 0.00 46.19 43.70 2kb3 s LEU 63 CO 0.21 -0.33 1.02 -0.90 1.01 0.00 0.00 176.35 177.37 2kb3 n ASP 64 N 5.50 1.92 -4.74 2.29 5.75 -1.26 -2.35 116.55 123.66 2kb3 n ASP 64 Ca -0.07 -2.33 -0.25 0.00 -0.01 0.00 0.00 54.79 52.13 2kb3 n ASP 64 Cb 0.50 -0.16 -0.06 0.00 -1.03 0.00 0.00 41.12 40.36 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb3 s GLN 65 N -1.58 2.65 0.55 0.11 -2.07 -1.26 -5.03 119.66 113.03 2kb3 s GLN 65 Ca 0.12 -1.06 0.33 0.00 -1.82 0.00 0.00 55.36 52.93 2kb3 s GLN 65 Cb 0.10 -2.47 1.42 0.00 -1.09 0.00 0.00 33.01 30.98 2kb3 s GLN 65 CO 0.01 0.44 2.01 -1.00 -1.32 0.00 0.00 175.29 175.43 2kb3 h PRO 66 N 2.27 0.00 -2.47 9.60 0.13 -1.95 -3.38 132.00 136.20 2kb3 h PRO 66 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 2kb3 h PRO 66 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 2kb3 h PRO 66 CO 0.60 0.03 -0.25 0.99 -0.23 0.00 0.00 178.00 179.14 2kb3 s THR 67 N -3.74 -0.22 -0.20 1.56 2.01 -1.26 -0.55 115.64 113.24 2kb3 s THR 67 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2kb3 s THR 67 Cb 0.10 -0.71 0.05 0.00 0.01 0.00 0.00 72.50 71.95 2kb3 s THR 67 CO 0.54 0.04 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.55 2kb3 s THR 68 N 1.80 1.44 0.06 -0.82 2.01 0.79 -4.99 115.64 115.94 2kb3 s THR 68 Ca -0.08 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 2kb3 s THR 68 Cb -0.09 -1.63 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 2kb3 s THR 68 CO -0.14 0.05 0.58 -0.89 -0.69 0.00 0.00 174.62 173.52 2kb3 s THR 69 N 1.47 4.76 -0.05 -0.82 2.01 -1.26 -0.04 115.64 121.70 2kb3 s THR 69 Ca -0.03 1.24 0.06 0.00 0.31 0.00 0.00 61.69 63.27 2kb3 s THR 69 Cb -0.17 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2kb3 s THR 69 CO -0.07 0.53 -0.22 0.00 -0.69 0.00 0.00 174.62 174.17 2kb3 s ALA 70 N -0.96 1.95 0.00 7.40 0.00 0.68 -0.17 121.76 130.66 2kb3 s ALA 70 Ca 0.29 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2kb3 s ALA 70 Cb -0.19 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2kb3 s ALA 70 CO 0.19 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.74 2kb3 n GLY 71 N 2.98 -0.52 3.20 0.00 0.00 -1.24 -0.75 105.19 108.86 2kb3 n GLY 71 Ca -0.17 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.59 2.94 0.00 1.61 3.52 0.94 -0.81 118.95 125.56 2kb3 s ARG 72 Ca 0.00 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.70 2kb3 s ARG 72 Cb 0.00 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 2kb3 s ARG 72 CO 0.00 -0.33 0.00 0.72 -0.81 0.00 0.00 175.30 174.88 2kb3 n HIS 73 N 4.67 0.00 0.30 5.12 8.25 -1.26 -3.71 115.22 128.59 2kb3 n HIS 73 Ca -0.18 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.33 2kb3 n HIS 73 Cb 0.48 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.78 2kb3 n HIS 73 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kb3 n PRO 74 N -1.43 0.00 0.20 -0.41 -0.04 -1.26 -1.38 135.00 130.69 2kb3 n PRO 74 Ca 0.00 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 2kb3 n PRO 74 Cb 0.00 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.45 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kb3 h GLU 75 N 0.00 0.00 -6.48 0.54 3.07 -1.93 -3.42 114.58 106.36 2kb3 h GLU 75 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 2kb3 h GLU 75 Cb 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 2kb3 h GLU 75 CO 0.00 0.00 -0.08 -1.12 -1.40 0.00 0.00 179.01 176.41 2kb3 s SER 76 N -5.25 6.65 -0.04 1.42 0.01 -0.48 -4.86 113.70 111.15 2kb3 s SER 76 Ca 0.04 0.97 -0.23 0.00 1.31 0.00 0.00 55.95 58.05 2kb3 s SER 76 Cb 0.09 -2.25 -0.26 0.00 0.21 0.00 0.00 66.02 63.81 2kb3 s SER 76 CO 0.54 -0.09 0.99 -0.78 0.41 0.00 0.00 173.24 174.30 2kb3 h ASP 77 N 2.49 0.36 -3.29 2.44 1.82 -0.82 -3.43 116.42 116.00 2kb3 h ASP 77 Ca -0.47 -0.84 -0.63 0.00 -0.39 0.00 0.00 57.03 54.70 2kb3 h ASP 77 Cb 1.17 -0.11 -0.18 0.00 0.68 0.00 0.00 39.33 40.88 2kb3 h ASP 77 CO 0.69 1.16 -0.61 0.27 -1.61 0.00 0.00 179.24 179.14 2kb3 s ILE 78 N -2.88 4.38 -0.46 2.25 -4.36 -0.98 -4.99 121.20 114.15 2kb3 s ILE 78 Ca -0.15 -0.18 -0.19 0.00 -0.26 0.00 0.00 60.65 59.87 2kb3 s ILE 78 Cb 0.01 -2.95 0.04 0.00 1.25 0.00 0.00 42.46 40.81 2kb3 s ILE 78 CO 0.79 0.48 0.58 0.12 0.24 0.00 0.00 174.94 177.14 2kb3 s PHE 79 N 0.29 3.09 -0.32 1.37 2.19 -1.26 -3.63 117.98 119.71 2kb3 s PHE 79 Ca 0.00 -0.35 -0.11 0.00 0.33 0.00 0.00 56.93 56.80 2kb3 s PHE 79 Cb -0.13 -3.30 -0.02 0.00 -1.31 0.00 0.00 43.02 38.27 2kb3 s PHE 79 CO 0.01 -0.89 0.20 -0.51 1.83 0.00 0.00 175.22 175.86 2kb3 s LEU 80 N 2.54 4.27 -0.20 6.12 1.43 0.01 -4.95 118.68 127.90 2kb3 s LEU 80 Ca 0.16 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2kb3 s LEU 80 Cb -0.17 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 2kb3 s LEU 80 CO 0.14 -0.19 1.46 -0.62 0.23 0.00 0.00 176.35 177.38 2kb3 s ASP 81 N 1.69 6.63 0.35 2.29 2.15 -1.26 -3.51 116.67 125.01 2kb3 s ASP 81 Ca 0.06 1.64 0.08 0.00 0.43 0.00 0.00 52.55 54.76 2kb3 s ASP 81 Cb -0.17 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 2kb3 s ASP 81 CO 0.09 -1.04 0.27 -0.62 -0.17 0.00 0.00 175.17 173.70 2kb3 s ASP 82 N 3.19 5.10 0.32 -0.34 2.15 -1.26 -4.79 116.67 121.05 2kb3 s ASP 82 Ca 0.64 -0.61 0.14 0.00 0.43 0.00 0.00 52.55 53.15 2kb3 s ASP 82 Cb -0.24 -0.85 0.52 0.00 -0.30 0.00 0.00 42.92 42.06 2kb3 s ASP 82 CO 0.24 -0.39 1.69 0.58 -0.17 0.00 0.00 175.17 177.11 2kb3 h VAL 83 N 1.28 1.23 -1.09 1.11 2.07 -2.02 -3.44 116.25 115.39 2kb3 h VAL 83 Ca -0.44 -1.79 -0.56 0.00 0.82 0.00 0.00 66.70 64.72 2kb3 h VAL 83 Cb 1.26 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.97 2kb3 h VAL 83 CO 0.59 0.49 -0.39 -0.89 0.02 0.00 0.00 177.57 177.39 2kb3 s THR 84 N -3.69 2.06 -0.68 2.57 2.01 -1.26 -5.05 115.64 111.59 2kb3 s THR 84 Ca -0.01 -1.55 -0.18 0.00 0.31 0.00 0.00 61.69 60.25 2kb3 s THR 84 Cb 0.12 -2.61 0.12 0.00 0.01 0.00 0.00 72.50 70.15 2kb3 s THR 84 CO 0.73 0.00 0.79 -0.69 -0.69 0.00 0.00 174.62 174.76 2kb3 s VAL 85 N -2.66 4.91 -0.41 3.82 1.01 -1.26 -4.93 120.40 120.87 2kb3 s VAL 85 Ca 0.38 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2kb3 s VAL 85 Cb -0.00 -4.54 0.06 0.00 0.00 0.00 0.00 36.38 31.90 2kb3 s VAL 85 CO 0.22 -1.19 0.26 -0.44 0.00 0.00 0.00 175.10 173.95 2kb3 s SER 86 N 3.42 5.73 0.24 3.32 0.01 -1.25 -3.97 113.70 121.20 2kb3 s SER 86 Ca 0.16 -1.31 -0.05 0.00 1.31 0.00 0.00 55.95 56.06 2kb3 s SER 86 Cb -0.19 -2.02 0.36 0.00 0.21 0.00 0.00 66.02 64.38 2kb3 s SER 86 CO 0.01 -0.50 1.83 0.08 0.41 0.00 0.00 173.24 175.08 2kb3 h ARG 87 N 8.46 0.86 -2.85 12.44 0.11 -1.76 0.27 114.38 131.91 2kb3 h ARG 87 Ca -0.24 -0.05 -0.16 0.00 0.10 0.00 0.00 59.98 59.62 2kb3 h ARG 87 Cb 1.09 -0.19 -0.29 0.00 1.11 0.00 0.00 29.97 31.69 2kb3 h ARG 87 CO 0.74 0.57 -0.41 1.03 0.10 0.00 0.00 179.97 182.00 2kb3 s ARG 88 N -6.05 0.28 -0.25 0.08 0.52 -1.26 -4.23 118.95 108.04 2kb3 s ARG 88 Ca -0.12 0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 55.60 2kb3 s ARG 88 Cb 0.19 -0.07 -0.11 0.00 0.52 0.00 0.00 34.95 35.48 2kb3 s ARG 88 CO 0.79 -0.17 -0.35 1.58 0.02 0.00 0.00 175.30 177.16 2kb3 n HIS 89 N 4.32 0.00 -3.67 -0.53 -0.00 0.07 -4.09 115.22 111.33 2kb3 n HIS 89 Ca -0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.39 2kb3 n HIS 89 Cb 0.54 -0.88 -0.03 0.00 -0.00 0.00 0.00 29.99 29.62 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.59 -1.13 0.02 1.57 0.00 -1.03 -0.38 121.76 118.22 2kb3 s ALA 90 Ca -0.36 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2kb3 s ALA 90 Cb 0.12 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2kb3 s ALA 90 CO 0.47 -0.82 -0.05 -1.83 0.00 0.00 0.00 175.76 173.54 2kb3 s GLU 91 N -3.85 0.36 -0.16 0.00 -1.05 0.75 -0.23 118.70 114.53 2kb3 s GLU 91 Ca 0.07 -0.58 -0.06 0.00 -0.15 0.00 0.00 54.97 54.26 2kb3 s GLU 91 Cb -0.01 -0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.56 2kb3 s GLU 91 CO -0.04 0.00 0.03 -0.06 0.95 0.00 0.00 175.26 176.14 2kb3 s PHE 92 N -1.21 3.20 -0.08 4.83 0.08 0.95 -0.24 117.98 125.51 2kb3 s PHE 92 Ca -0.11 0.02 0.04 0.00 0.12 0.00 0.00 56.93 56.99 2kb3 s PHE 92 Cb -0.09 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 2kb3 s PHE 92 CO -0.00 0.18 -0.20 1.03 -0.10 0.00 0.00 175.22 176.12 2kb3 s ARG 93 N 0.14 2.52 -0.27 0.44 0.52 0.78 -0.15 118.95 122.92 2kb3 s ARG 93 Ca 0.03 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2kb3 s ARG 93 Cb -0.13 -1.97 0.04 0.00 0.52 0.00 0.00 34.95 33.41 2kb3 s ARG 93 CO 0.01 0.16 -0.05 0.42 0.02 0.00 0.00 175.30 175.86 2kb3 s ILE 94 N 0.36 2.76 -0.03 1.52 1.01 0.28 -0.15 121.20 126.95 2kb3 s ILE 94 Ca -0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 2kb3 s ILE 94 Cb -0.16 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.82 2kb3 s ILE 94 CO 0.06 0.03 0.04 0.21 0.00 0.00 0.00 174.94 175.29 2kb3 s ASN 95 N 1.25 0.55 -1.46 3.58 3.84 -0.01 -4.14 114.94 118.55 2kb3 s ASN 95 Ca -0.04 0.05 -0.10 0.00 0.21 0.00 0.00 52.86 52.99 2kb3 s ASN 95 Cb -0.19 -0.11 0.05 0.00 -0.55 0.00 0.00 41.25 40.45 2kb3 s ASN 95 CO -0.03 -0.18 0.86 -0.62 -2.79 0.00 0.00 177.10 174.33 2kb3 n GLU 96 N 4.66 -5.60 -0.75 0.43 -0.58 -1.26 -1.46 120.64 116.08 2kb3 n GLU 96 Ca -0.17 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2kb3 n GLU 96 Cb 0.50 -5.61 0.00 0.00 -0.57 0.00 0.00 31.44 25.76 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 -1.64 0.93 3.65 0.62 0.00 -1.26 -5.02 105.19 102.48 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 -0.23 3.26 -0.25 1.61 2.02 -0.53 -4.95 118.70 119.64 2kb3 s GLU 98 Ca 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 2kb3 s GLU 98 Cb 0.00 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 2kb3 s GLU 98 CO 0.00 0.57 0.04 -0.06 0.02 0.00 0.00 175.26 175.83 2kb3 s PHE 99 N -0.50 3.06 0.05 1.61 0.08 -1.26 -0.83 117.98 120.18 2kb3 s PHE 99 Ca 0.09 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.58 2kb3 s PHE 99 Cb -0.12 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2kb3 s PHE 99 CO 0.02 -0.43 -0.14 -1.83 -0.10 0.00 0.00 175.22 172.74 2kb3 s GLU 100 N 1.57 0.90 -0.23 0.44 -1.05 0.79 -0.28 118.70 120.84 2kb3 s GLU 100 Ca 0.06 -0.79 -0.08 0.00 -0.15 0.00 0.00 54.97 54.01 2kb3 s GLU 100 Cb -0.15 -0.90 -0.04 0.00 -0.44 0.00 0.00 34.13 32.60 2kb3 s GLU 100 CO 0.02 0.22 0.09 0.08 0.95 0.00 0.00 175.26 176.61 2kb3 s VAL 101 N -0.94 4.69 -0.16 1.83 1.01 0.11 -0.16 120.40 126.77 2kb3 s VAL 101 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2kb3 s VAL 101 Cb -0.08 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2kb3 s VAL 101 CO 0.01 0.37 -0.20 -0.69 0.00 0.00 0.00 175.10 174.60 2kb3 s VAL 102 N 1.14 2.15 0.09 2.92 1.01 0.67 -0.78 120.40 127.61 2kb3 s VAL 102 Ca 0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2kb3 s VAL 102 Cb -0.14 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 2kb3 s VAL 102 CO 0.04 0.54 0.92 -0.62 0.00 0.00 0.00 175.10 175.97 2kb3 s ASP 103 N 1.07 7.43 0.00 3.32 -1.08 0.10 -0.18 116.67 127.34 2kb3 s ASP 103 Ca -0.00 1.71 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 2kb3 s ASP 103 Cb -0.14 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2kb3 s ASP 103 CO -0.07 -0.05 0.65 1.33 0.52 0.00 0.00 175.17 177.55 2kb3 n VAL 104 N 2.80 0.34 -2.79 1.11 0.24 -0.49 -4.82 118.33 114.72 2kb3 n VAL 104 Ca 0.01 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 2kb3 n VAL 104 Cb 0.49 0.88 0.07 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.17 1.29 0.71 7.63 0.00 0.48 -4.82 105.19 110.31 2kb3 n GLY 105 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2kb3 n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kb3 n SER 106 N 0.11 0.79 -0.05 1.61 3.41 -1.26 -2.82 113.62 115.42 2kb3 n SER 106 Ca 0.07 -0.87 -0.02 0.00 -0.26 0.00 0.00 58.87 57.79 2kb3 n SER 106 Cb 0.73 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2kb3 n SER 106 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kb3 n LEU 107 N 0.49 0.00 0.13 1.04 4.77 -1.26 -4.52 117.00 117.65 2kb3 n LEU 107 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2kb3 n LEU 107 Cb 0.15 0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.56 2kb3 n LEU 107 CO 0.00 0.22 0.34 0.78 -1.33 0.00 0.00 177.39 177.40 2kb3 h ASN 108 N 0.00 0.00 0.00 -1.43 4.21 -1.43 0.35 115.58 117.28 2kb3 h ASN 108 Ca -0.24 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2kb3 h ASN 108 Cb 1.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.64 2kb3 h ASN 108 CO 0.01 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 2kb3 n GLY 109 N 1.19 0.75 3.71 2.83 0.00 -1.26 -4.27 105.19 108.13 2kb3 n GLY 109 Ca 0.02 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.16 5.06 -0.02 2.61 2.01 -1.26 -0.43 115.64 123.45 2kb3 s THR 110 Ca 0.00 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.34 2kb3 s THR 110 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.52 2kb3 s THR 110 CO 0.00 0.23 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.80 2kb3 s TYR 111 N 1.03 0.55 -0.04 4.92 2.02 0.25 -2.62 117.35 123.47 2kb3 s TYR 111 Ca 0.34 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.95 2kb3 s TYR 111 Cb -0.17 -0.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.97 2kb3 s TYR 111 CO 0.15 -0.07 -0.08 0.08 -1.57 0.00 0.00 175.55 174.06 2kb3 s VAL 112 N 0.28 0.75 -1.46 0.71 1.01 0.92 -0.01 120.40 122.60 2kb3 s VAL 112 Ca -0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2kb3 s VAL 112 Cb -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.66 2kb3 s VAL 112 CO -0.00 0.25 0.93 -3.20 0.00 0.00 0.00 175.10 173.08 2kb3 n ASN 113 N 3.59 -5.54 -0.62 3.32 2.85 0.99 -1.20 115.26 118.64 2kb3 n ASN 113 Ca -0.21 -0.56 -0.08 0.00 -0.11 0.00 0.00 54.58 53.62 2kb3 n ASN 113 Cb 0.53 -4.42 -0.03 0.00 1.24 0.00 0.00 39.78 37.10 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 -4.58 -1.38 -4.39 1.20 5.12 -1.21 -4.90 116.66 106.53 2kb3 n ARG 114 Ca -0.00 0.73 -0.25 0.00 -1.93 0.00 0.00 57.85 56.40 2kb3 n ARG 114 Cb 0.56 -4.92 -0.13 0.00 -1.16 0.00 0.00 32.46 26.80 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb3 s GLU 115 N -2.47 1.22 0.09 5.56 2.02 -0.34 -4.87 118.70 119.91 2kb3 s GLU 115 Ca 0.00 -1.12 -0.31 0.00 0.02 0.00 0.00 54.97 53.56 2kb3 s GLU 115 Cb 0.00 -1.47 -0.10 0.00 0.10 0.00 0.00 34.13 32.67 2kb3 s GLU 115 CO 0.00 0.35 1.88 -1.25 0.02 0.00 0.00 175.26 176.26 2kb3 s PRO 116 N -1.73 4.14 -0.16 0.39 0.04 -1.26 -0.05 135.00 136.37 2kb3 s PRO 116 Ca 0.07 2.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.60 2kb3 s PRO 116 Cb -0.10 -3.79 0.05 0.00 0.04 0.00 0.00 34.50 30.70 2kb3 s PRO 116 CO 0.04 -0.88 0.40 0.50 0.04 0.00 0.00 177.00 177.09 2kb3 s ARG 117 N 3.33 0.43 -0.19 4.56 6.06 -1.08 -4.85 118.95 127.22 2kb3 s ARG 117 Ca 0.83 0.64 -0.15 0.00 -2.50 0.00 0.00 55.73 54.55 2kb3 s ARG 117 Cb -0.45 0.12 -0.07 0.00 0.06 0.00 0.00 34.95 34.61 2kb3 s ARG 117 CO 0.38 -0.10 -0.26 0.09 -2.50 0.00 0.00 175.30 172.91 2kb3 n ASN 118 N 3.43 1.90 -4.24 -2.12 5.03 -1.26 -4.40 115.26 113.61 2kb3 n ASN 118 Ca -0.17 0.42 -0.31 0.00 0.87 0.00 0.00 54.58 55.39 2kb3 n ASN 118 Cb 0.56 -0.80 -0.17 0.00 -1.02 0.00 0.00 39.78 38.35 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb3 s ALA 119 N -2.76 2.08 -0.21 5.41 0.00 -1.26 0.03 121.76 125.05 2kb3 s ALA 119 Ca -0.27 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 2kb3 s ALA 119 Cb 0.05 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.56 2kb3 s ALA 119 CO 0.40 0.37 0.53 -1.14 0.00 0.00 0.00 175.76 175.92 2kb3 s GLN 120 N -0.01 0.56 0.16 0.00 2.00 0.04 -4.99 119.66 117.42 2kb3 s GLN 120 Ca -0.07 0.91 -0.31 0.00 -2.00 0.00 0.00 55.36 53.89 2kb3 s GLN 120 Cb -0.14 0.12 -0.10 0.00 0.80 0.00 0.00 33.01 33.69 2kb3 s GLN 120 CO 0.05 -0.13 1.51 0.08 -0.50 0.00 0.00 175.29 176.29 2kb3 s VAL 121 N 1.15 2.79 -0.19 1.34 1.01 -1.26 0.05 120.40 125.29 2kb3 s VAL 121 Ca -0.07 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2kb3 s VAL 121 Cb -0.06 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2kb3 s VAL 121 CO -0.11 0.05 0.18 0.00 0.00 0.00 0.00 175.10 175.22 2kb3 s MET 122 N 0.92 4.19 0.21 2.72 0.23 0.62 -4.88 119.30 123.31 2kb3 s MET 122 Ca 0.67 -0.12 0.09 0.00 -1.03 0.00 0.00 55.69 55.30 2kb3 s MET 122 Cb -0.42 -3.42 -0.04 0.00 -1.53 0.00 0.00 34.83 29.42 2kb3 s MET 122 CO 0.33 0.29 -0.06 -1.14 -2.03 0.00 0.00 175.02 172.41 2kb3 s GLN 123 N 0.36 2.18 0.08 3.16 2.00 -1.26 -4.64 119.66 121.54 2kb3 s GLN 123 Ca 0.11 -1.29 -0.31 0.00 -2.00 0.00 0.00 55.36 51.87 2kb3 s GLN 123 Cb -0.12 -2.18 -0.09 0.00 0.80 0.00 0.00 33.01 31.42 2kb3 s GLN 123 CO -0.00 0.42 1.84 0.99 -0.50 0.00 0.00 175.29 178.03 2kb3 s THR 124 N -1.90 2.81 0.00 -0.34 2.01 -1.26 -1.45 115.64 115.51 2kb3 s THR 124 Ca 0.27 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2kb3 s THR 124 Cb -0.08 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.34 2kb3 s THR 124 CO 0.17 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2kb3 n GLY 125 N 4.29 0.40 3.79 4.40 0.00 0.94 -1.48 105.19 117.53 2kb3 n GLY 125 Ca 0.18 0.00 -0.36 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 -2.79 7.17 -0.12 1.61 -1.08 -0.53 -4.70 116.67 116.23 2kb3 s ASP 126 Ca 0.00 1.82 0.03 0.00 -0.52 0.00 0.00 52.55 53.88 2kb3 s ASP 126 Cb 0.00 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 2kb3 s ASP 126 CO 0.00 -0.19 -0.22 -1.83 0.52 0.00 0.00 175.17 173.45 2kb3 s GLU 127 N -2.39 2.96 -0.13 4.34 -1.05 -1.26 -1.09 118.70 120.07 2kb3 s GLU 127 Ca 0.54 -0.84 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 2kb3 s GLU 127 Cb -0.16 -2.34 -0.02 0.00 -0.44 0.00 0.00 34.13 31.16 2kb3 s GLU 127 CO 0.21 0.04 -0.06 0.42 0.95 0.00 0.00 175.26 176.82 2kb3 s ILE 128 N 0.67 3.67 -0.24 1.83 1.01 0.69 -0.01 121.20 128.82 2kb3 s ILE 128 Ca -0.11 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2kb3 s ILE 128 Cb -0.16 -2.58 0.05 0.00 0.01 0.00 0.00 42.46 39.78 2kb3 s ILE 128 CO 0.02 0.52 -0.13 -1.58 0.00 0.00 0.00 174.94 173.77 2kb3 s GLN 129 N 0.16 2.35 -0.40 2.79 0.74 0.98 0.04 119.66 126.31 2kb3 s GLN 129 Ca -0.03 -1.18 -0.06 0.00 0.05 0.00 0.00 55.36 54.14 2kb3 s GLN 129 Cb -0.14 -2.77 0.09 0.00 1.10 0.00 0.00 33.01 31.29 2kb3 s GLN 129 CO 0.03 -0.48 0.22 0.42 -0.55 0.00 0.00 175.29 174.93 2kb3 s ILE 130 N 1.18 3.78 0.00 -2.34 1.01 0.01 -0.58 121.20 124.26 2kb3 s ILE 130 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 58.97 2kb3 s ILE 130 Cb -0.18 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2kb3 s ILE 130 CO -0.07 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 174.95 2kb3 n GLY 131 N 4.78 1.36 0.00 6.18 0.00 0.43 -0.19 105.19 117.75 2kb3 n GLY 131 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb3 n LYS 132 N 0.00 0.40 -3.06 1.61 5.02 -1.26 -4.93 118.16 115.95 2kb3 n LYS 132 Ca 0.00 -0.53 -0.34 0.00 -2.02 0.00 0.00 58.31 55.42 2kb3 n LYS 132 Cb 0.00 -0.64 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb3 s PHE 133 N -0.17 3.48 -0.15 2.13 0.40 0.73 -4.63 117.98 119.78 2kb3 s PHE 133 Ca 0.00 1.37 0.00 0.00 -0.60 0.00 0.00 56.93 57.70 2kb3 s PHE 133 Cb 0.00 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.92 2kb3 s PHE 133 CO 0.00 0.16 -0.14 0.50 0.70 0.00 0.00 175.22 176.44 2kb3 s ARG 134 N -2.61 2.24 -0.06 0.44 3.52 -0.87 -0.81 118.95 120.80 2kb3 s ARG 134 Ca 0.51 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 2kb3 s ARG 134 Cb -0.13 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.17 2kb3 s ARG 134 CO 0.18 -0.24 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.78 2kb3 s LEU 135 N 1.50 2.71 -0.14 -0.88 2.01 0.11 0.03 118.68 124.02 2kb3 s LEU 135 Ca 0.05 -0.23 0.01 0.00 0.01 0.00 0.00 54.13 53.97 2kb3 s LEU 135 Cb -0.13 -1.56 -0.00 0.00 0.01 0.00 0.00 46.19 44.51 2kb3 s LEU 135 CO -0.10 0.31 -0.17 -0.69 1.01 0.00 0.00 176.35 176.70 2kb3 s VAL 136 N -0.52 2.54 -0.19 -1.59 1.01 0.14 -0.23 120.40 121.56 2kb3 s VAL 136 Ca 0.07 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2kb3 s VAL 136 Cb -0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2kb3 s VAL 136 CO 0.01 0.53 0.34 0.12 0.00 0.00 0.00 175.10 176.10 2kb3 s PHE 137 N 0.63 3.40 0.20 5.22 5.36 -0.25 -0.82 117.98 131.72 2kb3 s PHE 137 Ca -0.09 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 56.52 2kb3 s PHE 137 Cb -0.16 -2.44 -0.05 0.00 -0.34 0.00 0.00 43.02 40.04 2kb3 s PHE 137 CO 0.03 0.08 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.22 2kb3 s LEU 138 N 0.99 2.55 0.52 6.12 2.01 0.45 -0.04 118.68 131.28 2kb3 s LEU 138 Ca 0.17 -1.02 -0.19 0.00 0.01 0.00 0.00 54.13 53.11 2kb3 s LEU 138 Cb -0.14 -0.63 -0.07 0.00 0.01 0.00 0.00 46.19 45.36 2kb3 s LEU 138 CO 0.06 -0.19 1.04 0.00 1.01 0.00 0.00 176.35 178.28 2kb3 s ALA 139 N -3.00 2.84 0.68 4.21 0.00 -1.26 -1.38 121.76 123.84 2kb3 s ALA 139 Ca 0.22 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 2kb3 s ALA 139 Cb -0.00 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2kb3 s ALA 139 CO 0.06 -0.45 1.12 0.20 0.00 0.00 0.00 175.76 176.69 2kb3 s GLY 140 N -2.23 2.14 0.37 0.00 0.00 -0.52 -4.38 107.32 102.70 2kb3 s GLY 140 Ca 0.66 0.56 -0.26 0.00 0.00 0.00 0.00 44.72 45.68 2kb3 s GLY 140 CO 0.25 0.92 1.16 -4.14 0.00 0.00 0.00 173.10 171.29 2kb3 s PRO 141 N -4.13 4.22 -0.97 2.90 0.02 -1.26 -4.27 135.00 131.51 2kb3 s PRO 141 Ca 0.67 1.85 -0.01 0.00 0.02 0.00 0.00 61.00 63.54 2kb3 s PRO 141 Cb -0.21 -2.82 0.31 0.00 0.02 0.00 0.00 34.50 31.80 2kb3 s PRO 141 CO 0.43 -0.18 1.49 0.00 -0.33 0.00 0.00 177.00 178.41 2kb3 n ALA 142 N 0.39 5.37 -0.01 -1.55 0.00 -1.26 -4.54 120.51 118.91 2kb3 n ALA 142 Ca 0.03 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.74 2kb3 n ALA 142 Cb 0.46 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59