#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 6.68 0.31 7.83 0.01 -1.26 -5.03 113.70 122.24 2kb3 s SER 2 Ca 0.00 0.63 0.06 0.00 1.31 0.00 0.00 55.95 57.94 2kb3 s SER 2 Cb 0.00 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2kb3 s SER 2 CO 0.00 -0.73 0.45 1.51 0.41 0.00 0.00 173.24 174.88 2kb3 s ASP 3 N 1.73 6.07 0.09 2.44 -4.77 -1.26 -5.03 116.67 115.94 2kb3 s ASP 3 Ca 0.35 -0.06 -0.31 0.00 -3.30 0.00 0.00 52.55 49.23 2kb3 s ASP 3 Cb -0.13 -1.46 -0.09 0.00 -1.09 0.00 0.00 42.92 40.15 2kb3 s ASP 3 CO 0.15 -0.34 1.76 0.21 0.70 0.00 0.00 175.17 177.65 2kb3 s ASN 4 N -4.12 6.51 -0.75 2.11 2.47 -1.26 -4.94 114.94 114.96 2kb3 s ASN 4 Ca 0.42 2.62 -0.12 0.00 0.42 0.00 0.00 52.86 56.20 2kb3 s ASN 4 Cb -0.09 -2.56 0.20 0.00 -1.45 0.00 0.00 41.25 37.34 2kb3 s ASN 4 CO 0.31 -0.96 0.66 0.54 -3.72 0.00 0.00 177.10 173.94 2kb3 s ASN 5 N 2.77 6.37 -0.18 -4.21 4.22 -1.26 -4.84 114.94 117.80 2kb3 s ASN 5 Ca 0.78 -2.61 -0.17 0.00 -2.14 0.00 0.00 52.86 48.72 2kb3 s ASN 5 Cb -0.43 -2.13 -0.21 0.00 1.28 0.00 0.00 41.25 39.76 2kb3 s ASN 5 CO 0.35 -0.56 0.26 1.23 -2.04 0.00 0.00 177.10 176.34 2kb3 h GLY 6 N 7.76 0.10 -7.58 0.45 0.00 -2.07 -3.45 103.07 98.28 2kb3 h GLY 6 Ca 0.03 -0.25 -0.71 0.00 0.00 0.00 0.00 47.33 46.40 2kb3 h GLY 6 CO 0.77 0.22 -0.51 -1.59 0.00 0.00 0.00 176.54 175.43 2kb3 s THR 7 N -2.42 4.50 0.30 4.70 2.01 -1.26 -5.07 115.64 118.39 2kb3 s THR 7 Ca -0.27 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.51 2kb3 s THR 7 Cb 0.06 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.94 2kb3 s THR 7 CO 0.65 -0.26 1.12 -2.16 -0.69 0.00 0.00 174.62 173.28 2kb3 s PRO 8 N 1.53 4.56 -0.15 4.92 0.04 -1.26 -4.98 135.00 139.66 2kb3 s PRO 8 Ca 0.02 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 2kb3 s PRO 8 Cb -0.20 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kb3 s PRO 8 CO 0.06 0.12 1.06 -1.21 0.04 0.00 0.00 177.00 177.07 2kb3 s GLU 9 N -1.58 4.34 -0.44 4.56 2.02 -1.26 -4.94 118.70 121.40 2kb3 s GLU 9 Ca 0.46 1.43 -0.28 0.00 0.02 0.00 0.00 54.97 56.61 2kb3 s GLU 9 Cb -0.32 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 2kb3 s GLU 9 CO 0.42 -0.47 1.79 -1.25 0.02 0.00 0.00 175.26 175.77 2kb3 s PRO 10 N 2.57 3.08 -0.24 0.39 0.04 -1.26 -4.91 135.00 134.68 2kb3 s PRO 10 Ca 0.48 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 2kb3 s PRO 10 Cb -0.18 -4.26 0.07 0.00 0.04 0.00 0.00 34.50 30.17 2kb3 s PRO 10 CO 0.14 -2.17 0.59 -1.14 0.04 0.00 0.00 177.00 174.45 2kb3 s GLN 11 N 6.14 0.61 -0.14 4.56 0.74 -1.26 -5.12 119.66 125.18 2kb3 s GLN 11 Ca 0.74 1.02 0.00 0.00 0.05 0.00 0.00 55.36 57.17 2kb3 s GLN 11 Cb -0.18 0.13 0.02 0.00 1.10 0.00 0.00 33.01 34.08 2kb3 s GLN 11 CO 0.29 -0.14 -0.14 0.08 -0.55 0.00 0.00 175.29 174.82 2kb3 s VAL 12 N 1.33 1.56 -0.15 1.34 1.01 -1.26 -5.10 120.40 119.12 2kb3 s VAL 12 Ca -0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2kb3 s VAL 12 Cb -0.06 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2kb3 s VAL 12 CO -0.14 0.46 -0.01 -1.83 0.00 0.00 0.00 175.10 173.57 2kb3 s GLU 13 N 1.44 3.63 1.01 2.72 1.03 -1.26 -5.29 118.70 121.99 2kb3 s GLU 13 Ca 0.04 -0.47 -0.17 0.00 0.03 0.00 0.00 54.97 54.40 2kb3 s GLU 13 Cb -0.13 -2.95 0.21 0.00 -0.80 0.00 0.00 34.13 30.46 2kb3 s GLU 13 CO -0.10 0.32 1.27 0.99 -1.33 0.00 0.00 175.26 176.41 2kb3 s THR 14 N 0.18 1.91 -0.24 1.83 2.01 -1.26 -5.13 115.64 114.94 2kb3 s THR 14 Ca -0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2kb3 s THR 14 Cb -0.13 -2.88 0.11 0.00 0.01 0.00 0.00 72.50 69.61 2kb3 s THR 14 CO 0.02 0.00 0.49 -0.55 -0.69 0.00 0.00 174.62 173.89 2kb3 s SER 16 N -4.64 -0.50 -0.28 3.53 0.15 -1.26 -4.99 113.70 105.71 2kb3 s SER 16 Ca 0.73 1.03 -0.26 0.00 0.70 0.00 0.00 55.95 58.14 2kb3 s SER 16 Cb -0.06 1.63 0.01 0.00 -1.71 0.00 0.00 66.02 65.88 2kb3 s SER 16 CO 0.54 -0.24 0.92 -0.69 1.20 0.00 0.00 173.24 174.96 2kb3 s VAL 17 N 2.70 4.71 -0.01 4.45 1.01 -1.26 -4.63 120.40 127.36 2kb3 s VAL 17 Ca 0.01 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.61 2kb3 s VAL 17 Cb -0.13 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 2kb3 s VAL 17 CO -0.15 -0.26 -0.21 0.72 0.00 0.00 0.00 175.10 175.20 2kb3 s PHE 18 N 3.16 1.86 -0.03 5.22 -0.12 -0.56 -5.03 117.98 122.49 2kb3 s PHE 18 Ca 0.38 -0.36 -0.13 0.00 -0.05 0.00 0.00 56.93 56.77 2kb3 s PHE 18 Cb -0.14 -1.19 -0.05 0.00 -0.63 0.00 0.00 43.02 41.01 2kb3 s PHE 18 CO 0.11 -0.01 0.36 -0.98 -0.05 0.00 0.00 175.22 174.65 2kb3 s ARG 19 N -0.59 3.85 0.00 1.99 1.70 -1.26 -4.58 118.95 120.06 2kb3 s ARG 19 Ca 0.08 0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 2kb3 s ARG 19 Cb -0.08 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 2kb3 s ARG 19 CO -0.00 0.69 0.00 0.00 -1.08 0.00 0.00 175.30 174.90 2kb3 n ALA 20 N 1.92 0.00 0.68 7.88 0.00 -1.26 -5.00 120.51 124.72 2kb3 n ALA 20 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.35 2kb3 n ALA 20 Cb 0.53 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.32 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kb3 n ASP 21 N -0.77 0.00 0.03 0.00 5.75 -1.26 -2.82 116.55 117.47 2kb3 n ASP 21 Ca 0.00 -0.11 0.12 0.00 -0.01 0.00 0.00 54.79 54.79 2kb3 n ASP 21 Cb 0.00 -0.16 0.57 0.00 -1.03 0.00 0.00 41.12 40.50 2kb3 n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2kb3 h LEU 22 N 0.00 0.21 0.00 -2.12 3.38 -1.95 -2.85 115.31 111.99 2kb3 h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kb3 h LEU 22 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kb3 h LEU 22 CO 0.00 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 2kb3 n LEU 23 N -4.46 0.00 -0.03 1.67 -0.00 -1.13 -2.56 117.00 110.50 2kb3 n LEU 23 Ca 0.06 0.07 0.15 0.00 -0.00 0.00 0.00 56.01 56.29 2kb3 n LEU 23 Cb 0.32 -0.07 0.71 0.00 -0.00 0.00 0.00 43.42 44.39 2kb3 n LEU 23 CO 0.35 -0.04 0.98 2.29 -0.00 0.00 0.00 177.39 180.96 2kb3 n LYS 24 N -1.07 0.46 -0.22 1.47 2.85 -1.07 -4.34 118.16 116.24 2kb3 n LYS 24 Ca 0.09 -0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.31 2kb3 n LYS 24 Cb 0.06 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.04 2kb3 n LYS 24 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2kb3 h GLU 25 N 0.13 0.06 -0.27 -1.58 -0.00 -1.76 0.00 114.58 111.15 2kb3 h GLU 25 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2kb3 h GLU 25 Cb 0.31 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.04 2kb3 h GLU 25 CO 0.00 0.04 0.13 1.98 -0.00 0.00 0.00 179.01 181.16 2kb3 h MET 26 N 0.06 0.39 0.00 1.06 4.05 -1.89 0.50 114.93 119.10 2kb3 h MET 26 Ca 0.33 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.57 2kb3 h MET 26 Cb 0.54 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 2kb3 h MET 26 CO -0.61 0.37 -0.59 1.49 0.23 0.00 0.00 176.91 177.81 2kb3 h GLU 27 N 0.31 0.00 0.00 0.39 4.81 -1.78 -2.55 114.58 115.76 2kb3 h GLU 27 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2kb3 h GLU 27 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2kb3 h GLU 27 CO -0.01 0.59 -0.03 0.43 -0.73 0.00 0.00 179.01 179.26 2kb3 n SER 28 N -3.59 0.29 0.22 1.04 7.64 -0.04 -2.60 113.62 116.58 2kb3 n SER 28 Ca -0.00 0.49 0.09 0.00 1.01 0.00 0.00 58.87 60.46 2kb3 n SER 28 Cb 0.64 -0.56 0.44 0.00 -1.01 0.00 0.00 64.21 63.73 2kb3 n SER 28 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2kb3 h SER 29 N 0.00 0.00 -1.43 6.43 0.87 -0.46 -3.36 113.55 115.60 2kb3 h SER 29 Ca 0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.06 2kb3 h SER 29 Cb 0.58 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 2kb3 h SER 29 CO 0.00 0.25 1.19 -0.89 -0.53 0.00 0.00 176.83 176.85 2kb3 s THR 30 N -3.67 3.68 0.00 2.23 2.01 -1.07 -1.92 115.64 116.90 2kb3 s THR 30 Ca 0.00 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2kb3 s THR 30 Cb 0.10 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 68.00 2kb3 s THR 30 CO 0.64 -1.54 0.00 0.61 -0.69 0.00 0.00 174.62 173.65 2kb3 n GLY 31 N 6.36 0.67 3.76 4.40 0.00 -1.26 -5.05 105.19 114.08 2kb3 n GLY 31 Ca 0.26 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.68 2.84 0.16 2.61 -1.32 -0.81 -5.03 115.64 113.41 2kb3 s THR 32 Ca 0.00 0.57 -0.05 0.00 -1.21 0.00 0.00 61.69 61.00 2kb3 s THR 32 Cb 0.00 -3.26 -0.06 0.00 -1.51 0.00 0.00 72.50 67.68 2kb3 s THR 32 CO 0.00 -0.07 0.41 0.00 -2.21 0.00 0.00 174.62 172.75 2kb3 s ALA 33 N -1.58 3.76 0.53 11.08 0.00 -1.26 -5.06 121.76 129.23 2kb3 s ALA 33 Ca 0.71 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.92 2kb3 s ALA 33 Cb -0.30 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 2kb3 s ALA 33 CO 0.34 0.62 1.33 -2.14 0.00 0.00 0.00 175.76 175.91 2kb3 s PRO 34 N -2.75 3.22 0.42 0.00 0.02 -1.26 -5.02 135.00 129.64 2kb3 s PRO 34 Ca 0.42 2.17 -0.04 0.00 0.02 0.00 0.00 61.00 63.57 2kb3 s PRO 34 Cb -0.12 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 2kb3 s PRO 34 CO 0.25 -1.10 0.70 0.00 -0.33 0.00 0.00 177.00 176.51 2kb3 s ALA 35 N -1.34 3.50 0.59 -1.55 0.00 -1.26 -5.07 121.76 116.63 2kb3 s ALA 35 Ca 0.71 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.14 2kb3 s ALA 35 Cb -0.39 -2.43 0.09 0.00 0.00 0.00 0.00 23.12 20.39 2kb3 s ALA 35 CO 0.46 -0.18 0.81 0.45 0.00 0.00 0.00 175.76 177.30 2kb3 s SER 36 N -3.95 5.02 -0.12 0.00 0.15 -1.26 -5.02 113.70 108.53 2kb3 s SER 36 Ca 0.45 -0.77 0.08 0.00 0.70 0.00 0.00 55.95 56.42 2kb3 s SER 36 Cb -0.10 0.22 0.20 0.00 -1.71 0.00 0.00 66.02 64.63 2kb3 s SER 36 CO 0.40 -1.39 1.19 1.07 1.20 0.00 0.00 173.24 175.71 2kb3 n THR 37 N -2.31 0.08 -1.38 6.45 5.66 -1.26 -4.98 114.28 116.54 2kb3 n THR 37 Ca 0.15 -0.59 -0.26 0.00 -3.05 0.00 0.00 64.05 60.29 2kb3 n THR 37 Cb 0.61 0.76 0.12 0.00 -1.55 0.00 0.00 70.33 70.27 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kb3 n GLY 38 N -0.44 5.36 0.10 1.09 0.00 -1.26 -4.11 105.19 105.93 2kb3 n GLY 38 Ca -0.19 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.00 1.27 1.41 4.61 0.00 -1.26 -2.44 120.51 123.10 2kb3 n ALA 39 Ca 0.56 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kb3 n ALA 39 Cb 1.07 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -3.20 0.81 0.10 0.00 0.28 -1.26 -3.50 120.64 113.88 2kb3 n GLU 40 Ca -0.24 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.54 2kb3 n GLU 40 Cb 1.05 -1.11 -0.15 0.00 1.43 0.00 0.00 31.44 32.66 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kb3 h ASN 41 N 0.05 0.68 -5.95 -1.84 4.21 -1.85 -3.49 115.58 107.39 2kb3 h ASN 41 Ca 0.00 -0.94 -0.35 0.00 1.21 0.00 0.00 56.30 56.22 2kb3 h ASN 41 Cb 0.11 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2kb3 h ASN 41 CO 0.00 1.58 -0.95 0.18 -1.29 0.00 0.00 177.43 176.95 2kb3 n LEU 42 N -3.90 -1.75 0.00 1.61 4.77 -1.23 -4.96 117.00 111.54 2kb3 n LEU 42 Ca -0.16 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2kb3 n LEU 42 Cb 0.98 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2kb3 n LEU 42 CO 0.55 0.14 0.08 -2.65 -1.33 0.00 0.00 177.39 174.18 2kb3 n PRO 43 N -0.96 0.00 0.00 3.23 -0.02 -1.26 -4.55 135.00 131.44 2kb3 n PRO 43 Ca -0.15 0.39 0.09 0.00 -2.02 0.00 0.00 63.50 61.81 2kb3 n PRO 43 Cb 0.55 -0.98 -0.07 0.00 -0.02 0.00 0.00 33.50 32.98 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 -1.67 4.05 -0.16 3.55 0.00 -1.24 -4.88 120.51 120.16 2kb3 n ALA 44 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2kb3 n ALA 44 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.38 1.05 3.64 0.00 0.00 -1.26 -5.02 105.19 104.98 2kb3 n GLY 45 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.90 4.35 0.08 1.61 0.01 -1.26 -4.89 113.70 110.69 2kb3 s SER 46 Ca 0.00 -0.83 -0.17 0.00 1.31 0.00 0.00 55.95 56.26 2kb3 s SER 46 Cb 0.00 -0.66 0.03 0.00 0.21 0.00 0.00 66.02 65.61 2kb3 s SER 46 CO 0.00 -0.14 0.40 0.00 0.41 0.00 0.00 173.24 173.91 2kb3 s ALA 47 N -2.43 -0.95 0.01 1.44 0.00 -0.81 -0.79 121.76 118.23 2kb3 s ALA 47 Ca 0.34 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.44 2kb3 s ALA 47 Cb -0.03 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2kb3 s ALA 47 CO 0.20 -0.54 -0.06 -0.48 0.00 0.00 0.00 175.76 174.88 2kb3 s LEU 48 N -2.37 2.10 -0.05 0.00 -0.00 -0.59 0.20 118.68 117.97 2kb3 s LEU 48 Ca -0.01 -0.26 0.05 0.00 -0.00 0.00 0.00 54.13 53.90 2kb3 s LEU 48 Cb 0.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 46.19 45.96 2kb3 s LEU 48 CO -0.07 -0.04 -0.19 -1.48 -0.00 0.00 0.00 176.35 174.57 2kb3 s LEU 49 N -0.66 2.45 -0.13 1.48 2.34 -0.12 -0.40 118.68 123.64 2kb3 s LEU 49 Ca -0.03 -0.32 -0.02 0.00 0.06 0.00 0.00 54.13 53.82 2kb3 s LEU 49 Cb -0.05 -1.47 -0.03 0.00 -0.56 0.00 0.00 46.19 44.08 2kb3 s LEU 49 CO 0.00 0.31 -0.05 -0.69 -1.06 0.00 0.00 176.35 174.86 2kb3 s VAL 50 N -0.53 3.80 -0.28 1.48 1.01 0.51 -0.94 120.40 125.45 2kb3 s VAL 50 Ca 0.07 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 2kb3 s VAL 50 Cb -0.11 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2kb3 s VAL 50 CO 0.01 0.52 0.98 -0.69 0.00 0.00 0.00 175.10 175.93 2kb3 s VAL 51 N 0.06 4.66 -0.03 2.92 1.01 -0.25 -0.50 120.40 128.26 2kb3 s VAL 51 Ca -0.01 1.73 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 2kb3 s VAL 51 Cb -0.14 -4.30 -0.30 0.00 0.00 0.00 0.00 36.38 31.64 2kb3 s VAL 51 CO 0.03 -0.28 0.73 0.11 0.00 0.00 0.00 175.10 175.68 2kb3 h LYS 52 N 7.81 0.37 -3.09 2.72 1.79 -1.42 0.15 116.57 124.90 2kb3 h LYS 52 Ca -0.21 -0.64 -0.16 0.00 -2.18 0.00 0.00 60.65 57.47 2kb3 h LYS 52 Cb 1.07 0.24 -0.25 0.00 -1.58 0.00 0.00 32.23 31.71 2kb3 h LYS 52 CO 0.97 1.28 -0.40 0.50 -1.08 0.00 0.00 179.45 180.72 2kb3 s ARG 53 N -2.59 0.34 0.00 3.15 6.06 -1.14 -4.59 118.95 120.17 2kb3 s ARG 53 Ca -0.14 0.33 0.00 0.00 -2.50 0.00 0.00 55.73 53.42 2kb3 s ARG 53 Cb 0.06 0.16 0.00 0.00 0.06 0.00 0.00 34.95 35.23 2kb3 s ARG 53 CO 0.86 -0.05 0.00 0.41 -2.50 0.00 0.00 175.30 174.02 2kb3 n GLY 54 N 2.82 0.90 0.34 8.12 0.00 -1.26 -2.25 105.19 113.87 2kb3 n GLY 54 Ca -0.13 -2.07 0.01 0.00 0.00 0.00 0.00 46.02 43.82 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 7.43 0.91 -0.60 1.61 0.11 -1.95 -1.64 132.00 137.86 2kb3 h PRO 55 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2kb3 h PRO 55 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.91 2kb3 h PRO 55 CO 0.00 0.62 0.00 0.09 -0.21 0.00 0.00 178.00 178.50 2kb3 n ASN 56 N -4.42 3.45 -4.72 -2.05 4.13 -1.26 -4.98 115.26 105.41 2kb3 n ASN 56 Ca 0.07 -2.29 -0.43 0.00 1.68 0.00 0.00 54.58 53.61 2kb3 n ASN 56 Cb 0.05 -0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 37.79 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 0.75 2.24 0.00 5.41 0.00 -0.62 -2.13 120.51 126.16 2kb3 n ALA 57 Ca 0.18 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kb3 n ALA 57 Cb 0.65 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 2.37 3.35 3.90 0.00 0.00 0.51 -4.97 105.19 110.36 2kb3 n GLY 58 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.93 3.53 0.03 4.61 0.00 -0.90 -4.87 121.76 121.23 2kb3 s ALA 59 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.55 2kb3 s ALA 59 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 2kb3 s ALA 59 CO 0.00 0.14 -0.14 -0.98 0.00 0.00 0.00 175.76 174.78 2kb3 s ARG 60 N -3.70 0.95 -0.04 0.00 3.03 -1.26 -1.09 118.95 116.83 2kb3 s ARG 60 Ca 0.46 -0.69 0.06 0.00 2.03 0.00 0.00 55.73 57.59 2kb3 s ARG 60 Cb -0.11 -0.95 -0.02 0.00 -1.03 0.00 0.00 34.95 32.85 2kb3 s ARG 60 CO 0.31 0.24 -0.21 -0.06 -1.13 0.00 0.00 175.30 174.45 2kb3 s PHE 61 N -0.74 2.50 -0.16 5.89 0.08 -0.12 -4.94 117.98 120.49 2kb3 s PHE 61 Ca 0.02 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2kb3 s PHE 61 Cb -0.07 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 2kb3 s PHE 61 CO 0.01 -0.01 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.85 2kb3 s LEU 62 N -0.51 2.81 -0.35 -0.37 0.20 -1.26 -0.95 118.68 118.25 2kb3 s LEU 62 Ca 0.07 -0.33 -0.17 0.00 0.69 0.00 0.00 54.13 54.39 2kb3 s LEU 62 Cb -0.11 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 43.98 2kb3 s LEU 62 CO 0.01 0.11 0.44 -0.76 -0.29 0.00 0.00 176.35 175.86 2kb3 s LEU 63 N 0.68 4.42 0.00 -0.68 2.01 0.13 -4.82 118.68 120.42 2kb3 s LEU 63 Ca -0.05 -0.16 0.00 0.00 0.01 0.00 0.00 54.13 53.93 2kb3 s LEU 63 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 43.59 2kb3 s LEU 63 CO 0.02 -0.42 0.36 -0.67 1.01 0.00 0.00 176.35 176.64 2kb3 n ASP 64 N 5.57 0.40 -4.30 2.29 2.03 -1.26 -1.92 116.55 119.36 2kb3 n ASP 64 Ca -0.07 -1.12 -0.29 0.00 0.52 0.00 0.00 54.79 53.83 2kb3 n ASP 64 Cb 0.49 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.74 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -0.12 1.74 0.61 -0.67 0.00 -1.26 -5.03 119.66 114.93 2kb3 s GLN 65 Ca 0.00 -1.00 0.30 0.00 -0.00 0.00 0.00 55.36 54.65 2kb3 s GLN 65 Cb 0.00 -1.84 1.65 0.00 0.00 0.00 0.00 33.01 32.82 2kb3 s GLN 65 CO 0.00 0.48 2.03 -1.35 0.00 0.00 0.00 175.29 176.46 2kb3 h PRO 66 N 5.01 0.00 -3.06 9.60 0.11 -1.92 -3.37 132.00 138.37 2kb3 h PRO 66 Ca -0.44 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 2kb3 h PRO 66 Cb 1.14 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.91 2kb3 h PRO 66 CO 0.45 0.00 -0.60 0.99 -0.21 0.00 0.00 178.00 178.62 2kb3 s THR 67 N -4.51 -0.26 -0.11 -1.15 2.01 -1.26 -1.35 115.64 109.00 2kb3 s THR 67 Ca -0.04 0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 2kb3 s THR 67 Cb 0.14 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.35 2kb3 s THR 67 CO 0.49 0.13 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.59 2kb3 s THR 68 N 2.15 1.01 0.11 -0.82 2.01 0.89 -4.99 115.64 116.00 2kb3 s THR 68 Ca 0.01 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.51 2kb3 s THR 68 Cb -0.12 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.28 2kb3 s THR 68 CO -0.06 0.36 0.64 0.42 -0.69 0.00 0.00 174.62 175.29 2kb3 s THR 69 N 1.72 4.61 -0.05 -0.82 -4.23 -1.26 0.15 115.64 115.75 2kb3 s THR 69 Ca 0.05 1.38 0.06 0.00 -1.18 0.00 0.00 61.69 62.00 2kb3 s THR 69 Cb -0.13 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.73 2kb3 s THR 69 CO -0.08 0.53 -0.24 0.00 -0.54 0.00 0.00 174.62 174.29 2kb3 s ALA 70 N -1.14 2.05 0.00 3.99 0.00 0.49 -0.50 121.76 126.65 2kb3 s ALA 70 Ca 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kb3 s ALA 70 Cb -0.21 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2kb3 s ALA 70 CO 0.22 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.78 2kb3 n GLY 71 N 2.96 0.95 3.78 0.00 0.00 -1.07 -2.67 105.19 109.15 2kb3 n GLY 71 Ca -0.17 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 0.60 3.16 0.00 1.61 3.00 0.49 -1.92 118.95 125.89 2kb3 s ARG 72 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 55.73 54.38 2kb3 s ARG 72 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 34.95 32.01 2kb3 s ARG 72 CO 0.00 0.70 0.00 0.72 0.00 0.00 0.00 175.30 176.72 2kb3 n HIS 73 N 1.71 0.00 0.41 5.12 8.25 -1.25 -4.60 115.22 124.86 2kb3 n HIS 73 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2kb3 n HIS 73 Cb 0.54 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kb3 n PRO 74 N -1.20 0.32 0.10 -0.41 -0.02 -1.26 -2.60 135.00 129.94 2kb3 n PRO 74 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 2kb3 n PRO 74 Cb 0.00 -1.12 0.02 0.00 -0.02 0.00 0.00 33.50 32.38 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kb3 h GLU 75 N 0.50 0.00 -6.22 -0.52 4.39 -1.95 -3.44 114.58 107.34 2kb3 h GLU 75 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2kb3 h GLU 75 Cb 0.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2kb3 h GLU 75 CO 0.00 0.76 -0.31 -1.12 -1.16 0.00 0.00 179.01 177.18 2kb3 s SER 76 N -6.67 6.42 0.17 1.42 0.01 -1.07 -5.01 113.70 108.96 2kb3 s SER 76 Ca 0.01 0.48 -0.15 0.00 1.31 0.00 0.00 55.95 57.60 2kb3 s SER 76 Cb 0.10 -2.04 0.11 0.00 0.21 0.00 0.00 66.02 64.40 2kb3 s SER 76 CO 0.78 -0.02 1.75 0.44 0.41 0.00 0.00 173.24 176.60 2kb3 h ASP 77 N 2.26 0.15 -3.48 2.44 5.19 -1.65 -3.35 116.42 117.99 2kb3 h ASP 77 Ca -0.47 0.05 -0.71 0.00 -0.62 0.00 0.00 57.03 55.27 2kb3 h ASP 77 Cb 1.18 0.03 -0.20 0.00 0.18 0.00 0.00 39.33 40.52 2kb3 h ASP 77 CO 0.70 0.12 -0.35 -0.63 -3.12 0.00 0.00 179.24 175.96 2kb3 s ILE 78 N -6.15 5.20 -0.34 0.35 -1.09 0.34 -4.98 121.20 114.54 2kb3 s ILE 78 Ca -0.13 -0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 57.45 2kb3 s ILE 78 Cb 0.13 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2kb3 s ILE 78 CO 0.72 -0.38 0.76 0.12 -1.23 0.00 0.00 174.94 174.93 2kb3 s PHE 79 N 1.82 3.15 -0.01 3.97 5.36 -1.26 -2.59 117.98 128.43 2kb3 s PHE 79 Ca 0.07 0.63 0.05 0.00 -0.96 0.00 0.00 56.93 56.72 2kb3 s PHE 79 Cb -0.19 -3.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.19 2kb3 s PHE 79 CO 0.11 -0.65 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.54 2kb3 s LEU 80 N 2.98 2.04 -0.31 6.12 1.43 -0.81 -4.97 118.68 125.16 2kb3 s LEU 80 Ca 0.31 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.93 2kb3 s LEU 80 Cb -0.14 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2kb3 s LEU 80 CO 0.15 0.20 0.37 -0.62 0.23 0.00 0.00 176.35 176.68 2kb3 s ASP 81 N -0.47 6.21 0.53 2.29 2.15 -1.26 -3.91 116.67 122.21 2kb3 s ASP 81 Ca 0.07 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 53.03 2kb3 s ASP 81 Cb -0.07 -2.20 0.01 0.00 -0.30 0.00 0.00 42.92 40.36 2kb3 s ASP 81 CO -0.00 -0.28 0.11 -0.67 -0.17 0.00 0.00 175.17 174.15 2kb3 n ASP 82 N 5.38 3.28 -0.09 -0.34 2.03 -1.26 -4.78 116.55 120.77 2kb3 n ASP 82 Ca -0.09 -3.20 -0.10 0.00 0.52 0.00 0.00 54.79 51.93 2kb3 n ASP 82 Cb 0.50 0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 41.13 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2kb3 h VAL 83 N 1.11 1.17 -3.75 5.18 2.07 -1.97 -3.46 116.25 116.61 2kb3 h VAL 83 Ca -0.41 -0.52 -0.19 0.00 0.82 0.00 0.00 66.70 66.40 2kb3 h VAL 83 Cb 1.31 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2kb3 h VAL 83 CO 0.68 0.18 -0.15 1.07 0.02 0.00 0.00 177.57 179.36 2kb3 n THR 84 N -4.76 0.00 -2.52 2.57 5.66 -1.26 -5.05 114.28 108.92 2kb3 n THR 84 Ca -0.02 -0.77 -0.41 0.00 -3.05 0.00 0.00 64.05 59.80 2kb3 n THR 84 Cb 0.13 0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 69.13 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 -1.94 3.75 -1.07 1.08 1.01 -1.26 -4.85 120.40 117.12 2kb3 s VAL 85 Ca 0.05 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2kb3 s VAL 85 Cb 0.00 -4.89 0.15 0.00 0.00 0.00 0.00 36.38 31.64 2kb3 s VAL 85 CO 0.04 -1.82 1.28 -0.44 0.00 0.00 0.00 175.10 174.16 2kb3 s SER 86 N 4.30 6.86 0.17 3.32 0.01 -1.26 -4.80 113.70 122.30 2kb3 s SER 86 Ca 0.40 -2.55 -0.05 0.00 1.31 0.00 0.00 55.95 55.05 2kb3 s SER 86 Cb -0.06 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2kb3 s SER 86 CO 0.09 -0.89 1.46 0.08 0.41 0.00 0.00 173.24 174.39 2kb3 h ARG 87 N 7.95 0.61 -2.73 12.44 0.11 -1.91 0.14 114.38 130.99 2kb3 h ARG 87 Ca 0.24 -0.41 -0.60 0.00 0.10 0.00 0.00 59.98 59.31 2kb3 h ARG 87 Cb 0.95 0.06 -0.39 0.00 1.11 0.00 0.00 29.97 31.69 2kb3 h ARG 87 CO 1.17 1.03 -0.81 1.03 0.10 0.00 0.00 179.97 182.49 2kb3 s ARG 88 N -3.93 1.16 -0.20 0.08 1.81 -1.26 -4.88 118.95 111.73 2kb3 s ARG 88 Ca -0.08 -2.05 -0.15 0.00 -1.72 0.00 0.00 55.73 51.73 2kb3 s ARG 88 Cb 0.11 -1.98 -0.08 0.00 -0.45 0.00 0.00 34.95 32.55 2kb3 s ARG 88 CO 0.86 -1.25 -0.33 1.58 -0.68 0.00 0.00 175.30 175.48 2kb3 n HIS 89 N 3.26 0.00 -3.62 -0.53 -0.00 -1.24 -3.11 115.22 109.97 2kb3 n HIS 89 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.80 2kb3 n HIS 89 Cb 0.39 -0.66 -0.02 0.00 -0.00 0.00 0.00 29.99 29.70 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 -2.68 -1.46 0.00 1.57 0.00 -1.09 -0.79 121.76 117.31 2kb3 s ALA 90 Ca -0.31 0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2kb3 s ALA 90 Cb 0.08 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 2kb3 s ALA 90 CO 0.42 -0.89 -0.01 -1.83 0.00 0.00 0.00 175.76 173.45 2kb3 s GLU 91 N -3.76 0.08 -0.29 0.00 -1.05 0.22 -0.38 118.70 113.52 2kb3 s GLU 91 Ca 0.06 -0.11 -0.09 0.00 -0.15 0.00 0.00 54.97 54.68 2kb3 s GLU 91 Cb -0.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.62 2kb3 s GLU 91 CO -0.04 0.00 0.13 -0.06 0.95 0.00 0.00 175.26 176.25 2kb3 s PHE 92 N -0.22 3.16 -0.13 4.83 0.40 0.12 -0.69 117.98 125.45 2kb3 s PHE 92 Ca -0.02 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 2kb3 s PHE 92 Cb -0.02 -2.33 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 2kb3 s PHE 92 CO -0.00 -0.39 -0.18 1.03 0.70 0.00 0.00 175.22 176.37 2kb3 s ARG 93 N 1.63 3.19 -0.27 0.44 0.52 0.95 -0.08 118.95 125.33 2kb3 s ARG 93 Ca 0.05 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2kb3 s ARG 93 Cb -0.16 -2.49 0.04 0.00 0.52 0.00 0.00 34.95 32.86 2kb3 s ARG 93 CO 0.06 0.13 -0.04 0.42 0.02 0.00 0.00 175.30 175.90 2kb3 s ILE 94 N 0.50 2.84 -0.04 1.52 1.09 -0.46 -0.16 121.20 126.50 2kb3 s ILE 94 Ca -0.12 -1.25 -0.01 0.00 -1.10 0.00 0.00 60.65 58.17 2kb3 s ILE 94 Cb -0.17 -2.55 0.03 0.00 -1.06 0.00 0.00 42.46 38.71 2kb3 s ILE 94 CO 0.05 0.04 0.02 0.20 -0.10 0.00 0.00 174.94 175.15 2kb3 s ASN 95 N 1.27 0.74 -1.35 3.58 0.01 -0.39 -4.09 114.94 114.71 2kb3 s ASN 95 Ca -0.03 0.01 -0.00 0.00 -0.71 0.00 0.00 52.86 52.13 2kb3 s ASN 95 Cb -0.18 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.28 2kb3 s ASN 95 CO -0.03 -0.16 0.58 -0.62 -1.51 0.00 0.00 177.10 175.36 2kb3 n GLU 96 N 4.64 -4.24 -0.68 -0.60 1.02 -1.26 -2.26 120.64 117.26 2kb3 n GLU 96 Ca -0.17 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2kb3 n GLU 96 Cb 0.50 -4.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.01 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 -1.74 0.83 3.21 0.62 0.00 -1.26 -5.02 105.19 101.82 2kb3 n GLY 97 Ca -0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.32 1.08 -0.26 1.61 2.02 -0.96 -4.77 118.70 117.10 2kb3 s GLU 98 Ca 0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 2kb3 s GLU 98 Cb 0.00 -1.17 -0.03 0.00 0.10 0.00 0.00 34.13 33.02 2kb3 s GLU 98 CO 0.00 0.29 0.11 -0.06 0.02 0.00 0.00 175.26 175.62 2kb3 s PHE 99 N -0.96 3.13 -0.07 1.61 0.40 -1.26 -1.27 117.98 119.56 2kb3 s PHE 99 Ca 0.04 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 2kb3 s PHE 99 Cb -0.09 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.17 2kb3 s PHE 99 CO 0.02 -0.31 -0.11 -1.83 0.70 0.00 0.00 175.22 173.69 2kb3 s GLU 100 N 1.65 1.57 -0.22 0.44 -1.05 0.78 -0.16 118.70 121.70 2kb3 s GLU 100 Ca 0.06 -0.35 -0.08 0.00 -0.15 0.00 0.00 54.97 54.45 2kb3 s GLU 100 Cb -0.16 -1.36 -0.04 0.00 -0.44 0.00 0.00 34.13 32.13 2kb3 s GLU 100 CO 0.06 -0.03 0.09 0.08 0.95 0.00 0.00 175.26 176.41 2kb3 s VAL 101 N 0.85 4.73 -0.16 1.83 1.01 0.95 -0.04 120.40 129.57 2kb3 s VAL 101 Ca -0.11 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2kb3 s VAL 101 Cb -0.15 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2kb3 s VAL 101 CO 0.01 0.38 -0.18 0.68 0.00 0.00 0.00 175.10 175.99 2kb3 s VAL 102 N 1.08 2.30 -0.18 2.92 -7.23 0.13 -0.95 120.40 118.47 2kb3 s VAL 102 Ca 0.05 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 2kb3 s VAL 102 Cb -0.14 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2kb3 s VAL 102 CO 0.04 0.53 1.06 -0.62 -0.31 0.00 0.00 175.10 175.80 2kb3 s ASP 103 N 0.99 7.12 0.00 4.85 -1.08 0.18 -0.61 116.67 128.12 2kb3 s ASP 103 Ca -0.02 1.47 0.09 0.00 -0.52 0.00 0.00 52.55 53.56 2kb3 s ASP 103 Cb -0.15 -2.54 -0.07 0.00 -1.46 0.00 0.00 42.92 38.70 2kb3 s ASP 103 CO -0.05 -0.62 0.42 1.33 0.52 0.00 0.00 175.17 176.78 2kb3 n VAL 104 N 5.10 0.00 -3.37 1.11 0.24 0.03 -4.80 118.33 116.64 2kb3 n VAL 104 Ca 0.11 -0.32 -0.18 0.00 -2.04 0.00 0.00 64.34 61.91 2kb3 n VAL 104 Cb 0.47 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.78 2kb3 n VAL 104 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kb3 s GLY 105 N -1.69 0.05 -1.36 7.63 0.00 -0.36 -4.86 107.32 106.73 2kb3 s GLY 105 Ca 0.04 -1.02 -0.16 0.00 0.00 0.00 0.00 44.72 43.58 2kb3 s GLY 105 CO 0.33 2.67 2.02 1.44 0.00 0.00 0.00 173.10 179.56 2kb3 n SER 106 N 4.29 4.18 -0.10 1.64 7.64 -1.26 -4.26 113.62 125.75 2kb3 n SER 106 Ca 0.10 -2.86 -0.18 0.00 1.01 0.00 0.00 58.87 56.95 2kb3 n SER 106 Cb 0.44 -1.67 -0.08 0.00 -1.01 0.00 0.00 64.21 61.89 2kb3 n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kb3 n LEU 107 N 7.30 2.33 -0.02 -3.43 -0.00 -1.26 -4.63 117.00 117.28 2kb3 n LEU 107 Ca 0.51 0.05 0.07 0.00 -0.00 0.00 0.00 56.01 56.64 2kb3 n LEU 107 Cb 0.42 -0.66 -0.16 0.00 -0.00 0.00 0.00 43.42 43.02 2kb3 n LEU 107 CO 0.85 0.66 -0.81 -3.20 -0.00 0.00 0.00 177.39 174.89 2kb3 n ASN 108 N -3.46 0.29 -1.41 1.45 2.85 -1.26 -1.49 115.26 112.22 2kb3 n ASN 108 Ca -0.38 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.09 2kb3 n ASN 108 Cb 0.84 1.77 0.00 0.00 1.24 0.00 0.00 39.78 43.63 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 1.42 -4.44 3.70 8.20 0.00 -1.26 -4.70 105.19 108.11 2kb3 n GLY 109 Ca -0.09 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.27 4.28 -0.15 2.61 2.01 -1.26 -4.68 115.64 118.18 2kb3 s THR 110 Ca 0.00 1.63 -0.00 0.00 0.31 0.00 0.00 61.69 63.62 2kb3 s THR 110 Cb 0.00 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2kb3 s THR 110 CO 0.00 0.09 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.57 2kb3 s TYR 111 N 1.41 2.81 -0.07 4.92 1.51 -1.05 -2.08 117.35 124.80 2kb3 s TYR 111 Ca 0.56 -0.91 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 2kb3 s TYR 111 Cb -0.26 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.71 2kb3 s TYR 111 CO 0.27 -0.40 -0.09 0.08 -1.11 0.00 0.00 175.55 174.30 2kb3 s VAL 112 N 0.73 0.93 -1.32 0.71 1.01 0.78 -0.51 120.40 122.73 2kb3 s VAL 112 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2kb3 s VAL 112 Cb -0.15 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2kb3 s VAL 112 CO 0.01 0.32 0.94 -3.20 0.00 0.00 0.00 175.10 173.17 2kb3 n ASN 113 N 4.11 -3.01 0.00 3.32 2.85 0.25 -1.29 115.26 121.48 2kb3 n ASN 113 Ca -0.21 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.57 2kb3 n ASN 113 Cb 0.51 -4.58 0.00 0.00 1.24 0.00 0.00 39.78 36.95 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 -4.43 -1.48 -5.05 1.20 5.12 -1.26 -4.98 116.66 105.77 2kb3 n ARG 114 Ca -0.19 0.37 -0.32 0.00 -1.93 0.00 0.00 57.85 55.78 2kb3 n ARG 114 Cb 0.63 -4.66 -0.16 0.00 -1.16 0.00 0.00 32.46 27.12 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 -1.61 2.95 -0.13 5.56 2.02 -0.41 -4.72 118.70 122.36 2kb3 s GLU 115 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.89 2kb3 s GLU 115 Cb 0.00 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 2kb3 s GLU 115 CO 0.00 0.30 1.10 -1.25 0.02 0.00 0.00 175.26 175.43 2kb3 s PRO 116 N 0.08 4.33 0.08 0.39 0.04 -1.26 -0.16 135.00 138.50 2kb3 s PRO 116 Ca -0.09 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 2kb3 s PRO 116 Cb -0.15 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 30.80 2kb3 s PRO 116 CO 0.05 -0.49 0.30 0.50 0.04 0.00 0.00 177.00 177.41 2kb3 s ARG 117 N 2.59 0.91 -0.16 4.56 3.52 -0.88 -4.99 118.95 124.49 2kb3 s ARG 117 Ca 0.50 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 55.34 2kb3 s ARG 117 Cb -0.20 0.39 -0.23 0.00 -1.56 0.00 0.00 34.95 33.35 2kb3 s ARG 117 CO 0.15 -0.31 0.19 0.09 -0.81 0.00 0.00 175.30 174.61 2kb3 n ASN 118 N 0.13 2.07 -4.24 -2.12 4.13 -1.26 -4.51 115.26 109.46 2kb3 n ASN 118 Ca -0.17 0.14 -0.31 0.00 1.68 0.00 0.00 54.58 55.92 2kb3 n ASN 118 Cb 0.62 -0.76 -0.16 0.00 -1.54 0.00 0.00 39.78 37.94 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.54 2.06 -0.11 5.41 0.00 -1.26 0.48 121.76 125.80 2kb3 s ALA 119 Ca -0.26 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 2kb3 s ALA 119 Cb 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.57 2kb3 s ALA 119 CO 0.71 0.37 0.42 -1.14 0.00 0.00 0.00 175.76 176.12 2kb3 s GLN 120 N -0.05 0.59 -0.14 0.00 2.00 -0.13 -4.98 119.66 116.94 2kb3 s GLN 120 Ca -0.06 0.36 -0.27 0.00 -2.00 0.00 0.00 55.36 53.39 2kb3 s GLN 120 Cb -0.14 0.28 -0.01 0.00 0.80 0.00 0.00 33.01 33.93 2kb3 s GLN 120 CO 0.04 -0.11 0.91 0.08 -0.50 0.00 0.00 175.29 175.71 2kb3 s VAL 121 N -0.30 4.83 -0.14 1.34 1.01 -1.26 -0.03 120.40 125.86 2kb3 s VAL 121 Ca -0.04 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 2kb3 s VAL 121 Cb -0.03 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2kb3 s VAL 121 CO 0.02 0.01 0.45 -0.32 0.00 0.00 0.00 175.10 175.27 2kb3 s MET 122 N 2.12 4.31 0.09 2.72 1.75 0.77 -4.93 119.30 126.12 2kb3 s MET 122 Ca 0.43 0.39 0.06 0.00 -1.25 0.00 0.00 55.69 55.31 2kb3 s MET 122 Cb -0.17 -3.45 -0.03 0.00 2.84 0.00 0.00 34.83 34.02 2kb3 s MET 122 CO 0.14 0.13 -0.15 -0.65 -0.65 0.00 0.00 175.02 173.84 2kb3 s GLN 123 N 0.73 0.90 0.23 4.11 -0.21 -1.26 -4.47 119.66 119.69 2kb3 s GLN 123 Ca 0.24 -1.04 -0.31 0.00 0.02 0.00 0.00 55.36 54.27 2kb3 s GLN 123 Cb -0.15 -0.90 -0.11 0.00 1.00 0.00 0.00 33.01 32.85 2kb3 s GLN 123 CO 0.09 0.20 1.58 -0.08 -2.12 0.00 0.00 175.29 174.96 2kb3 s THR 124 N -1.46 2.32 0.00 -0.19 -1.32 -1.02 -2.04 115.64 111.94 2kb3 s THR 124 Ca 0.01 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 2kb3 s THR 124 Cb -0.09 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.74 2kb3 s THR 124 CO 0.03 0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 2kb3 n GLY 125 N 2.95 0.81 3.84 6.08 0.00 0.92 -4.47 105.19 115.32 2kb3 n GLY 125 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -1.85 6.74 0.01 1.61 1.01 -0.86 -4.86 116.67 118.47 2kb3 s ASP 126 Ca 0.00 1.44 0.04 0.00 0.71 0.00 0.00 52.55 54.75 2kb3 s ASP 126 Cb 0.00 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 2kb3 s ASP 126 CO 0.00 -0.38 -0.09 -1.83 0.21 0.00 0.00 175.17 173.07 2kb3 s GLU 127 N -3.47 2.43 -0.05 8.23 4.04 -1.26 -1.25 118.70 127.37 2kb3 s GLU 127 Ca 0.57 -0.79 0.02 0.00 0.04 0.00 0.00 54.97 54.82 2kb3 s GLU 127 Cb -0.10 -2.42 0.01 0.00 0.02 0.00 0.00 34.13 31.64 2kb3 s GLU 127 CO 0.22 0.59 -0.12 0.42 -1.84 0.00 0.00 175.26 174.53 2kb3 s ILE 128 N -0.98 1.06 -0.11 1.83 1.01 0.75 -0.59 121.20 124.18 2kb3 s ILE 128 Ca 0.17 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2kb3 s ILE 128 Cb -0.11 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 2kb3 s ILE 128 CO 0.07 0.33 -0.19 -1.58 0.00 0.00 0.00 174.94 173.57 2kb3 s GLN 129 N 0.52 3.15 -0.29 2.79 0.74 0.33 -0.13 119.66 126.78 2kb3 s GLN 129 Ca -0.11 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.52 2kb3 s GLN 129 Cb -0.14 -2.43 0.07 0.00 1.10 0.00 0.00 33.01 31.61 2kb3 s GLN 129 CO 0.03 0.22 -0.04 0.42 -0.55 0.00 0.00 175.29 175.36 2kb3 s ILE 130 N 0.29 2.43 0.00 -2.34 1.09 -0.10 -2.53 121.20 120.05 2kb3 s ILE 130 Ca -0.14 -1.72 0.00 0.00 -1.10 0.00 0.00 60.65 57.69 2kb3 s ILE 130 Cb -0.17 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.73 2kb3 s ILE 130 CO 0.07 -0.18 0.00 0.61 -0.10 0.00 0.00 174.94 175.34 2kb3 n GLY 131 N 4.45 1.26 0.76 6.18 0.00 -1.26 -1.69 105.19 114.90 2kb3 n GLY 131 Ca -0.10 0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 1.84 -4.54 1.61 4.76 -1.26 -4.64 118.16 115.93 2kb3 n LYS 132 Ca 0.00 -1.57 -0.25 0.00 -2.87 0.00 0.00 58.31 53.62 2kb3 n LYS 132 Cb 0.00 -1.41 -0.14 0.00 -1.84 0.00 0.00 35.03 31.64 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2kb3 s PHE 133 N -1.92 1.81 -0.09 2.13 -0.71 -0.68 -4.77 117.98 113.75 2kb3 s PHE 133 Ca 0.23 -0.39 0.04 0.00 -1.04 0.00 0.00 56.93 55.77 2kb3 s PHE 133 Cb 0.18 -1.05 -0.01 0.00 -1.21 0.00 0.00 43.02 40.92 2kb3 s PHE 133 CO 0.33 0.13 -0.21 1.03 -1.34 0.00 0.00 175.22 175.16 2kb3 s ARG 134 N -1.39 2.95 -0.01 1.99 0.52 -0.95 -0.93 118.95 121.13 2kb3 s ARG 134 Ca 0.07 -0.83 0.07 0.00 -0.52 0.00 0.00 55.73 54.53 2kb3 s ARG 134 Cb -0.09 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 2kb3 s ARG 134 CO 0.03 0.28 -0.23 -0.51 0.02 0.00 0.00 175.30 174.88 2kb3 s LEU 135 N 0.13 2.06 -0.13 2.53 1.02 0.82 -1.05 118.68 124.05 2kb3 s LEU 135 Ca -0.11 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.60 2kb3 s LEU 135 Cb -0.16 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.86 2kb3 s LEU 135 CO 0.06 0.27 -0.11 -0.69 0.02 0.00 0.00 176.35 175.90 2kb3 s VAL 136 N -0.58 3.23 -0.10 -1.59 1.01 0.34 -0.18 120.40 122.54 2kb3 s VAL 136 Ca 0.09 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 2kb3 s VAL 136 Cb -0.09 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2kb3 s VAL 136 CO -0.00 0.52 0.38 0.12 0.00 0.00 0.00 175.10 176.12 2kb3 s PHE 137 N 0.30 3.56 0.17 5.22 5.36 -0.38 -0.36 117.98 131.84 2kb3 s PHE 137 Ca -0.09 0.80 0.08 0.00 -0.96 0.00 0.00 56.93 56.77 2kb3 s PHE 137 Cb -0.15 -2.38 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 2kb3 s PHE 137 CO 0.05 0.34 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.46 2kb3 s LEU 138 N 0.05 2.45 0.45 6.12 1.02 0.47 -0.06 118.68 129.18 2kb3 s LEU 138 Ca 0.22 -0.87 -0.22 0.00 0.02 0.00 0.00 54.13 53.28 2kb3 s LEU 138 Cb -0.15 -0.81 -0.09 0.00 0.02 0.00 0.00 46.19 45.17 2kb3 s LEU 138 CO 0.09 -0.05 1.04 0.00 0.02 0.00 0.00 176.35 177.44 2kb3 s ALA 139 N -2.12 2.95 0.19 4.21 0.00 -1.26 -1.54 121.76 124.20 2kb3 s ALA 139 Ca 0.16 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2kb3 s ALA 139 Cb -0.05 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 2kb3 s ALA 139 CO 0.07 -0.25 1.09 0.20 0.00 0.00 0.00 175.76 176.87 2kb3 s GLY 140 N -1.86 2.89 0.71 0.00 0.00 0.03 -4.56 107.32 104.54 2kb3 s GLY 140 Ca 0.64 0.82 -0.15 0.00 0.00 0.00 0.00 44.72 46.02 2kb3 s GLY 140 CO 0.22 1.61 1.20 2.56 0.00 0.00 0.00 173.10 178.69 2kb3 s PRO 141 N -0.55 2.28 -0.62 2.90 0.04 -1.26 -3.64 135.00 134.15 2kb3 s PRO 141 Ca 0.48 1.72 0.05 0.00 0.04 0.00 0.00 61.00 63.30 2kb3 s PRO 141 Cb -0.30 -1.85 0.29 0.00 0.04 0.00 0.00 34.50 32.68 2kb3 s PRO 141 CO 0.36 -1.72 0.85 0.00 0.04 0.00 0.00 177.00 176.53 2kb3 n ALA 142 N -2.59 4.38 1.62 8.56 0.00 -1.26 -4.44 120.51 126.77 2kb3 n ALA 142 Ca 0.13 -4.75 0.14 0.00 0.00 0.00 0.00 53.44 48.97 2kb3 n ALA 142 Cb 0.50 -0.85 0.63 0.00 0.00 0.00 0.00 19.45 19.73 2kb3 n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89