#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 -3.51 -4.42 7.83 3.41 -1.26 -4.93 113.62 110.74 2kb3 n SER 2 Ca 0.00 0.23 -0.36 0.00 -0.26 0.00 0.00 58.87 58.49 2kb3 n SER 2 Cb 0.00 -3.08 -0.13 0.00 -0.26 0.00 0.00 64.21 60.74 2kb3 n SER 2 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2kb3 s ASP 3 N -2.01 4.92 -0.17 4.04 -4.77 -1.26 -5.08 116.67 112.34 2kb3 s ASP 3 Ca 0.00 -0.24 -0.11 0.00 -3.30 0.00 0.00 52.55 48.91 2kb3 s ASP 3 Cb 0.00 -1.87 -0.05 0.00 -1.09 0.00 0.00 42.92 39.91 2kb3 s ASP 3 CO 0.00 -0.01 0.18 0.21 0.70 0.00 0.00 175.17 176.25 2kb3 s ASN 4 N 1.44 6.31 0.09 2.11 2.47 -1.26 -5.06 114.94 121.05 2kb3 s ASN 4 Ca 0.05 0.36 -0.31 0.00 0.42 0.00 0.00 52.86 53.39 2kb3 s ASN 4 Cb -0.15 -2.11 -0.07 0.00 -1.45 0.00 0.00 41.25 37.47 2kb3 s ASN 4 CO 0.02 0.21 1.32 0.20 -3.72 0.00 0.00 177.10 175.12 2kb3 s ASN 5 N 0.09 6.92 1.02 -4.21 -0.87 -1.26 -5.00 114.94 111.63 2kb3 s ASN 5 Ca 0.12 2.21 -0.12 0.00 -1.57 0.00 0.00 52.86 53.49 2kb3 s ASN 5 Cb -0.12 -2.58 0.20 0.00 -0.02 0.00 0.00 41.25 38.73 2kb3 s ASN 5 CO 0.01 -0.58 1.08 -0.83 -2.57 0.00 0.00 177.10 174.21 2kb3 s GLY 6 N 1.09 1.57 -0.28 0.66 0.00 -1.26 -4.96 107.32 104.14 2kb3 s GLY 6 Ca 0.62 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 2kb3 s GLY 6 CO 0.30 0.33 1.07 -1.59 0.00 0.00 0.00 173.10 173.20 2kb3 s THR 7 N -2.88 4.57 0.09 0.90 2.01 -1.26 -5.00 115.64 114.07 2kb3 s THR 7 Ca 0.66 1.86 -0.30 0.00 0.31 0.00 0.00 61.69 64.21 2kb3 s THR 7 Cb -0.20 -4.36 -0.06 0.00 0.01 0.00 0.00 72.50 67.90 2kb3 s THR 7 CO 0.59 -0.34 1.10 -2.16 -0.69 0.00 0.00 174.62 173.12 2kb3 s PRO 8 N 3.46 4.53 -0.29 4.92 0.04 -1.26 -5.02 135.00 141.37 2kb3 s PRO 8 Ca 0.45 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 2kb3 s PRO 8 Cb -0.14 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.02 2kb3 s PRO 8 CO 0.11 -0.07 0.17 -1.21 0.04 0.00 0.00 177.00 176.04 2kb3 s GLU 9 N 0.54 3.67 0.59 4.56 2.02 -1.26 -5.08 118.70 123.74 2kb3 s GLU 9 Ca 0.53 -0.50 -0.14 0.00 0.02 0.00 0.00 54.97 54.88 2kb3 s GLU 9 Cb -0.27 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2kb3 s GLU 9 CO 0.31 -0.29 1.03 -1.25 0.02 0.00 0.00 175.26 175.07 2kb3 s PRO 10 N 1.69 3.55 -0.08 0.39 0.04 -1.26 -5.07 135.00 134.27 2kb3 s PRO 10 Ca 0.06 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.09 2kb3 s PRO 10 Cb -0.16 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 2kb3 s PRO 10 CO 0.08 -0.61 -0.21 -0.65 0.04 0.00 0.00 177.00 175.65 2kb3 s GLN 11 N -4.57 2.53 -0.05 4.56 -0.21 -1.26 -5.11 119.66 115.54 2kb3 s GLN 11 Ca 0.58 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 55.18 2kb3 s GLN 11 Cb -0.12 -2.02 0.03 0.00 1.00 0.00 0.00 33.01 31.90 2kb3 s GLN 11 CO 0.43 0.22 0.02 0.08 -2.12 0.00 0.00 175.29 173.92 2kb3 s VAL 12 N 0.21 0.20 0.27 1.09 1.01 -1.26 -4.85 120.40 117.08 2kb3 s VAL 12 Ca -0.12 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2kb3 s VAL 12 Cb -0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 2kb3 s VAL 12 CO 0.06 0.22 0.03 -1.61 0.00 0.00 0.00 175.10 173.80 2kb3 s GLU 13 N 1.87 1.48 1.02 2.72 2.02 -1.26 -5.21 118.70 121.35 2kb3 s GLU 13 Ca 0.02 -1.79 -0.13 0.00 0.02 0.00 0.00 54.97 53.09 2kb3 s GLU 13 Cb -0.12 -0.68 0.20 0.00 0.10 0.00 0.00 34.13 33.62 2kb3 s GLU 13 CO -0.04 -0.16 1.10 0.99 0.02 0.00 0.00 175.26 177.18 2kb3 s THR 14 N -3.41 1.96 -0.09 3.63 2.01 -1.26 -5.04 115.64 113.45 2kb3 s THR 14 Ca 0.33 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 2kb3 s THR 14 Cb 0.07 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 70.11 2kb3 s THR 14 CO 0.12 0.00 0.51 -0.55 -0.69 0.00 0.00 174.62 174.01 2kb3 s SER 16 N -3.57 -0.47 -0.33 3.53 0.15 -1.26 -5.12 113.70 106.63 2kb3 s SER 16 Ca 0.66 0.64 -0.24 0.00 0.70 0.00 0.00 55.95 57.70 2kb3 s SER 16 Cb -0.17 0.66 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2kb3 s SER 16 CO 0.57 -0.41 0.85 -0.69 1.20 0.00 0.00 173.24 174.76 2kb3 s VAL 17 N -0.72 4.70 -0.10 4.45 1.01 -1.26 -4.99 120.40 123.50 2kb3 s VAL 17 Ca -0.08 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2kb3 s VAL 17 Cb -0.03 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2kb3 s VAL 17 CO 0.05 -0.38 -0.16 0.72 0.00 0.00 0.00 175.10 175.33 2kb3 s PHE 18 N 3.18 2.71 -0.83 5.22 -0.71 -1.26 -5.05 117.98 121.24 2kb3 s PHE 18 Ca 0.35 -0.56 -0.21 0.00 -1.04 0.00 0.00 56.93 55.46 2kb3 s PHE 18 Cb -0.13 -1.74 0.09 0.00 -1.21 0.00 0.00 43.02 40.02 2kb3 s PHE 18 CO 0.15 -0.13 1.13 -0.98 -1.34 0.00 0.00 175.22 174.05 2kb3 s ARG 19 N -0.00 3.39 0.00 1.99 1.70 -1.26 -4.80 118.95 119.96 2kb3 s ARG 19 Ca -0.05 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.00 2kb3 s ARG 19 Cb -0.14 -4.68 0.00 0.00 -0.57 0.00 0.00 34.95 29.55 2kb3 s ARG 19 CO 0.04 -1.89 0.00 0.00 -1.08 0.00 0.00 175.30 172.38 2kb3 n ALA 20 N 7.56 0.00 0.38 7.88 0.00 -1.26 -4.94 120.51 130.12 2kb3 n ALA 20 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.68 2kb3 n ALA 20 Cb 0.48 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.20 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kb3 n ASP 21 N 0.00 3.04 -0.01 0.00 9.92 -1.22 -4.62 116.55 123.67 2kb3 n ASP 21 Ca 0.00 -1.95 -0.10 0.00 -0.53 0.00 0.00 54.79 52.22 2kb3 n ASP 21 Cb 0.00 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.15 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2kb3 h LEU 22 N 3.66 -0.20 -0.25 0.64 -0.00 -1.87 0.43 115.31 117.72 2kb3 h LEU 22 Ca 0.00 0.05 -0.20 0.00 -0.00 0.00 0.00 57.88 57.73 2kb3 h LEU 22 Cb 0.82 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2kb3 h LEU 22 CO 0.00 -0.08 -0.69 0.25 -0.00 0.00 0.00 178.44 177.92 2kb3 h LEU 23 N -0.05 0.89 -0.85 0.17 6.46 -1.92 -2.13 115.31 117.87 2kb3 h LEU 23 Ca 0.07 -0.54 -0.12 0.00 -0.12 0.00 0.00 57.88 57.17 2kb3 h LEU 23 Cb 0.16 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2kb3 h LEU 23 CO -0.16 1.33 -0.46 0.50 -0.62 0.00 0.00 178.44 179.04 2kb3 h LYS 24 N 0.55 0.26 -0.57 1.25 1.63 -1.82 -2.92 116.57 114.95 2kb3 h LYS 24 Ca -0.03 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.58 2kb3 h LYS 24 Cb 1.30 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2kb3 h LYS 24 CO 0.14 0.67 0.14 1.49 -3.45 0.00 0.00 179.45 178.45 2kb3 h GLU 25 N 0.21 0.90 -0.05 1.90 4.57 0.19 0.13 114.58 122.45 2kb3 h GLU 25 Ca 0.01 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 57.91 2kb3 h GLU 25 Cb 0.89 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2kb3 h GLU 25 CO 0.07 0.84 -0.28 0.00 -1.18 0.00 0.00 179.01 178.46 2kb3 h MET 26 N 0.81 0.08 -0.01 1.92 -0.00 -1.22 0.37 114.93 116.87 2kb3 h MET 26 Ca 0.18 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.84 2kb3 h MET 26 Cb 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 2kb3 h MET 26 CO 0.00 0.35 -0.04 1.49 -0.00 0.00 0.00 176.91 178.71 2kb3 h GLU 27 N 0.07 0.05 0.00 -0.10 4.81 -1.30 -3.13 114.58 114.99 2kb3 h GLU 27 Ca 0.01 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2kb3 h GLU 27 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2kb3 h GLU 27 CO 0.04 0.69 -0.35 0.77 -0.73 0.00 0.00 179.01 179.43 2kb3 h SER 28 N -0.58 0.00 1.67 1.04 0.02 -0.70 -2.20 113.55 112.80 2kb3 h SER 28 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kb3 h SER 28 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2kb3 h SER 28 CO 0.01 0.35 0.00 0.77 -1.14 0.00 0.00 176.83 176.81 2kb3 h SER 29 N 0.00 0.00 -2.80 3.07 4.64 -1.01 -3.43 113.55 114.02 2kb3 h SER 29 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2kb3 h SER 29 Cb 0.76 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.80 2kb3 h SER 29 CO 0.04 0.00 1.15 -0.89 -0.87 0.00 0.00 176.83 176.26 2kb3 s THR 30 N -3.14 3.72 0.22 2.95 2.01 -0.83 -4.14 115.64 116.43 2kb3 s THR 30 Ca 0.09 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2kb3 s THR 30 Cb 0.10 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2kb3 s THR 30 CO 0.62 -0.95 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 2kb3 n GLY 31 N 5.30 -1.81 3.24 4.40 0.00 -1.26 -5.03 105.19 110.03 2kb3 n GLY 31 Ca 0.16 0.41 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.45 2.79 -0.34 2.61 2.01 -1.26 -5.08 115.64 114.92 2kb3 s THR 32 Ca 0.00 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 2kb3 s THR 32 Cb 0.00 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 2kb3 s THR 32 CO 0.00 0.48 0.44 0.00 -0.69 0.00 0.00 174.62 174.85 2kb3 s ALA 33 N 1.25 3.49 0.37 7.40 0.00 -1.26 -5.03 121.76 127.98 2kb3 s ALA 33 Ca 0.03 -1.08 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 2kb3 s ALA 33 Cb -0.14 -2.91 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 2kb3 s ALA 33 CO -0.06 -1.11 1.44 -0.35 0.00 0.00 0.00 175.76 175.69 2kb3 n PRO 34 N 5.55 2.55 -4.02 0.00 -0.04 -1.26 -5.00 135.00 132.77 2kb3 n PRO 34 Ca -0.07 0.89 -0.21 0.00 -0.04 0.00 0.00 63.50 64.08 2kb3 n PRO 34 Cb 0.49 -2.59 -0.17 0.00 -0.04 0.00 0.00 33.50 31.19 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 s ALA 35 N -1.11 0.67 -0.22 0.55 0.00 -1.26 -4.73 121.76 115.65 2kb3 s ALA 35 Ca 0.54 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2kb3 s ALA 35 Cb -0.50 -0.52 0.11 0.00 0.00 0.00 0.00 23.12 22.21 2kb3 s ALA 35 CO 0.63 -0.16 0.28 -1.12 0.00 0.00 0.00 175.76 175.39 2kb3 s SER 36 N 1.25 0.99 -0.77 0.00 0.01 -1.17 -4.98 113.70 109.03 2kb3 s SER 36 Ca -0.06 -0.09 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 2kb3 s SER 36 Cb -0.14 0.65 0.08 0.00 0.21 0.00 0.00 66.02 66.82 2kb3 s SER 36 CO -0.02 -0.32 1.08 0.42 0.41 0.00 0.00 173.24 174.81 2kb3 s THR 37 N 2.41 4.32 0.00 1.44 -4.23 -1.26 -4.14 115.64 114.17 2kb3 s THR 37 Ca 0.09 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 2kb3 s THR 37 Cb -0.16 -4.77 0.00 0.00 1.34 0.00 0.00 72.50 68.92 2kb3 s THR 37 CO -0.15 -1.56 0.07 0.61 -0.54 0.00 0.00 174.62 173.06 2kb3 n GLY 38 N 5.52 0.43 0.13 3.99 0.00 -1.26 -4.93 105.19 109.07 2kb3 n GLY 38 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.60 -0.01 4.61 0.00 -1.91 -1.49 119.26 121.06 2kb3 h ALA 39 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kb3 h ALA 39 Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kb3 h ALA 39 CO 0.00 0.18 -0.41 -0.85 0.00 0.00 0.00 179.25 178.17 2kb3 n GLU 40 N -2.79 0.59 -0.13 0.00 0.00 -1.26 -4.06 120.64 112.99 2kb3 n GLU 40 Ca -0.01 -0.38 -0.21 0.00 0.00 0.00 0.00 57.16 56.56 2kb3 n GLU 40 Cb 0.60 -1.49 -0.12 0.00 0.00 0.00 0.00 31.44 30.44 2kb3 n GLU 40 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2kb3 n ASN 41 N -0.87 1.98 -3.01 -1.84 2.85 -1.16 -5.07 115.26 108.14 2kb3 n ASN 41 Ca 0.09 -0.03 -0.13 0.00 -0.11 0.00 0.00 54.58 54.40 2kb3 n ASN 41 Cb 0.36 -0.50 0.01 0.00 1.24 0.00 0.00 39.78 40.89 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kb3 n LEU 42 N -3.48 -6.76 0.27 1.20 7.99 -0.57 -4.96 117.00 110.68 2kb3 n LEU 42 Ca -0.48 0.32 -0.16 0.00 -0.01 0.00 0.00 56.01 55.68 2kb3 n LEU 42 Cb 0.97 -3.05 -0.08 0.00 -0.11 0.00 0.00 43.42 41.15 2kb3 n LEU 42 CO 0.21 -1.77 0.63 1.55 -1.51 0.00 0.00 177.39 176.49 2kb3 h PRO 43 N 1.80 -0.64 -0.01 3.23 0.13 -1.91 -3.26 132.00 131.34 2kb3 h PRO 43 Ca -0.11 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2kb3 h PRO 43 Cb 1.08 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kb3 h PRO 43 CO 0.22 -0.37 -0.72 0.00 -0.23 0.00 0.00 178.00 176.90 2kb3 n ALA 44 N -2.45 4.12 0.00 -0.56 0.00 -1.26 -4.95 120.51 115.41 2kb3 n ALA 44 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2kb3 n ALA 44 Cb 0.30 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.46 2.56 3.32 0.00 0.00 -1.23 -4.93 105.19 106.37 2kb3 n GLY 45 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.00 2.69 0.08 1.61 0.01 -1.26 -4.92 113.70 108.91 2kb3 s SER 46 Ca 0.00 -0.80 -0.16 0.00 1.31 0.00 0.00 55.95 56.30 2kb3 s SER 46 Cb 0.00 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2kb3 s SER 46 CO 0.00 0.01 0.37 0.00 0.41 0.00 0.00 173.24 174.03 2kb3 s ALA 47 N -1.73 -0.86 0.16 1.44 0.00 -1.26 -4.31 121.76 115.21 2kb3 s ALA 47 Ca 0.13 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.20 2kb3 s ALA 47 Cb -0.07 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2kb3 s ALA 47 CO 0.06 -0.53 -0.15 -0.48 0.00 0.00 0.00 175.76 174.66 2kb3 s LEU 48 N -2.40 2.47 -0.03 0.00 0.05 -0.11 -1.76 118.68 116.91 2kb3 s LEU 48 Ca -0.01 -0.91 0.07 0.00 0.05 0.00 0.00 54.13 53.33 2kb3 s LEU 48 Cb 0.01 -0.64 -0.02 0.00 -2.05 0.00 0.00 46.19 43.49 2kb3 s LEU 48 CO -0.07 -0.14 -0.24 -1.48 -0.55 0.00 0.00 176.35 173.87 2kb3 s LEU 49 N -2.85 2.04 -0.05 1.48 0.05 0.38 -0.65 118.68 119.09 2kb3 s LEU 49 Ca 0.16 -0.45 0.05 0.00 0.05 0.00 0.00 54.13 53.94 2kb3 s LEU 49 Cb -0.03 -1.26 -0.01 0.00 -2.05 0.00 0.00 46.19 42.84 2kb3 s LEU 49 CO 0.05 0.27 -0.20 0.54 -0.55 0.00 0.00 176.35 176.46 2kb3 s VAL 50 N -0.40 1.66 -0.30 1.48 0.11 -0.28 -0.29 120.40 122.38 2kb3 s VAL 50 Ca 0.04 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 57.96 2kb3 s VAL 50 Cb -0.11 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 2kb3 s VAL 50 CO 0.01 0.47 1.03 -0.69 -3.33 0.00 0.00 175.10 172.59 2kb3 s VAL 51 N -0.08 4.57 -0.08 2.04 1.01 -0.77 -0.68 120.40 126.41 2kb3 s VAL 51 Ca -0.03 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.71 2kb3 s VAL 51 Cb -0.12 -4.37 -0.25 0.00 0.00 0.00 0.00 36.38 31.65 2kb3 s VAL 51 CO 0.02 -0.40 0.53 1.17 0.00 0.00 0.00 175.10 176.42 2kb3 n LYS 52 N 6.70 0.69 -3.75 2.72 3.00 0.11 -0.39 118.16 127.25 2kb3 n LYS 52 Ca 0.11 0.28 -0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2kb3 n LYS 52 Cb 0.47 -1.76 -0.11 0.00 0.00 0.00 0.00 35.03 33.63 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 -2.58 0.34 0.00 1.64 3.52 -1.06 -4.59 118.95 116.23 2kb3 s ARG 53 Ca -0.13 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 2kb3 s ARG 53 Cb 0.07 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2kb3 s ARG 53 CO 0.80 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 2kb3 n GLY 54 N 3.24 -0.01 0.16 8.12 0.00 -1.26 -0.39 105.19 115.04 2kb3 n GLY 54 Ca -0.16 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 4.60 -0.12 -0.83 1.61 0.11 -1.89 -2.70 132.00 132.79 2kb3 h PRO 55 Ca 0.00 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 2kb3 h PRO 55 Cb 0.00 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 2kb3 h PRO 55 CO 0.00 -0.08 0.10 0.27 -0.21 0.00 0.00 178.00 178.08 2kb3 n ASN 56 N -5.25 3.66 -4.74 -2.05 6.94 -1.26 -4.96 115.26 107.60 2kb3 n ASN 56 Ca -0.03 -2.65 -0.40 0.00 -0.02 0.00 0.00 54.58 51.48 2kb3 n ASN 56 Cb 0.17 -0.63 0.02 0.00 -2.36 0.00 0.00 39.78 36.98 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 n ALA 57 N 0.14 1.76 0.00 -2.53 0.00 -1.02 -2.65 120.51 116.21 2kb3 n ALA 57 Ca 0.21 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2kb3 n ALA 57 Cb 0.90 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 0.67 2.97 3.74 0.00 0.00 0.48 -4.96 105.19 108.09 2kb3 n GLY 58 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.72 3.32 -0.09 4.61 0.00 -1.08 -4.89 121.76 120.91 2kb3 s ALA 59 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 2kb3 s ALA 59 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 2kb3 s ALA 59 CO 0.00 0.02 -0.01 -0.98 0.00 0.00 0.00 175.76 174.79 2kb3 s ARG 60 N 0.04 3.06 -0.08 0.00 1.70 -1.26 -1.85 118.95 120.55 2kb3 s ARG 60 Ca 0.41 -0.43 0.02 0.00 -0.47 0.00 0.00 55.73 55.26 2kb3 s ARG 60 Cb -0.21 -2.80 0.01 0.00 -0.57 0.00 0.00 34.95 31.38 2kb3 s ARG 60 CO 0.25 0.64 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.92 2kb3 s PHE 61 N -0.71 1.65 -0.03 5.89 0.08 0.60 -5.00 117.98 120.46 2kb3 s PHE 61 Ca 0.11 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.33 2kb3 s PHE 61 Cb -0.12 -1.21 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 2kb3 s PHE 61 CO 0.02 -0.37 0.40 -0.51 -0.10 0.00 0.00 175.22 174.66 2kb3 s LEU 62 N 0.87 4.43 -0.61 -0.37 1.02 -1.26 -0.47 118.68 122.28 2kb3 s LEU 62 Ca -0.10 0.89 -0.25 0.00 0.02 0.00 0.00 54.13 54.69 2kb3 s LEU 62 Cb -0.15 -2.56 0.05 0.00 0.02 0.00 0.00 46.19 43.54 2kb3 s LEU 62 CO 0.01 0.27 1.04 -0.76 0.02 0.00 0.00 176.35 176.92 2kb3 s LEU 63 N -0.71 3.94 0.00 1.79 2.01 -0.72 -4.70 118.68 120.28 2kb3 s LEU 63 Ca 0.23 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.89 2kb3 s LEU 63 Cb -0.16 -2.72 0.00 0.00 0.01 0.00 0.00 46.19 43.32 2kb3 s LEU 63 CO 0.12 -1.42 0.00 -0.67 1.01 0.00 0.00 176.35 175.39 2kb3 n ASP 64 N 7.97 2.09 -4.68 2.29 2.03 -1.26 -4.51 116.55 120.47 2kb3 n ASP 64 Ca 0.01 -0.19 -0.34 0.00 0.52 0.00 0.00 54.79 54.79 2kb3 n ASP 64 Cb 0.47 0.80 -0.09 0.00 -0.72 0.00 0.00 41.12 41.58 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -1.22 2.89 0.66 -0.67 -2.07 -1.26 -4.99 119.66 113.00 2kb3 s GLN 65 Ca 0.00 -0.51 0.33 0.00 -1.82 0.00 0.00 55.36 53.36 2kb3 s GLN 65 Cb 0.00 -2.73 1.77 0.00 -1.09 0.00 0.00 33.01 30.96 2kb3 s GLN 65 CO 0.00 0.66 2.00 -1.00 -1.32 0.00 0.00 175.29 175.63 2kb3 h PRO 66 N 4.72 0.00 -2.86 9.60 0.13 -1.93 -3.37 132.00 138.29 2kb3 h PRO 66 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 2kb3 h PRO 66 Cb 1.18 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.00 2kb3 h PRO 66 CO 0.56 0.00 -0.51 0.99 -0.23 0.00 0.00 178.00 178.81 2kb3 s THR 67 N -4.09 -0.36 -0.22 1.56 2.01 -1.26 -0.65 115.64 112.62 2kb3 s THR 67 Ca -0.04 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2kb3 s THR 67 Cb 0.09 -0.45 0.04 0.00 0.01 0.00 0.00 72.50 72.20 2kb3 s THR 67 CO 0.30 0.11 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.31 2kb3 s THR 68 N 2.24 2.04 0.09 -0.82 2.01 0.82 -4.97 115.64 117.05 2kb3 s THR 68 Ca -0.01 -1.31 -0.13 0.00 0.31 0.00 0.00 61.69 60.55 2kb3 s THR 68 Cb -0.12 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 2kb3 s THR 68 CO -0.09 0.18 0.46 -0.89 -0.69 0.00 0.00 174.62 173.59 2kb3 s THR 69 N 1.21 4.98 -0.03 -0.82 2.01 -1.26 0.01 115.64 121.73 2kb3 s THR 69 Ca -0.03 0.69 0.07 0.00 0.31 0.00 0.00 61.69 62.72 2kb3 s THR 69 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2kb3 s THR 69 CO -0.08 0.33 -0.24 0.00 -0.69 0.00 0.00 174.62 173.93 2kb3 s ALA 70 N -1.36 2.22 0.00 7.40 0.00 0.70 -1.48 121.76 129.24 2kb3 s ALA 70 Ca 0.33 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2kb3 s ALA 70 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2kb3 s ALA 70 CO 0.18 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.86 2kb3 n GLY 71 N 2.53 0.08 3.29 0.00 0.00 -0.84 -2.12 105.19 108.13 2kb3 n GLY 71 Ca -0.16 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2kb3 n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kb3 s ARG 72 N -1.17 2.65 0.00 1.61 1.70 -1.16 -1.90 118.95 120.68 2kb3 s ARG 72 Ca 0.00 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 2kb3 s ARG 72 Cb 0.00 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 2kb3 s ARG 72 CO 0.00 0.37 0.00 0.72 -1.08 0.00 0.00 175.30 175.31 2kb3 n HIS 73 N 2.98 0.00 0.46 5.89 8.25 -1.26 -4.76 115.22 126.78 2kb3 n HIS 73 Ca -0.18 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.41 2kb3 n HIS 73 Cb 0.52 0.00 0.47 0.00 1.12 0.00 0.00 29.99 32.10 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kb3 h PRO 74 N 0.00 0.00 0.00 -0.41 0.11 -2.01 -2.70 132.00 126.99 2kb3 h PRO 74 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2kb3 h PRO 74 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2kb3 h PRO 74 CO 0.00 0.00 -0.38 0.93 -0.21 0.00 0.00 178.00 178.34 2kb3 h GLU 75 N 0.00 0.00 -5.85 1.05 3.07 -1.98 -3.42 114.58 107.45 2kb3 h GLU 75 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 2kb3 h GLU 75 Cb 0.52 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.35 2kb3 h GLU 75 CO 0.00 0.38 0.45 -1.54 -1.40 0.00 0.00 179.01 176.90 2kb3 s SER 76 N -6.38 6.88 0.22 1.42 1.04 -1.02 -4.69 113.70 111.17 2kb3 s SER 76 Ca 0.04 1.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.54 2kb3 s SER 76 Cb 0.07 -2.44 0.20 0.00 0.10 0.00 0.00 66.02 63.95 2kb3 s SER 76 CO 0.72 -0.48 1.58 -0.78 0.98 0.00 0.00 173.24 175.26 2kb3 h ASP 77 N 7.55 0.59 -3.06 7.02 3.58 -1.61 -3.37 116.42 127.12 2kb3 h ASP 77 Ca -0.25 -0.27 -0.74 0.00 0.42 0.00 0.00 57.03 56.19 2kb3 h ASP 77 Cb 1.11 -0.17 -0.22 0.00 1.72 0.00 0.00 39.33 41.77 2kb3 h ASP 77 CO 0.86 0.95 -0.01 -0.63 -2.88 0.00 0.00 179.24 177.53 2kb3 s ILE 78 N -4.18 5.07 -0.35 2.25 -1.09 -0.55 -5.01 121.20 117.34 2kb3 s ILE 78 Ca -0.07 -1.38 -0.19 0.00 -2.23 0.00 0.00 60.65 56.78 2kb3 s ILE 78 Cb 0.12 -4.43 -0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2kb3 s ILE 78 CO 0.83 -1.02 0.54 0.12 -1.23 0.00 0.00 174.94 174.18 2kb3 s PHE 79 N 1.96 3.18 -0.11 3.97 5.36 -1.26 -1.99 117.98 129.09 2kb3 s PHE 79 Ca 0.09 0.24 -0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2kb3 s PHE 79 Cb -0.25 -2.96 -0.02 0.00 -0.34 0.00 0.00 43.02 39.44 2kb3 s PHE 79 CO 0.03 -0.55 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.64 2kb3 s LEU 80 N 2.46 3.00 -0.12 6.12 1.43 -0.80 -4.94 118.68 125.83 2kb3 s LEU 80 Ca 0.20 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2kb3 s LEU 80 Cb -0.15 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2kb3 s LEU 80 CO 0.13 0.25 -0.19 1.51 0.23 0.00 0.00 176.35 178.28 2kb3 s ASP 81 N -0.15 3.42 0.32 2.29 -4.77 -1.26 -4.54 116.67 111.98 2kb3 s ASP 81 Ca 0.01 -0.50 -0.01 0.00 -3.30 0.00 0.00 52.55 48.75 2kb3 s ASP 81 Cb -0.13 -1.49 0.01 0.00 -1.09 0.00 0.00 42.92 40.21 2kb3 s ASP 81 CO 0.03 0.13 0.44 -0.67 0.70 0.00 0.00 175.17 175.81 2kb3 n ASP 82 N 3.71 -1.24 0.12 2.11 -0.08 -1.26 -4.76 116.55 115.16 2kb3 n ASP 82 Ca -0.19 -2.74 0.03 0.00 -1.51 0.00 0.00 54.79 50.37 2kb3 n ASP 82 Cb 0.52 2.32 0.00 0.00 2.34 0.00 0.00 41.12 46.31 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2kb3 h VAL 83 N 1.93 0.73 -2.69 5.18 2.07 -2.06 -3.39 116.25 118.02 2kb3 h VAL 83 Ca -0.25 -2.09 -0.59 0.00 0.82 0.00 0.00 66.70 64.60 2kb3 h VAL 83 Cb 1.09 2.29 -0.39 0.00 -1.52 0.00 0.00 31.29 32.76 2kb3 h VAL 83 CO 0.34 0.41 -0.82 -0.89 0.02 0.00 0.00 177.57 176.63 2kb3 s THR 84 N -2.97 0.45 0.08 2.57 2.01 -1.26 -5.11 115.64 111.40 2kb3 s THR 84 Ca 0.02 -1.89 0.01 0.00 0.31 0.00 0.00 61.69 60.15 2kb3 s THR 84 Cb 0.08 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2kb3 s THR 84 CO 0.76 -0.96 0.17 -0.69 -0.69 0.00 0.00 174.62 173.22 2kb3 s VAL 85 N 0.93 5.09 0.13 3.82 1.01 -1.26 -4.97 120.40 125.16 2kb3 s VAL 85 Ca 0.18 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 2kb3 s VAL 85 Cb -0.23 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2kb3 s VAL 85 CO -0.00 0.11 0.47 -0.44 0.00 0.00 0.00 175.10 175.24 2kb3 s SER 86 N -2.56 6.68 0.34 3.32 0.01 -1.26 -4.98 113.70 115.25 2kb3 s SER 86 Ca 0.33 0.88 0.25 0.00 1.31 0.00 0.00 55.95 58.72 2kb3 s SER 86 Cb -0.12 -2.21 0.59 0.00 0.21 0.00 0.00 66.02 64.48 2kb3 s SER 86 CO 0.26 0.09 1.70 0.08 0.41 0.00 0.00 173.24 175.78 2kb3 h ARG 87 N 3.36 0.00 -2.59 12.44 0.11 -1.92 -3.08 114.38 122.69 2kb3 h ARG 87 Ca -0.48 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.06 2kb3 h ARG 87 Cb 1.19 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.88 2kb3 h ARG 87 CO 0.67 0.00 -0.81 0.50 0.10 0.00 0.00 179.97 180.44 2kb3 s ARG 88 N -3.17 0.42 -0.20 0.08 3.52 -1.26 -4.39 118.95 113.94 2kb3 s ARG 88 Ca 0.08 -0.97 -0.17 0.00 -0.13 0.00 0.00 55.73 54.54 2kb3 s ARG 88 Cb 0.08 -1.18 -0.13 0.00 -1.56 0.00 0.00 34.95 32.16 2kb3 s ARG 88 CO 0.63 -1.14 -0.01 1.58 -0.81 0.00 0.00 175.30 175.56 2kb3 n HIS 89 N 4.53 0.79 -3.66 5.12 -0.00 -0.90 -4.28 115.22 116.82 2kb3 n HIS 89 Ca 0.05 0.34 -0.12 0.00 -0.00 0.00 0.00 57.72 57.99 2kb3 n HIS 89 Cb 0.40 -0.96 -0.06 0.00 -0.00 0.00 0.00 29.99 29.36 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 -2.52 -0.98 -0.03 1.57 0.00 -1.05 -0.81 121.76 117.96 2kb3 s ALA 90 Ca -0.26 0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2kb3 s ALA 90 Cb 0.06 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.61 2kb3 s ALA 90 CO 0.47 -0.50 -0.07 -1.83 0.00 0.00 0.00 175.76 173.82 2kb3 s GLU 91 N -2.78 0.86 -0.29 0.00 -1.05 0.26 -0.22 118.70 115.48 2kb3 s GLU 91 Ca -0.03 -0.24 -0.09 0.00 -0.15 0.00 0.00 54.97 54.45 2kb3 s GLU 91 Cb -0.00 -0.81 -0.02 0.00 -0.44 0.00 0.00 34.13 32.86 2kb3 s GLU 91 CO -0.05 0.07 0.12 -0.06 0.95 0.00 0.00 175.26 176.30 2kb3 s PHE 92 N 0.30 3.15 -0.18 4.83 0.08 0.10 -0.12 117.98 126.15 2kb3 s PHE 92 Ca -0.04 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.42 2kb3 s PHE 92 Cb -0.09 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2kb3 s PHE 92 CO 0.00 -0.41 0.06 1.03 -0.10 0.00 0.00 175.22 175.80 2kb3 s ARG 93 N 1.61 3.92 -0.27 0.44 0.52 0.81 -0.13 118.95 125.85 2kb3 s ARG 93 Ca 0.05 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2kb3 s ARG 93 Cb -0.16 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.14 2kb3 s ARG 93 CO 0.05 0.31 -0.02 0.42 0.02 0.00 0.00 175.30 176.09 2kb3 s ILE 94 N 0.25 3.03 -0.04 1.52 1.09 0.18 -0.30 121.20 126.93 2kb3 s ILE 94 Ca 0.04 -1.13 -0.01 0.00 -1.10 0.00 0.00 60.65 58.44 2kb3 s ILE 94 Cb -0.12 -2.62 0.03 0.00 -1.06 0.00 0.00 42.46 38.69 2kb3 s ILE 94 CO 0.00 0.07 0.03 0.21 -0.10 0.00 0.00 174.94 175.15 2kb3 s ASN 95 N 1.31 1.03 -1.46 3.58 3.84 0.07 -4.45 114.94 118.86 2kb3 s ASN 95 Ca -0.02 0.01 -0.09 0.00 0.21 0.00 0.00 52.86 52.97 2kb3 s ASN 95 Cb -0.18 -0.23 0.04 0.00 -0.55 0.00 0.00 41.25 40.33 2kb3 s ASN 95 CO -0.02 -0.20 0.85 -0.62 -2.79 0.00 0.00 177.10 174.32 2kb3 n GLU 96 N 4.94 -5.65 -1.01 0.43 -0.58 -1.26 -1.47 120.64 116.04 2kb3 n GLU 96 Ca -0.11 0.73 -0.00 0.00 -0.42 0.00 0.00 57.16 57.36 2kb3 n GLU 96 Cb 0.50 -5.63 -0.00 0.00 -0.57 0.00 0.00 31.44 25.74 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 -1.65 0.46 3.44 0.62 0.00 -1.26 -5.03 105.19 101.78 2kb3 n GLY 97 Ca -0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.79 2.24 -0.22 1.61 2.02 -0.54 -4.99 118.70 118.02 2kb3 s GLU 98 Ca 0.00 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 54.11 2kb3 s GLU 98 Cb 0.00 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 32.01 2kb3 s GLU 98 CO 0.00 0.57 -0.09 -0.06 0.02 0.00 0.00 175.26 175.70 2kb3 s PHE 99 N -0.80 2.96 0.05 1.61 0.40 -1.26 -0.75 117.98 120.19 2kb3 s PHE 99 Ca 0.13 -1.39 0.09 0.00 -0.60 0.00 0.00 56.93 55.15 2kb3 s PHE 99 Cb -0.10 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 2kb3 s PHE 99 CO 0.02 -0.69 -0.24 -1.83 0.70 0.00 0.00 175.22 173.18 2kb3 s GLU 100 N 1.36 1.58 -0.22 0.44 -1.05 0.58 -0.60 118.70 120.79 2kb3 s GLU 100 Ca 0.03 -1.06 -0.08 0.00 -0.15 0.00 0.00 54.97 53.70 2kb3 s GLU 100 Cb -0.15 -1.76 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 2kb3 s GLU 100 CO -0.06 0.45 0.10 0.08 0.95 0.00 0.00 175.26 176.77 2kb3 s VAL 101 N -0.84 4.78 -0.18 1.83 1.01 0.12 -0.14 120.40 126.99 2kb3 s VAL 101 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2kb3 s VAL 101 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2kb3 s VAL 101 CO 0.02 0.38 -0.13 -0.69 0.00 0.00 0.00 175.10 174.68 2kb3 s VAL 102 N 1.06 2.72 -0.14 2.92 1.01 0.83 -0.77 120.40 128.03 2kb3 s VAL 102 Ca 0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 2kb3 s VAL 102 Cb -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2kb3 s VAL 102 CO 0.04 0.50 0.05 -0.62 0.00 0.00 0.00 175.10 175.06 2kb3 s ASP 103 N 1.09 5.57 0.00 3.32 2.15 0.08 -0.57 116.67 128.31 2kb3 s ASP 103 Ca -0.00 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.13 2kb3 s ASP 103 Cb -0.14 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.66 2kb3 s ASP 103 CO -0.04 0.27 0.30 1.33 -0.17 0.00 0.00 175.17 176.87 2kb3 n VAL 104 N 2.87 0.03 -2.78 1.11 0.24 -0.29 -4.85 118.33 114.66 2kb3 n VAL 104 Ca -0.18 -0.29 -0.32 0.00 -2.04 0.00 0.00 64.34 61.51 2kb3 n VAL 104 Cb 0.53 1.40 -0.02 0.00 -1.47 0.00 0.00 33.84 34.29 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 -0.01 5.80 0.00 7.63 0.00 0.01 -4.80 105.19 113.82 2kb3 n GLY 105 Ca 0.00 -2.71 0.07 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.22 0.00 0.20 1.61 7.64 -1.26 -1.15 113.62 120.43 2kb3 n SER 106 Ca 0.37 0.35 0.08 0.00 1.01 0.00 0.00 58.87 60.68 2kb3 n SER 106 Cb 0.37 -0.42 0.31 0.00 -1.01 0.00 0.00 64.21 63.45 2kb3 n SER 106 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2kb3 h LEU 107 N 0.00 0.00 0.00 -3.43 -0.00 -1.96 -2.18 115.31 107.74 2kb3 h LEU 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kb3 h LEU 107 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2kb3 h LEU 107 CO 0.00 0.29 -0.66 0.78 -0.00 0.00 0.00 178.44 178.85 2kb3 h ASN 108 N 0.00 0.00 -3.68 0.17 4.21 -1.45 -3.37 115.58 111.45 2kb3 h ASN 108 Ca -0.00 -0.08 -0.10 0.00 1.21 0.00 0.00 56.30 57.33 2kb3 h ASN 108 Cb 0.95 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 38.22 2kb3 h ASN 108 CO 0.04 0.04 -0.30 0.61 -1.29 0.00 0.00 177.43 176.52 2kb3 n GLY 109 N 1.23 0.15 3.71 2.83 0.00 -0.82 -1.16 105.19 111.13 2kb3 n GLY 109 Ca 0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.14 2.59 -0.02 2.61 2.01 -1.26 -4.29 115.64 114.15 2kb3 s THR 110 Ca 0.10 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.52 2kb3 s THR 110 Cb -0.01 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2kb3 s THR 110 CO 0.27 0.02 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.71 2kb3 s TYR 111 N 1.55 1.83 -0.20 4.92 2.02 0.43 -3.86 117.35 124.05 2kb3 s TYR 111 Ca 0.72 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 57.05 2kb3 s TYR 111 Cb -0.44 -1.18 -0.00 0.00 -0.40 0.00 0.00 41.96 39.93 2kb3 s TYR 111 CO 0.32 -0.03 -0.10 0.08 -1.57 0.00 0.00 175.55 174.25 2kb3 s VAL 112 N -0.47 3.00 -1.48 0.71 1.01 -0.02 -0.86 120.40 122.29 2kb3 s VAL 112 Ca 0.08 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 2kb3 s VAL 112 Cb -0.08 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 34.03 2kb3 s VAL 112 CO -0.01 0.47 0.96 -3.20 0.00 0.00 0.00 175.10 173.32 2kb3 n ASN 113 N 4.54 -5.26 -1.42 3.32 2.85 -0.20 -1.76 115.26 117.33 2kb3 n ASN 113 Ca -0.19 -0.64 -0.18 0.00 -0.11 0.00 0.00 54.58 53.46 2kb3 n ASN 113 Cb 0.51 -4.19 -0.08 0.00 1.24 0.00 0.00 39.78 37.26 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 -4.63 -1.27 -4.68 1.20 1.74 -0.83 -4.86 116.66 103.33 2kb3 n ARG 114 Ca 0.02 1.14 -0.33 0.00 -0.77 0.00 0.00 57.85 57.90 2kb3 n ARG 114 Cb 0.54 -5.42 -0.12 0.00 -1.02 0.00 0.00 32.46 26.44 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 -3.59 2.99 0.10 5.56 0.41 -0.72 -4.76 118.70 118.69 2kb3 s GLU 115 Ca 0.00 -0.61 -0.31 0.00 -0.41 0.00 0.00 54.97 53.65 2kb3 s GLU 115 Cb 0.00 -2.61 -0.10 0.00 -1.78 0.00 0.00 34.13 29.64 2kb3 s GLU 115 CO 0.00 0.49 1.88 -2.14 -0.49 0.00 0.00 175.26 175.00 2kb3 s PRO 116 N -0.34 4.13 -0.03 0.39 0.02 -1.26 -0.84 135.00 137.07 2kb3 s PRO 116 Ca 0.04 2.62 -0.04 0.00 0.02 0.00 0.00 61.00 63.64 2kb3 s PRO 116 Cb -0.12 -3.76 0.01 0.00 0.02 0.00 0.00 34.50 30.64 2kb3 s PRO 116 CO 0.02 -0.88 0.11 0.50 -0.33 0.00 0.00 177.00 176.42 2kb3 s ARG 117 N 3.25 0.21 -0.10 5.54 6.06 -1.25 -4.92 118.95 127.73 2kb3 s ARG 117 Ca 0.83 0.01 -0.05 0.00 -2.50 0.00 0.00 55.73 54.03 2kb3 s ARG 117 Cb -0.45 0.09 -0.04 0.00 0.06 0.00 0.00 34.95 34.61 2kb3 s ARG 117 CO 0.38 -0.04 0.15 -2.95 -2.50 0.00 0.00 175.30 170.35 2kb3 h ASN 118 N 5.58 -0.05 -3.65 -2.12 -1.07 -1.92 -3.42 115.58 108.93 2kb3 h ASN 118 Ca -0.26 -0.10 -0.12 0.00 0.07 0.00 0.00 56.30 55.88 2kb3 h ASN 118 Cb 1.20 0.01 -0.25 0.00 -2.07 0.00 0.00 38.32 37.21 2kb3 h ASN 118 CO 0.43 0.49 -0.26 0.00 0.07 0.00 0.00 177.43 178.16 2kb3 s ALA 119 N -2.68 -1.02 -0.15 4.14 0.00 -1.26 -0.74 121.76 120.05 2kb3 s ALA 119 Ca -0.03 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 2kb3 s ALA 119 Cb -0.00 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.40 2kb3 s ALA 119 CO 0.10 -0.22 0.47 -1.14 0.00 0.00 0.00 175.76 174.97 2kb3 s GLN 120 N 0.63 0.60 0.20 0.00 2.00 0.05 -4.97 119.66 118.16 2kb3 s GLN 120 Ca -0.03 0.54 -0.31 0.00 -2.00 0.00 0.00 55.36 53.57 2kb3 s GLN 120 Cb -0.05 0.29 -0.10 0.00 0.80 0.00 0.00 33.01 33.95 2kb3 s GLN 120 CO -0.04 -0.09 1.44 0.08 -0.50 0.00 0.00 175.29 176.18 2kb3 s VAL 121 N -0.01 2.82 0.19 1.34 1.01 -1.26 0.11 120.40 124.61 2kb3 s VAL 121 Ca -0.02 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 2kb3 s VAL 121 Cb -0.03 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 2kb3 s VAL 121 CO 0.02 0.08 0.66 0.00 0.00 0.00 0.00 175.10 175.86 2kb3 s MET 122 N 0.23 4.15 0.12 2.72 0.23 0.24 -4.88 119.30 122.11 2kb3 s MET 122 Ca 0.62 0.73 0.07 0.00 -1.03 0.00 0.00 55.69 56.08 2kb3 s MET 122 Cb -0.41 -2.90 -0.04 0.00 -1.53 0.00 0.00 34.83 29.96 2kb3 s MET 122 CO 0.38 0.43 -0.18 1.14 -2.03 0.00 0.00 175.02 174.76 2kb3 s GLN 123 N -1.96 1.10 -0.02 3.16 0.00 -1.26 -4.84 119.66 115.84 2kb3 s GLN 123 Ca 0.41 -1.22 -0.30 0.00 -0.00 0.00 0.00 55.36 54.25 2kb3 s GLN 123 Cb -0.16 -1.19 -0.09 0.00 0.00 0.00 0.00 33.01 31.57 2kb3 s GLN 123 CO 0.20 0.26 2.02 0.25 0.00 0.00 0.00 175.29 178.02 2kb3 n THR 124 N 0.77 0.68 -0.05 3.63 -2.24 -1.26 -1.58 114.28 114.24 2kb3 n THR 124 Ca -0.17 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2kb3 n THR 124 Cb 0.55 -2.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 2kb3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb3 n GLY 125 N 4.78 0.50 3.85 3.38 0.00 0.17 -3.06 105.19 114.81 2kb3 n GLY 125 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kb3 s ASP 126 N -2.52 6.66 -0.13 1.61 1.47 -0.61 -4.72 116.67 118.44 2kb3 s ASP 126 Ca 0.00 1.39 -0.01 0.00 1.18 0.00 0.00 52.55 55.11 2kb3 s ASP 126 Cb 0.00 -2.43 -0.02 0.00 -0.34 0.00 0.00 42.92 40.13 2kb3 s ASP 126 CO 0.00 -0.42 -0.08 -1.61 0.68 0.00 0.00 175.17 173.73 2kb3 s GLU 127 N -3.67 3.41 -0.30 2.11 2.02 -1.26 -1.40 118.70 119.61 2kb3 s GLU 127 Ca 0.56 -0.60 -0.08 0.00 0.02 0.00 0.00 54.97 54.87 2kb3 s GLU 127 Cb -0.10 -2.74 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 2kb3 s GLU 127 CO 0.26 0.29 0.12 0.42 0.02 0.00 0.00 175.26 176.37 2kb3 s ILE 128 N 0.18 4.37 -0.16 -1.63 1.01 0.88 -1.03 121.20 124.82 2kb3 s ILE 128 Ca -0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 2kb3 s ILE 128 Cb -0.14 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2kb3 s ILE 128 CO 0.04 0.10 0.04 -1.58 0.00 0.00 0.00 174.94 173.54 2kb3 s GLN 129 N 1.58 3.77 -0.28 2.79 -0.44 -0.04 -1.06 119.66 125.98 2kb3 s GLN 129 Ca 0.04 -0.37 -0.00 0.00 -2.50 0.00 0.00 55.36 52.53 2kb3 s GLN 129 Cb -0.17 -3.10 0.09 0.00 -1.64 0.00 0.00 33.01 28.18 2kb3 s GLN 129 CO 0.05 0.35 0.05 0.42 0.50 0.00 0.00 175.29 176.66 2kb3 s ILE 130 N 0.14 1.13 0.00 -2.34 1.09 -0.77 -0.43 121.20 120.02 2kb3 s ILE 130 Ca 0.03 -1.35 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 2kb3 s ILE 130 Cb -0.13 -1.72 0.00 0.00 -1.06 0.00 0.00 42.46 39.55 2kb3 s ILE 130 CO 0.01 -0.48 0.00 0.61 -0.10 0.00 0.00 174.94 174.98 2kb3 n GLY 131 N 4.77 0.18 0.00 6.18 0.00 -0.31 0.11 105.19 116.13 2kb3 n GLY 131 Ca -0.04 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 0.77 -4.01 1.61 2.85 -1.26 -3.23 118.16 114.89 2kb3 n LYS 132 Ca 0.00 -0.73 -0.35 0.00 -1.05 0.00 0.00 58.31 56.18 2kb3 n LYS 132 Cb 0.00 -0.65 -0.06 0.00 -0.65 0.00 0.00 35.03 33.67 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kb3 s PHE 133 N -0.27 3.44 -0.19 5.58 0.40 0.12 -4.44 117.98 122.62 2kb3 s PHE 133 Ca 0.00 0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2kb3 s PHE 133 Cb 0.00 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2kb3 s PHE 133 CO 0.00 0.63 -0.18 1.03 0.70 0.00 0.00 175.22 177.40 2kb3 s ARG 134 N -1.46 2.91 -0.06 0.44 1.81 0.47 -1.85 118.95 121.22 2kb3 s ARG 134 Ca 0.20 -0.89 0.06 0.00 -1.72 0.00 0.00 55.73 53.38 2kb3 s ARG 134 Cb -0.12 -2.64 -0.01 0.00 -0.45 0.00 0.00 34.95 31.73 2kb3 s ARG 134 CO 0.11 -0.26 -0.23 -0.51 -0.68 0.00 0.00 175.30 173.72 2kb3 s LEU 135 N 1.28 2.16 -0.12 2.53 1.02 -0.23 0.09 118.68 125.41 2kb3 s LEU 135 Ca 0.03 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.71 2kb3 s LEU 135 Cb -0.14 -1.40 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 2kb3 s LEU 135 CO -0.11 0.25 -0.13 -0.69 0.02 0.00 0.00 176.35 175.68 2kb3 s VAL 136 N -0.17 3.04 -0.21 -1.59 1.01 0.14 -0.08 120.40 122.54 2kb3 s VAL 136 Ca -0.03 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2kb3 s VAL 136 Cb -0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2kb3 s VAL 136 CO 0.04 0.53 0.34 0.12 0.00 0.00 0.00 175.10 176.13 2kb3 s PHE 137 N 0.25 3.35 -0.05 5.22 5.36 -0.49 -1.12 117.98 130.51 2kb3 s PHE 137 Ca -0.09 0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.42 2kb3 s PHE 137 Cb -0.15 -2.47 0.01 0.00 -0.34 0.00 0.00 43.02 40.06 2kb3 s PHE 137 CO 0.05 -0.01 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.18 2kb3 s LEU 138 N 1.31 1.70 -0.22 6.12 2.01 0.18 -0.66 118.68 129.11 2kb3 s LEU 138 Ca 0.16 -0.26 -0.02 0.00 0.01 0.00 0.00 54.13 54.02 2kb3 s LEU 138 Cb -0.15 -0.74 0.01 0.00 0.01 0.00 0.00 46.19 45.32 2kb3 s LEU 138 CO 0.07 0.05 -0.08 0.00 1.01 0.00 0.00 176.35 177.41 2kb3 s ALA 139 N 0.46 2.68 0.13 4.21 0.00 -1.26 -0.93 121.76 127.05 2kb3 s ALA 139 Ca -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2kb3 s ALA 139 Cb -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2kb3 s ALA 139 CO 0.02 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2kb3 n GLY 140 N 4.72 -1.00 3.77 0.00 0.00 -1.26 -4.90 105.19 106.51 2kb3 n GLY 140 Ca -0.18 0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2kb3 n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb3 n PRO 141 N -2.75 2.43 -3.33 1.61 -0.02 -1.26 -4.72 135.00 126.96 2kb3 n PRO 141 Ca 0.00 0.86 -0.25 0.00 -2.02 0.00 0.00 63.50 62.09 2kb3 n PRO 141 Cb 0.00 -2.65 -0.09 0.00 -0.02 0.00 0.00 33.50 30.74 2kb3 n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 n ALA 142 N 0.06 2.53 -0.24 3.55 0.00 -1.26 -4.76 120.51 120.39 2kb3 n ALA 142 Ca 0.03 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.48 2kb3 n ALA 142 Cb 0.40 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2kb3 n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65