#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 1.94 -0.10 7.83 0.15 -1.26 -5.11 113.70 117.15 2kb3 s SER 2 Ca 0.00 -1.76 -0.08 0.00 0.70 0.00 0.00 55.95 54.81 2kb3 s SER 2 Cb 0.00 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2kb3 s SER 2 CO 0.00 -0.29 0.26 -0.62 1.20 0.00 0.00 173.24 173.79 2kb3 s ASP 3 N 1.36 -0.27 0.64 5.45 2.15 -1.26 -5.17 116.67 119.57 2kb3 s ASP 3 Ca 0.17 0.53 -0.04 0.00 0.43 0.00 0.00 52.55 53.64 2kb3 s ASP 3 Cb -0.18 0.49 0.05 0.00 -0.30 0.00 0.00 42.92 42.97 2kb3 s ASP 3 CO -0.04 -0.12 0.92 0.54 -0.17 0.00 0.00 175.17 176.30 2kb3 s ASN 4 N 0.56 5.05 -0.36 -0.34 4.22 -1.26 -5.04 114.94 117.78 2kb3 s ASN 4 Ca -0.03 0.32 -0.21 0.00 -2.14 0.00 0.00 52.86 50.80 2kb3 s ASN 4 Cb -0.05 -1.09 0.00 0.00 1.28 0.00 0.00 41.25 41.40 2kb3 s ASN 4 CO -0.03 -1.39 0.67 0.20 -2.04 0.00 0.00 177.10 174.51 2kb3 s ASN 5 N -4.46 6.45 0.02 3.54 -0.87 -1.26 -4.92 114.94 113.44 2kb3 s ASN 5 Ca 0.58 0.18 -0.24 0.00 -1.57 0.00 0.00 52.86 51.82 2kb3 s ASN 5 Cb -0.11 -2.34 -0.17 0.00 -0.02 0.00 0.00 41.25 38.61 2kb3 s ASN 5 CO 0.43 -0.63 1.40 1.23 -2.57 0.00 0.00 177.10 176.96 2kb3 h GLY 6 N 9.47 0.11 -7.76 0.66 0.00 -2.07 -3.38 103.07 100.09 2kb3 h GLY 6 Ca -0.26 -0.09 -0.68 0.00 0.00 0.00 0.00 47.33 46.30 2kb3 h GLY 6 CO 0.85 0.08 -0.71 -1.59 0.00 0.00 0.00 176.54 175.17 2kb3 s THR 7 N -4.74 2.78 0.42 4.70 2.01 -1.26 -5.10 115.64 114.45 2kb3 s THR 7 Ca -0.15 -1.56 -0.25 0.00 0.31 0.00 0.00 61.69 60.04 2kb3 s THR 7 Cb 0.04 -2.66 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 2kb3 s THR 7 CO 0.69 -0.17 1.29 -2.16 -0.69 0.00 0.00 174.62 173.58 2kb3 s PRO 8 N 1.19 3.88 -0.11 4.92 0.04 -1.26 -4.99 135.00 138.67 2kb3 s PRO 8 Ca -0.04 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 2kb3 s PRO 8 Cb -0.20 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 2kb3 s PRO 8 CO -0.03 -0.55 0.73 -1.21 0.04 0.00 0.00 177.00 175.98 2kb3 s GLU 9 N -2.34 4.38 -0.92 4.56 2.02 -1.26 -4.98 118.70 120.16 2kb3 s GLU 9 Ca 0.59 0.89 -0.24 0.00 0.02 0.00 0.00 54.97 56.22 2kb3 s GLU 9 Cb -0.37 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.38 2kb3 s GLU 9 CO 0.47 -0.07 1.62 -1.25 0.02 0.00 0.00 175.26 176.06 2kb3 s PRO 10 N 1.25 3.14 0.10 0.39 0.04 -1.26 -4.95 135.00 133.71 2kb3 s PRO 10 Ca 0.37 -0.62 -0.14 0.00 0.04 0.00 0.00 61.00 60.65 2kb3 s PRO 10 Cb -0.17 -5.06 -0.06 0.00 0.04 0.00 0.00 34.50 29.25 2kb3 s PRO 10 CO 0.16 -2.62 0.49 -0.65 0.04 0.00 0.00 177.00 174.42 2kb3 s GLN 11 N 5.88 3.93 -0.10 4.56 -1.52 -1.26 -5.06 119.66 126.08 2kb3 s GLN 11 Ca 0.54 0.41 -0.02 0.00 -1.95 0.00 0.00 55.36 54.34 2kb3 s GLN 11 Cb -0.04 -3.02 -0.03 0.00 -0.22 0.00 0.00 33.01 29.70 2kb3 s GLN 11 CO -0.02 0.55 -0.02 0.08 -0.25 0.00 0.00 175.29 175.63 2kb3 s VAL 12 N -1.36 4.11 0.05 1.09 1.01 -1.26 -5.03 120.40 119.02 2kb3 s VAL 12 Ca 0.33 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 2kb3 s VAL 12 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2kb3 s VAL 12 CO 0.18 0.57 0.28 -0.70 0.00 0.00 0.00 175.10 175.43 2kb3 s GLU 13 N -0.56 0.81 1.16 2.72 2.56 -1.26 -5.02 118.70 119.11 2kb3 s GLU 13 Ca 0.09 -0.60 -0.18 0.00 0.00 0.00 0.00 54.97 54.28 2kb3 s GLU 13 Cb -0.12 0.35 0.27 0.00 2.00 0.00 0.00 34.13 36.63 2kb3 s GLU 13 CO 0.02 -0.26 1.12 0.99 -0.56 0.00 0.00 175.26 176.57 2kb3 s THR 14 N -2.81 1.68 0.00 -1.70 2.01 -1.26 -4.68 115.64 108.88 2kb3 s THR 14 Ca -0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2kb3 s THR 14 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2kb3 s THR 14 CO -0.05 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.68 2kb3 n SER 16 N -4.61 0.00 -4.56 3.53 7.64 -1.26 -4.12 113.62 110.23 2kb3 n SER 16 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.58 2kb3 n SER 16 Cb 0.59 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 2kb3 n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kb3 s VAL 17 N -1.79 4.80 0.00 0.44 1.01 -1.26 -4.36 120.40 119.24 2kb3 s VAL 17 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.55 2kb3 s VAL 17 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2kb3 s VAL 17 CO 0.00 -0.48 -0.19 0.72 0.00 0.00 0.00 175.10 175.15 2kb3 s PHE 18 N 2.93 1.69 -0.41 5.22 -0.71 0.30 -5.03 117.98 121.98 2kb3 s PHE 18 Ca 0.26 -0.33 -0.28 0.00 -1.04 0.00 0.00 56.93 55.54 2kb3 s PHE 18 Cb -0.14 -1.07 0.02 0.00 -1.21 0.00 0.00 43.02 40.63 2kb3 s PHE 18 CO 0.18 0.00 1.05 0.50 -1.34 0.00 0.00 175.22 175.61 2kb3 s ARG 19 N -0.64 3.83 0.00 1.99 3.52 -1.26 -2.56 118.95 123.82 2kb3 s ARG 19 Ca 0.07 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 2kb3 s ARG 19 Cb -0.08 -3.84 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2kb3 s ARG 19 CO -0.00 -1.13 0.00 0.00 -0.81 0.00 0.00 175.30 173.36 2kb3 n ALA 20 N 7.25 0.00 0.84 6.12 0.00 -1.26 -4.84 120.51 128.62 2kb3 n ALA 20 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 2kb3 n ALA 20 Cb 0.48 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.22 2kb3 n ALA 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kb3 n ASP 21 N -2.53 0.00 0.31 0.00 2.03 -1.19 -3.63 116.55 111.54 2kb3 n ASP 21 Ca 0.00 -0.54 0.19 0.00 0.52 0.00 0.00 54.79 54.96 2kb3 n ASP 21 Cb 0.00 0.00 1.02 0.00 -0.72 0.00 0.00 41.12 41.42 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kb3 h LEU 22 N 0.00 0.00 -1.23 -2.67 8.10 -1.88 -0.44 115.31 117.19 2kb3 h LEU 22 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2kb3 h LEU 22 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 2kb3 h LEU 22 CO 0.00 0.00 0.01 0.17 -4.11 0.00 0.00 178.44 174.51 2kb3 h LEU 23 N 0.00 0.50 0.02 0.17 -0.00 -1.93 -1.34 115.31 112.73 2kb3 h LEU 23 Ca 0.01 -0.09 -0.39 0.00 -0.00 0.00 0.00 57.88 57.42 2kb3 h LEU 23 Cb 0.30 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.77 2kb3 h LEU 23 CO -0.00 0.56 -2.40 0.29 -0.00 0.00 0.00 178.44 176.89 2kb3 n LYS 24 N -4.28 0.67 0.26 0.17 5.02 -0.45 -4.53 118.16 115.01 2kb3 n LYS 24 Ca 0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2kb3 n LYS 24 Cb 0.24 -1.55 0.68 0.00 -0.02 0.00 0.00 35.03 34.38 2kb3 n LYS 24 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2kb3 h GLU 25 N -0.02 0.00 -0.21 1.97 4.57 -1.09 -3.28 114.58 116.52 2kb3 h GLU 25 Ca -0.56 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.67 2kb3 h GLU 25 Cb 1.91 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.46 2kb3 h GLU 25 CO -0.07 0.14 -0.08 1.98 -1.18 0.00 0.00 179.01 179.80 2kb3 h MET 26 N 0.00 -0.04 -0.06 1.92 4.05 -1.48 0.37 114.93 119.69 2kb3 h MET 26 Ca -0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 2kb3 h MET 26 Cb 0.39 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2kb3 h MET 26 CO 0.02 -0.02 -0.52 0.93 0.23 0.00 0.00 176.91 177.54 2kb3 h GLU 27 N -0.04 0.18 0.00 0.39 3.07 -1.86 0.12 114.58 116.44 2kb3 h GLU 27 Ca 0.11 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 2kb3 h GLU 27 Cb 0.20 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2kb3 h GLU 27 CO -0.24 0.66 -0.38 0.77 -1.40 0.00 0.00 179.01 178.41 2kb3 h SER 28 N 0.14 0.00 0.13 1.42 0.02 -1.36 -3.13 113.55 110.77 2kb3 h SER 28 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.60 2kb3 h SER 28 Cb 0.97 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 2kb3 h SER 28 CO 0.08 0.38 -1.92 0.28 -1.14 0.00 0.00 176.83 174.51 2kb3 h SER 29 N 0.00 0.43 -0.81 3.07 0.02 -0.01 -3.43 113.55 112.81 2kb3 h SER 29 Ca -0.00 -0.93 -0.49 0.00 -0.84 0.00 0.00 61.79 59.52 2kb3 h SER 29 Cb 0.89 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.22 2kb3 h SER 29 CO 0.05 1.83 1.42 -0.89 -1.14 0.00 0.00 176.83 178.10 2kb3 s THR 30 N -2.55 3.78 0.00 -2.27 2.01 0.39 -3.74 115.64 113.26 2kb3 s THR 30 Ca -0.22 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.77 2kb3 s THR 30 Cb 0.06 -4.75 0.00 0.00 0.01 0.00 0.00 72.50 67.82 2kb3 s THR 30 CO 0.77 -1.53 0.00 0.61 -0.69 0.00 0.00 174.62 173.78 2kb3 n GLY 31 N 6.25 0.00 3.67 4.40 0.00 -1.26 -4.87 105.19 113.38 2kb3 n GLY 31 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 4.87 -0.14 2.61 2.01 -1.25 -5.02 115.64 118.72 2kb3 s THR 32 Ca 0.00 1.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.39 2kb3 s THR 32 Cb 0.00 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 2kb3 s THR 32 CO 0.00 0.02 0.98 0.00 -0.69 0.00 0.00 174.62 174.93 2kb3 s ALA 33 N 2.13 3.47 0.40 7.40 0.00 -1.26 -4.99 121.76 128.91 2kb3 s ALA 33 Ca 0.39 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 2kb3 s ALA 33 Cb -0.17 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 2kb3 s ALA 33 CO 0.13 -0.69 1.29 -2.30 0.00 0.00 0.00 175.76 174.20 2kb3 n PRO 34 N 5.27 2.03 -4.33 0.00 -0.02 -1.26 -5.00 135.00 131.69 2kb3 n PRO 34 Ca 0.08 0.72 -0.18 0.00 -2.02 0.00 0.00 63.50 62.10 2kb3 n PRO 34 Cb 0.48 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 s ALA 35 N -1.17 0.77 -0.15 3.55 0.00 -1.26 -5.12 121.76 118.38 2kb3 s ALA 35 Ca 0.59 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2kb3 s ALA 35 Cb -0.52 -0.17 0.06 0.00 0.00 0.00 0.00 23.12 22.49 2kb3 s ALA 35 CO 0.59 0.17 0.11 0.45 0.00 0.00 0.00 175.76 177.09 2kb3 s SER 36 N -0.42 1.89 -0.36 0.00 0.15 -1.26 -4.52 113.70 109.19 2kb3 s SER 36 Ca 0.02 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2kb3 s SER 36 Cb -0.04 -0.08 0.32 0.00 -1.71 0.00 0.00 66.02 64.50 2kb3 s SER 36 CO -0.00 -0.32 1.86 0.41 1.20 0.00 0.00 173.24 176.38 2kb3 n THR 37 N 5.29 2.76 -1.04 6.45 -1.04 -1.26 -4.50 114.28 120.94 2kb3 n THR 37 Ca -0.06 -1.68 0.00 0.00 -2.04 0.00 0.00 64.05 60.27 2kb3 n THR 37 Cb 0.49 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 38 N -0.15 0.77 0.10 3.41 0.00 -1.26 -4.12 105.19 103.94 2kb3 n GLY 38 Ca 0.37 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.09 -0.00 4.61 0.00 -1.89 -2.71 119.26 119.37 2kb3 h ALA 39 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kb3 h ALA 39 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kb3 h ALA 39 CO 0.00 0.02 -0.01 -0.85 0.00 0.00 0.00 179.25 178.41 2kb3 n GLU 40 N -4.60 0.81 0.03 0.00 0.28 -1.26 -1.95 120.64 113.96 2kb3 n GLU 40 Ca -0.08 -0.07 0.01 0.00 -0.16 0.00 0.00 57.16 56.86 2kb3 n GLU 40 Cb 0.40 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.69 2kb3 n GLU 40 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kb3 n ASN 41 N -1.03 0.83 -2.85 -1.84 5.15 -1.14 -5.04 115.26 109.33 2kb3 n ASN 41 Ca 0.20 0.36 -0.06 0.00 -0.60 0.00 0.00 54.58 54.49 2kb3 n ASN 41 Cb 0.18 0.22 0.01 0.00 -0.53 0.00 0.00 39.78 39.65 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kb3 n LEU 42 N -2.86 -7.37 0.00 1.20 7.99 -0.82 -5.04 117.00 110.09 2kb3 n LEU 42 Ca -0.09 0.92 0.00 0.00 -0.01 0.00 0.00 56.01 56.83 2kb3 n LEU 42 Cb 0.82 -3.15 0.00 0.00 -0.11 0.00 0.00 43.42 40.98 2kb3 n LEU 42 CO 0.43 -2.58 0.00 -0.81 -1.51 0.00 0.00 177.39 172.92 2kb3 n PRO 43 N 0.30 0.00 0.26 3.23 -0.04 -1.25 -4.49 135.00 133.02 2kb3 n PRO 43 Ca 0.04 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 2kb3 n PRO 43 Cb 0.26 -0.73 0.68 0.00 -0.04 0.00 0.00 33.50 33.66 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 h ALA 44 N -2.00 1.11 0.00 0.55 0.00 -1.76 -3.46 119.26 113.70 2kb3 h ALA 44 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kb3 h ALA 44 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kb3 h ALA 44 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2kb3 n GLY 45 N -0.31 1.61 3.72 0.00 0.00 -1.26 -5.00 105.19 103.95 2kb3 n GLY 45 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.48 4.35 0.07 1.61 0.01 -1.26 -4.46 113.70 111.55 2kb3 s SER 46 Ca 0.00 -1.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.02 2kb3 s SER 46 Cb 0.00 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.77 2kb3 s SER 46 CO 0.00 -0.52 0.28 0.00 0.41 0.00 0.00 173.24 173.41 2kb3 s ALA 47 N -2.61 -0.57 -0.03 1.44 0.00 -1.25 0.06 121.76 118.80 2kb3 s ALA 47 Ca 0.40 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.20 2kb3 s ALA 47 Cb 0.05 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 2kb3 s ALA 47 CO 0.22 -0.49 -0.20 -0.48 0.00 0.00 0.00 175.76 174.81 2kb3 s LEU 48 N -2.47 2.00 -0.09 0.00 -0.00 -0.04 -0.45 118.68 117.63 2kb3 s LEU 48 Ca -0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 54.13 53.74 2kb3 s LEU 48 Cb 0.02 -1.08 -0.03 0.00 -0.00 0.00 0.00 46.19 45.10 2kb3 s LEU 48 CO -0.08 0.22 -0.08 -1.48 -0.00 0.00 0.00 176.35 174.93 2kb3 s LEU 49 N -0.25 3.07 -0.10 1.48 0.05 0.44 -1.60 118.68 121.77 2kb3 s LEU 49 Ca 0.02 -0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.10 2kb3 s LEU 49 Cb -0.10 -1.68 -0.02 0.00 -2.05 0.00 0.00 46.19 42.34 2kb3 s LEU 49 CO 0.01 0.30 -0.09 0.54 -0.55 0.00 0.00 176.35 176.56 2kb3 s VAL 50 N -0.45 3.45 -0.28 1.48 0.11 0.16 -0.12 120.40 124.75 2kb3 s VAL 50 Ca 0.06 -0.55 -0.28 0.00 -2.93 0.00 0.00 61.98 58.28 2kb3 s VAL 50 Cb -0.12 -2.43 0.01 0.00 -1.53 0.00 0.00 36.38 32.31 2kb3 s VAL 50 CO 0.02 0.56 1.02 -0.69 -3.33 0.00 0.00 175.10 172.68 2kb3 s VAL 51 N -0.29 4.62 -0.07 2.04 1.01 0.11 -0.19 120.40 127.63 2kb3 s VAL 51 Ca 0.03 1.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 2kb3 s VAL 51 Cb -0.13 -4.33 -0.26 0.00 0.00 0.00 0.00 36.38 31.66 2kb3 s VAL 51 CO 0.03 -0.32 0.58 0.50 0.00 0.00 0.00 175.10 175.89 2kb3 h LYS 52 N 7.81 0.18 -3.06 2.72 1.63 -0.94 0.11 116.57 125.02 2kb3 h LYS 52 Ca -0.20 -0.31 -0.15 0.00 -0.85 0.00 0.00 60.65 59.14 2kb3 h LYS 52 Cb 1.06 0.12 -0.24 0.00 -0.60 0.00 0.00 32.23 32.57 2kb3 h LYS 52 CO 0.99 0.97 -0.37 0.50 -3.45 0.00 0.00 179.45 178.09 2kb3 s ARG 53 N -2.58 0.39 0.00 1.90 3.52 -1.18 -4.68 118.95 116.32 2kb3 s ARG 53 Ca -0.14 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 2kb3 s ARG 53 Cb 0.07 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 2kb3 s ARG 53 CO 0.81 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.64 2kb3 n GLY 54 N 2.61 2.07 0.25 8.12 0.00 -1.25 -0.45 105.19 116.54 2kb3 n GLY 54 Ca -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 0.00 0.52 -0.80 1.61 0.11 -1.84 -1.75 132.00 129.85 2kb3 h PRO 55 Ca 0.00 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2kb3 h PRO 55 Cb 0.00 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 30.95 2kb3 h PRO 55 CO 0.00 0.34 0.10 0.27 -0.21 0.00 0.00 178.00 178.50 2kb3 n ASN 56 N -4.91 3.90 -4.67 -2.05 0.23 -1.26 -4.98 115.26 101.52 2kb3 n ASN 56 Ca 0.10 -2.69 -0.43 0.00 -0.53 0.00 0.00 54.58 51.03 2kb3 n ASN 56 Cb 0.26 -0.64 -0.01 0.00 -2.08 0.00 0.00 39.78 37.31 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb3 n ALA 57 N 0.17 0.93 0.00 -2.53 0.00 -0.66 -2.44 120.51 115.99 2kb3 n ALA 57 Ca 0.23 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2kb3 n ALA 57 Cb 0.95 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.89 2.17 3.83 0.00 0.00 0.38 -4.99 105.19 107.47 2kb3 n GLY 58 Ca 0.06 0.00 -0.37 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 -2.55 3.60 -0.09 4.61 0.00 -1.02 -4.86 121.76 121.44 2kb3 s ALA 59 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2kb3 s ALA 59 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 2kb3 s ALA 59 CO 0.00 0.44 -0.11 -0.98 0.00 0.00 0.00 175.76 175.11 2kb3 s ARG 60 N -1.51 3.01 -0.08 0.00 1.70 -1.26 -0.71 118.95 120.09 2kb3 s ARG 60 Ca 0.32 -0.64 0.04 0.00 -0.47 0.00 0.00 55.73 54.98 2kb3 s ARG 60 Cb -0.17 -2.57 -0.01 0.00 -0.57 0.00 0.00 34.95 31.63 2kb3 s ARG 60 CO 0.18 0.44 -0.22 -0.06 -1.08 0.00 0.00 175.30 174.56 2kb3 s PHE 61 N -0.22 2.57 -0.24 5.89 0.08 0.82 -4.95 117.98 121.93 2kb3 s PHE 61 Ca 0.02 -0.76 -0.10 0.00 0.12 0.00 0.00 56.93 56.21 2kb3 s PHE 61 Cb -0.13 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 2kb3 s PHE 61 CO 0.03 -0.24 0.14 -1.17 -0.10 0.00 0.00 175.22 173.88 2kb3 s LEU 62 N 0.04 4.01 -0.58 -0.37 2.96 -1.26 -0.42 118.68 123.06 2kb3 s LEU 62 Ca -0.08 0.07 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 2kb3 s LEU 62 Cb -0.15 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.50 2kb3 s LEU 62 CO 0.05 0.06 1.05 -0.76 -1.32 0.00 0.00 176.35 175.43 2kb3 s LEU 63 N 1.09 3.84 -0.09 -0.68 2.01 0.41 -4.82 118.68 120.43 2kb3 s LEU 63 Ca 0.07 -0.24 0.14 0.00 0.01 0.00 0.00 54.13 54.11 2kb3 s LEU 63 Cb -0.14 -2.90 0.21 0.00 0.01 0.00 0.00 46.19 43.37 2kb3 s LEU 63 CO 0.05 -1.36 1.10 -0.67 1.01 0.00 0.00 176.35 176.47 2kb3 n ASP 64 N 7.92 2.02 -4.20 2.29 2.03 -1.26 -3.74 116.55 121.62 2kb3 n ASP 64 Ca 0.04 -2.77 -0.14 0.00 0.52 0.00 0.00 54.79 52.44 2kb3 n ASP 64 Cb 0.48 -0.33 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 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 -2.25 0.91 0.53 -0.67 -2.07 -1.26 -5.05 119.66 109.80 2kb3 s GLN 65 Ca 0.23 -1.28 0.24 0.00 -1.82 0.00 0.00 55.36 52.74 2kb3 s GLN 65 Cb 0.20 -0.49 1.46 0.00 -1.09 0.00 0.00 33.01 33.09 2kb3 s GLN 65 CO 0.02 0.06 2.12 -1.35 -1.32 0.00 0.00 175.29 174.82 2kb3 h PRO 66 N 3.21 0.00 -2.84 9.60 0.11 -1.95 -3.43 132.00 136.70 2kb3 h PRO 66 Ca -0.37 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.55 2kb3 h PRO 66 Cb 1.18 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.98 2kb3 h PRO 66 CO 0.58 0.08 -0.50 0.99 -0.21 0.00 0.00 178.00 178.95 2kb3 s THR 67 N -4.51 -0.37 -0.11 -1.15 2.01 -1.26 -0.34 115.64 109.91 2kb3 s THR 67 Ca -0.04 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 2kb3 s THR 67 Cb 0.15 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2kb3 s THR 67 CO 0.60 0.10 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.69 2kb3 s THR 68 N 2.24 3.78 -0.06 -0.82 2.01 0.72 -4.97 115.64 118.53 2kb3 s THR 68 Ca -0.01 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2kb3 s THR 68 Cb -0.12 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2kb3 s THR 68 CO -0.09 0.55 0.02 -0.89 -0.69 0.00 0.00 174.62 173.52 2kb3 s THR 69 N -0.27 4.40 -0.06 -0.82 2.01 -1.26 -0.03 115.64 119.61 2kb3 s THR 69 Ca 0.04 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2kb3 s THR 69 Cb -0.13 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2kb3 s THR 69 CO 0.02 0.53 -0.23 0.00 -0.69 0.00 0.00 174.62 174.26 2kb3 s ALA 70 N -0.97 2.27 0.00 7.40 0.00 0.82 -3.22 121.76 128.06 2kb3 s ALA 70 Ca 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2kb3 s ALA 70 Cb -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2kb3 s ALA 70 CO 0.05 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2kb3 n GLY 71 N 2.93 0.93 3.53 0.00 0.00 -1.25 -0.77 105.19 110.55 2kb3 n GLY 71 Ca -0.17 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 2kb3 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kb3 s ARG 72 N -1.79 3.67 0.00 1.61 0.52 0.67 -4.09 118.95 119.55 2kb3 s ARG 72 Ca 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 2kb3 s ARG 72 Cb 0.00 -3.65 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2kb3 s ARG 72 CO 0.00 -0.30 0.00 1.58 0.02 0.00 0.00 175.30 176.60 2kb3 n HIS 73 N 5.05 0.00 0.27 -0.53 -0.00 -1.26 -3.99 115.22 114.76 2kb3 n HIS 73 Ca -0.14 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.17 2kb3 n HIS 73 Cb 0.51 0.00 0.64 0.00 -0.12 0.00 0.00 29.99 31.01 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2kb3 h PRO 74 N 0.00 0.00 -0.02 1.57 0.11 -1.95 -2.57 132.00 129.15 2kb3 h PRO 74 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 74 CO 0.00 0.00 -0.10 -0.85 -0.21 0.00 0.00 178.00 176.84 2kb3 n GLU 75 N -2.41 1.77 -2.84 1.05 0.28 -1.26 -4.85 120.64 112.37 2kb3 n GLU 75 Ca -0.00 -1.30 -0.43 0.00 -0.16 0.00 0.00 57.16 55.27 2kb3 n GLU 75 Cb 0.12 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.48 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2kb3 s SER 76 N -2.13 6.58 0.19 -1.84 1.04 -0.97 -4.31 113.70 112.27 2kb3 s SER 76 Ca 0.30 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 2kb3 s SER 76 Cb 0.20 -2.45 0.12 0.00 0.10 0.00 0.00 66.02 63.99 2kb3 s SER 76 CO 0.38 -0.92 1.53 -0.78 0.98 0.00 0.00 173.24 174.43 2kb3 h ASP 77 N 8.73 0.70 -3.20 7.02 3.58 -1.88 -3.36 116.42 128.02 2kb3 h ASP 77 Ca -0.24 -0.34 -0.76 0.00 0.42 0.00 0.00 57.03 56.12 2kb3 h ASP 77 Cb 1.08 -0.20 -0.25 0.00 1.72 0.00 0.00 39.33 41.68 2kb3 h ASP 77 CO 0.99 1.05 -0.20 0.27 -2.88 0.00 0.00 179.24 178.47 2kb3 s ILE 78 N -4.19 5.17 -0.22 2.25 -4.36 -1.24 -5.02 121.20 113.58 2kb3 s ILE 78 Ca -0.08 -1.65 -0.20 0.00 -0.26 0.00 0.00 60.65 58.46 2kb3 s ILE 78 Cb 0.12 -4.30 -0.02 0.00 1.25 0.00 0.00 42.46 39.50 2kb3 s ILE 78 CO 0.84 -0.88 0.60 0.12 0.24 0.00 0.00 174.94 175.86 2kb3 s PHE 79 N 1.39 3.33 -0.14 1.37 5.36 -1.26 -3.89 117.98 124.15 2kb3 s PHE 79 Ca 0.05 0.84 0.01 0.00 -0.96 0.00 0.00 56.93 56.87 2kb3 s PHE 79 Cb -0.27 -2.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 2kb3 s PHE 79 CO 0.01 -0.22 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.88 2kb3 s LEU 80 N 2.11 1.78 -0.13 6.12 1.43 -1.26 -5.01 118.68 123.72 2kb3 s LEU 80 Ca 0.26 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2kb3 s LEU 80 Cb -0.16 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 44.89 2kb3 s LEU 80 CO 0.09 -0.02 -0.05 -0.62 0.23 0.00 0.00 176.35 175.99 2kb3 s ASP 81 N 1.25 2.38 0.00 2.29 -1.08 -1.26 -4.52 116.67 115.72 2kb3 s ASP 81 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 2kb3 s ASP 81 Cb -0.14 -0.79 0.00 0.00 -1.46 0.00 0.00 42.92 40.54 2kb3 s ASP 81 CO -0.07 -0.17 0.00 -0.90 0.52 0.00 0.00 175.17 174.55 2kb3 n ASP 82 N 4.96 0.66 -0.31 -0.34 5.68 -1.26 -4.72 116.55 121.22 2kb3 n ASP 82 Ca -0.11 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.22 2kb3 n ASP 82 Cb 0.49 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.66 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2kb3 h VAL 83 N 0.00 0.90 -1.47 2.12 2.07 -2.01 -3.38 116.25 114.49 2kb3 h VAL 83 Ca 0.00 -0.29 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 2kb3 h VAL 83 Cb 0.00 -0.01 -0.25 0.00 -1.52 0.00 0.00 31.29 29.51 2kb3 h VAL 83 CO 0.00 0.15 -0.57 -0.89 0.02 0.00 0.00 177.57 176.28 2kb3 s THR 84 N -6.01 -0.66 -0.13 2.57 2.01 -1.26 -5.12 115.64 107.04 2kb3 s THR 84 Ca -0.12 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2kb3 s THR 84 Cb 0.20 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2kb3 s THR 84 CO 0.79 -0.30 0.07 -0.69 -0.69 0.00 0.00 174.62 173.80 2kb3 s VAL 85 N 1.56 4.87 0.80 3.82 1.01 -1.26 -4.99 120.40 126.21 2kb3 s VAL 85 Ca 0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2kb3 s VAL 85 Cb -0.09 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.23 2kb3 s VAL 85 CO -0.05 0.56 1.09 -0.55 0.00 0.00 0.00 175.10 176.14 2kb3 s SER 86 N -0.47 4.37 0.23 3.32 0.15 -1.26 -4.65 113.70 115.39 2kb3 s SER 86 Ca 0.10 1.63 -0.05 0.00 0.70 0.00 0.00 55.95 58.33 2kb3 s SER 86 Cb -0.12 -2.36 0.24 0.00 -1.71 0.00 0.00 66.02 62.07 2kb3 s SER 86 CO 0.02 -2.09 1.72 0.08 1.20 0.00 0.00 173.24 174.17 2kb3 h ARG 87 N -1.17 0.91 -3.47 5.44 0.11 -1.83 0.19 114.38 114.56 2kb3 h ARG 87 Ca -0.46 -0.26 -0.48 0.00 0.10 0.00 0.00 59.98 58.89 2kb3 h ARG 87 Cb 1.25 -0.10 -0.40 0.00 1.11 0.00 0.00 29.97 31.83 2kb3 h ARG 87 CO 0.54 0.89 -0.76 1.03 0.10 0.00 0.00 179.97 181.77 2kb3 s ARG 88 N -5.03 0.49 -0.25 0.08 0.52 -1.26 -3.15 118.95 110.35 2kb3 s ARG 88 Ca -0.10 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 54.77 2kb3 s ARG 88 Cb 0.14 -1.70 -0.10 0.00 0.52 0.00 0.00 34.95 33.81 2kb3 s ARG 88 CO 0.83 -0.55 -0.34 1.58 0.02 0.00 0.00 175.30 176.84 2kb3 n HIS 89 N 5.13 0.04 -3.52 -0.53 -0.00 0.05 -4.84 115.22 111.55 2kb3 n HIS 89 Ca -0.08 0.02 -0.11 0.00 -0.00 0.00 0.00 57.72 57.55 2kb3 n HIS 89 Cb 0.48 -0.86 -0.03 0.00 -0.00 0.00 0.00 29.99 29.58 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 -2.62 -1.34 -0.06 1.57 0.00 -1.06 -1.25 121.76 117.00 2kb3 s ALA 90 Ca -0.36 0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2kb3 s ALA 90 Cb 0.12 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 2kb3 s ALA 90 CO 0.47 -0.74 -0.19 -1.83 0.00 0.00 0.00 175.76 173.47 2kb3 s GLU 91 N -3.78 2.14 -0.30 0.00 -1.05 0.64 -0.13 118.70 116.22 2kb3 s GLU 91 Ca 0.02 -0.70 -0.09 0.00 -0.15 0.00 0.00 54.97 54.06 2kb3 s GLU 91 Cb -0.00 -1.79 -0.00 0.00 -0.44 0.00 0.00 34.13 31.90 2kb3 s GLU 91 CO -0.12 0.24 0.13 -0.06 0.95 0.00 0.00 175.26 176.40 2kb3 s PHE 92 N 0.10 3.16 -0.11 4.83 0.40 0.96 -0.69 117.98 126.64 2kb3 s PHE 92 Ca -0.07 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2kb3 s PHE 92 Cb -0.13 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 2kb3 s PHE 92 CO 0.04 -0.49 -0.11 0.50 0.70 0.00 0.00 175.22 175.86 2kb3 s ARG 93 N 1.58 3.13 -0.25 0.44 3.52 0.65 -0.20 118.95 127.81 2kb3 s ARG 93 Ca 0.04 -0.64 -0.08 0.00 -0.13 0.00 0.00 55.73 54.92 2kb3 s ARG 93 Cb -0.17 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 2kb3 s ARG 93 CO 0.05 0.39 0.10 0.42 -0.81 0.00 0.00 175.30 175.44 2kb3 s ILE 94 N -0.09 4.59 -0.18 4.11 1.09 0.54 -0.32 121.20 130.94 2kb3 s ILE 94 Ca -0.01 -0.08 0.01 0.00 -1.10 0.00 0.00 60.65 59.47 2kb3 s ILE 94 Cb -0.14 -3.15 0.03 0.00 -1.06 0.00 0.00 42.46 38.15 2kb3 s ILE 94 CO 0.03 0.33 -0.12 0.20 -0.10 0.00 0.00 174.94 175.28 2kb3 s ASN 95 N 1.51 3.18 -1.47 3.58 0.01 0.97 -4.76 114.94 117.95 2kb3 s ASN 95 Ca 0.06 -0.76 -0.13 0.00 -0.71 0.00 0.00 52.86 51.32 2kb3 s ASN 95 Cb -0.15 -1.25 0.10 0.00 0.41 0.00 0.00 41.25 40.36 2kb3 s ASN 95 CO 0.05 -0.11 0.70 -0.62 -1.51 0.00 0.00 177.10 175.62 2kb3 n GLU 96 N 4.70 -3.92 -0.51 -0.60 4.71 -1.26 -0.06 120.64 123.70 2kb3 n GLU 96 Ca -0.16 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 2kb3 n GLU 96 Cb 0.48 -5.26 0.00 0.00 -1.01 0.00 0.00 31.44 25.65 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kb3 n GLY 97 N -1.37 1.13 3.78 0.62 0.00 -1.26 -5.04 105.19 103.05 2kb3 n GLY 97 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.33 3.34 -0.22 1.61 2.02 0.91 -4.88 118.70 121.16 2kb3 s GLU 98 Ca 0.00 -0.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 2kb3 s GLU 98 Cb 0.00 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 2kb3 s GLU 98 CO 0.00 0.70 0.01 -0.06 0.02 0.00 0.00 175.26 175.93 2kb3 s PHE 99 N -0.82 3.04 -0.05 1.61 0.40 -1.26 -0.02 117.98 120.86 2kb3 s PHE 99 Ca 0.13 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2kb3 s PHE 99 Cb -0.12 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 2kb3 s PHE 99 CO 0.03 -0.32 -0.15 -1.83 0.70 0.00 0.00 175.22 173.65 2kb3 s GLU 100 N 1.22 2.55 -0.21 0.44 -1.05 0.57 -0.60 118.70 121.62 2kb3 s GLU 100 Ca 0.03 -0.72 -0.05 0.00 -0.15 0.00 0.00 54.97 54.09 2kb3 s GLU 100 Cb -0.15 -2.37 -0.02 0.00 -0.44 0.00 0.00 34.13 31.16 2kb3 s GLU 100 CO 0.01 0.58 -0.01 0.08 0.95 0.00 0.00 175.26 176.87 2kb3 s VAL 101 N -0.61 3.81 -0.17 1.83 1.01 0.73 -0.25 120.40 126.74 2kb3 s VAL 101 Ca 0.09 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kb3 s VAL 101 Cb -0.11 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2kb3 s VAL 101 CO 0.01 0.42 -0.20 -0.69 0.00 0.00 0.00 175.10 174.64 2kb3 s VAL 102 N 1.17 2.11 0.16 2.92 1.01 0.14 -0.72 120.40 127.18 2kb3 s VAL 102 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2kb3 s VAL 102 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2kb3 s VAL 102 CO 0.01 0.54 0.32 -0.62 0.00 0.00 0.00 175.10 175.35 2kb3 s ASP 103 N 1.12 6.37 0.10 3.32 -1.08 0.90 -0.26 116.67 127.14 2kb3 s ASP 103 Ca 0.01 0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.60 2kb3 s ASP 103 Cb -0.14 -1.96 1.00 0.00 -1.46 0.00 0.00 42.92 40.36 2kb3 s ASP 103 CO -0.09 0.03 1.82 1.33 0.52 0.00 0.00 175.17 178.78 2kb3 n VAL 104 N -0.46 0.36 0.00 1.11 0.24 -0.38 -4.75 118.33 114.45 2kb3 n VAL 104 Ca -0.06 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2kb3 n VAL 104 Cb 0.53 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N 1.24 0.00 2.42 7.63 0.00 -1.26 -4.94 105.19 110.27 2kb3 n GLY 105 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -5.31 -0.03 1.61 3.41 -1.26 -4.88 113.62 107.16 2kb3 n SER 106 Ca 0.00 0.17 -0.02 0.00 -0.26 0.00 0.00 58.87 58.75 2kb3 n SER 106 Cb 0.00 -4.52 0.23 0.00 -0.26 0.00 0.00 64.21 59.66 2kb3 n SER 106 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2kb3 h LEU 107 N 0.00 0.57 -0.76 1.04 -0.00 -1.88 -0.38 115.31 113.91 2kb3 h LEU 107 Ca -0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 2kb3 h LEU 107 Cb 1.30 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2kb3 h LEU 107 CO 0.54 0.69 0.00 0.59 -0.00 0.00 0.00 178.44 180.26 2kb3 n ASN 108 N -4.22 1.14 -1.00 0.17 4.13 -1.26 -0.54 115.26 113.69 2kb3 n ASN 108 Ca 0.01 -1.59 -0.00 0.00 1.68 0.00 0.00 54.58 54.68 2kb3 n ASN 108 Cb 0.31 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb3 n GLY 109 N 1.04 0.47 3.72 7.41 0.00 -0.15 -2.96 105.19 114.71 2kb3 n GLY 109 Ca 0.16 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.01 2.23 -0.11 2.61 2.01 -1.24 -4.42 115.64 113.72 2kb3 s THR 110 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2kb3 s THR 110 Cb -0.00 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.42 2kb3 s THR 110 CO 0.01 0.01 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.33 2kb3 s TYR 111 N 1.21 1.98 -0.09 4.92 5.04 -0.45 -3.61 117.35 126.35 2kb3 s TYR 111 Ca 0.73 -0.92 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 2kb3 s TYR 111 Cb -0.48 -1.42 0.02 0.00 0.35 0.00 0.00 41.96 40.43 2kb3 s TYR 111 CO 0.32 -0.47 -0.10 0.08 -1.34 0.00 0.00 175.55 174.04 2kb3 s VAL 112 N 0.96 1.08 -1.46 3.14 1.01 0.90 0.06 120.40 126.09 2kb3 s VAL 112 Ca -0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 2kb3 s VAL 112 Cb -0.15 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.21 2kb3 s VAL 112 CO -0.01 0.36 0.86 -3.20 0.00 0.00 0.00 175.10 173.11 2kb3 n ASN 113 N 4.40 -5.79 -1.36 3.32 4.05 -1.00 -1.00 115.26 117.87 2kb3 n ASN 113 Ca -0.18 -0.46 -0.17 0.00 0.45 0.00 0.00 54.58 54.22 2kb3 n ASN 113 Cb 0.51 -4.63 -0.07 0.00 1.23 0.00 0.00 39.78 36.81 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2kb3 n ARG 114 N -4.45 -1.52 -4.45 1.20 3.00 -1.25 -4.99 116.66 104.19 2kb3 n ARG 114 Ca -0.04 1.09 -0.25 0.00 -0.01 0.00 0.00 57.85 58.65 2kb3 n ARG 114 Cb 0.58 -5.47 -0.13 0.00 0.00 0.00 0.00 32.46 27.44 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kb3 s GLU 115 N -3.46 1.24 0.10 5.56 0.41 -0.17 -5.04 118.70 117.34 2kb3 s GLU 115 Ca 0.00 -1.05 -0.31 0.00 -0.41 0.00 0.00 54.97 53.21 2kb3 s GLU 115 Cb 0.00 -1.43 -0.07 0.00 -1.78 0.00 0.00 34.13 30.85 2kb3 s GLU 115 CO 0.00 0.35 1.38 -1.25 -0.49 0.00 0.00 175.26 175.25 2kb3 s PRO 116 N -1.54 4.32 -0.01 0.39 0.04 -1.26 -0.07 135.00 136.88 2kb3 s PRO 116 Ca 0.07 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 2kb3 s PRO 116 Cb -0.09 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.17 2kb3 s PRO 116 CO 0.03 -0.44 0.27 0.50 0.04 0.00 0.00 177.00 177.39 2kb3 s ARG 117 N 1.26 0.63 -0.19 4.56 6.06 -1.24 -4.91 118.95 125.12 2kb3 s ARG 117 Ca 0.64 -0.26 -0.15 0.00 -2.50 0.00 0.00 55.73 53.46 2kb3 s ARG 117 Cb -0.36 0.28 -0.10 0.00 0.06 0.00 0.00 34.95 34.83 2kb3 s ARG 117 CO 0.30 -0.17 -0.14 -1.71 -2.50 0.00 0.00 175.30 171.08 2kb3 n ASN 118 N 1.28 1.88 -3.85 -2.12 4.05 -1.26 -4.68 115.26 110.56 2kb3 n ASN 118 Ca -0.22 0.46 -0.14 0.00 0.45 0.00 0.00 54.58 55.13 2kb3 n ASN 118 Cb 0.56 -0.86 -0.15 0.00 1.23 0.00 0.00 39.78 40.56 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb3 s ALA 119 N -2.63 0.15 -0.14 5.20 0.00 -1.26 -0.07 121.76 123.02 2kb3 s ALA 119 Ca -0.26 0.07 -0.19 0.00 0.00 0.00 0.00 51.96 51.58 2kb3 s ALA 119 Cb 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.09 2kb3 s ALA 119 CO 0.41 -0.02 0.49 -1.14 0.00 0.00 0.00 175.76 175.50 2kb3 s GLN 120 N 0.43 0.66 0.00 0.00 2.00 0.10 -5.00 119.66 117.85 2kb3 s GLN 120 Ca -0.04 0.47 -0.30 0.00 -2.00 0.00 0.00 55.36 53.49 2kb3 s GLN 120 Cb -0.06 0.31 -0.04 0.00 0.80 0.00 0.00 33.01 34.02 2kb3 s GLN 120 CO -0.01 -0.13 1.15 0.08 -0.50 0.00 0.00 175.29 175.89 2kb3 s VAL 121 N -0.23 4.30 -0.03 1.34 1.01 -1.26 -0.20 120.40 125.34 2kb3 s VAL 121 Ca -0.04 1.64 -0.19 0.00 0.00 0.00 0.00 61.98 63.39 2kb3 s VAL 121 Cb -0.03 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2kb3 s VAL 121 CO 0.03 0.08 0.54 -0.32 0.00 0.00 0.00 175.10 175.42 2kb3 s MET 122 N 1.50 4.25 0.11 2.72 1.75 0.23 -4.92 119.30 124.95 2kb3 s MET 122 Ca 0.56 0.62 0.03 0.00 -1.25 0.00 0.00 55.69 55.65 2kb3 s MET 122 Cb -0.26 -3.34 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 2kb3 s MET 122 CO 0.26 0.39 0.14 1.14 -0.65 0.00 0.00 175.02 176.30 2kb3 s GLN 123 N -0.19 3.04 0.10 4.11 -2.07 -1.26 -4.57 119.66 118.81 2kb3 s GLN 123 Ca 0.29 -0.70 -0.31 0.00 -1.82 0.00 0.00 55.36 52.82 2kb3 s GLN 123 Cb -0.17 -2.78 -0.07 0.00 -1.09 0.00 0.00 33.01 28.90 2kb3 s GLN 123 CO 0.15 0.54 1.26 0.95 -1.32 0.00 0.00 175.29 176.87 2kb3 s THR 124 N -1.57 3.72 0.00 3.63 -4.23 -1.26 -2.67 115.64 113.26 2kb3 s THR 124 Ca 0.31 1.26 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 2kb3 s THR 124 Cb -0.11 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2kb3 s THR 124 CO 0.24 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2kb3 n GLY 125 N 3.16 0.61 3.89 3.99 0.00 0.13 -4.86 105.19 112.10 2kb3 n GLY 125 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.97 6.52 -0.11 1.61 2.15 -1.09 -4.82 116.67 117.96 2kb3 s ASP 126 Ca 0.00 0.93 0.02 0.00 0.43 0.00 0.00 52.55 53.93 2kb3 s ASP 126 Cb 0.00 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.37 2kb3 s ASP 126 CO 0.00 -0.25 -0.17 -1.61 -0.17 0.00 0.00 175.17 172.97 2kb3 s GLU 127 N -3.50 3.18 -0.13 4.34 2.02 -1.26 -1.07 118.70 122.27 2kb3 s GLU 127 Ca 0.48 -0.75 -0.02 0.00 0.02 0.00 0.00 54.97 54.70 2kb3 s GLU 127 Cb -0.11 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 2kb3 s GLU 127 CO 0.28 0.25 -0.08 0.42 0.02 0.00 0.00 175.26 176.16 2kb3 s ILE 128 N 0.22 3.56 -0.14 -1.63 -1.09 0.11 -2.39 121.20 119.84 2kb3 s ILE 128 Ca -0.11 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 2kb3 s ILE 128 Cb -0.16 -2.52 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 2kb3 s ILE 128 CO 0.06 0.52 -0.05 -1.58 -1.23 0.00 0.00 174.94 172.66 2kb3 s GLN 129 N 0.15 3.56 -0.27 2.79 -0.44 0.11 0.08 119.66 125.63 2kb3 s GLN 129 Ca -0.04 -0.55 -0.00 0.00 -2.50 0.00 0.00 55.36 52.27 2kb3 s GLN 129 Cb -0.14 -2.84 0.08 0.00 -1.64 0.00 0.00 33.01 28.47 2kb3 s GLN 129 CO 0.04 0.27 0.05 0.42 0.50 0.00 0.00 175.29 176.57 2kb3 s ILE 130 N 0.26 1.07 0.00 -2.34 1.09 0.68 -1.34 121.20 120.62 2kb3 s ILE 130 Ca -0.04 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.22 2kb3 s ILE 130 Cb -0.14 -1.66 0.00 0.00 -1.06 0.00 0.00 42.46 39.60 2kb3 s ILE 130 CO 0.03 -0.46 0.00 0.61 -0.10 0.00 0.00 174.94 175.02 2kb3 n GLY 131 N 4.80 0.59 0.30 6.18 0.00 -1.16 0.04 105.19 115.93 2kb3 n GLY 131 Ca -0.05 0.54 0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 0.35 -3.94 1.61 4.76 -1.26 -3.18 118.16 116.49 2kb3 n LYS 132 Ca 0.00 -0.92 -0.28 0.00 -2.87 0.00 0.00 58.31 54.24 2kb3 n LYS 132 Cb 0.00 -1.13 -0.04 0.00 -1.84 0.00 0.00 35.03 32.02 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2kb3 s PHE 133 N -0.71 3.49 -0.06 2.13 0.40 0.11 -3.80 117.98 119.53 2kb3 s PHE 133 Ca 0.09 0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 2kb3 s PHE 133 Cb 0.06 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.92 2kb3 s PHE 133 CO 0.11 0.55 0.02 0.50 0.70 0.00 0.00 175.22 177.10 2kb3 s ARG 134 N -2.92 0.37 -0.09 0.44 3.52 0.40 -0.23 118.95 120.44 2kb3 s ARG 134 Ca 0.35 0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 56.12 2kb3 s ARG 134 Cb -0.12 -0.80 -0.03 0.00 -1.56 0.00 0.00 34.95 32.43 2kb3 s ARG 134 CO 0.28 -0.31 0.04 -0.51 -0.81 0.00 0.00 175.30 173.99 2kb3 s LEU 135 N 2.02 3.78 -0.22 -0.88 1.43 0.11 -0.24 118.68 124.68 2kb3 s LEU 135 Ca 0.05 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2kb3 s LEU 135 Cb -0.12 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2kb3 s LEU 135 CO -0.04 0.38 -0.03 -0.69 0.23 0.00 0.00 176.35 176.19 2kb3 s VAL 136 N -0.94 3.47 -0.28 -1.59 1.01 0.73 -0.71 120.40 122.09 2kb3 s VAL 136 Ca 0.14 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 2kb3 s VAL 136 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2kb3 s VAL 136 CO 0.03 0.41 0.29 0.12 0.00 0.00 0.00 175.10 175.96 2kb3 s PHE 137 N 1.49 3.23 0.12 5.22 5.36 -0.23 -0.66 117.98 132.50 2kb3 s PHE 137 Ca 0.06 0.25 0.06 0.00 -0.96 0.00 0.00 56.93 56.33 2kb3 s PHE 137 Cb -0.14 -2.49 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 2kb3 s PHE 137 CO -0.03 -0.21 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.87 2kb3 s LEU 138 N 1.93 2.38 0.72 6.12 1.43 -0.63 0.20 118.68 130.84 2kb3 s LEU 138 Ca 0.11 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 2kb3 s LEU 138 Cb -0.16 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.52 2kb3 s LEU 138 CO 0.11 -0.13 1.07 0.00 0.23 0.00 0.00 176.35 177.63 2kb3 s ALA 139 N -2.00 2.60 1.00 4.21 0.00 -1.26 -0.86 121.76 125.45 2kb3 s ALA 139 Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 2kb3 s ALA 139 Cb -0.06 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 20.12 2kb3 s ALA 139 CO 0.03 -1.33 1.08 0.20 0.00 0.00 0.00 175.76 175.74 2kb3 s GLY 140 N -3.92 1.58 0.48 0.00 0.00 0.11 -4.42 107.32 101.15 2kb3 s GLY 140 Ca 0.59 -0.23 -0.23 0.00 0.00 0.00 0.00 44.72 44.84 2kb3 s GLY 140 CO 0.54 0.36 1.07 -1.55 0.00 0.00 0.00 173.10 173.53 2kb3 n PRO 141 N -4.24 1.38 -1.40 2.90 -0.04 -1.26 -4.40 135.00 127.93 2kb3 n PRO 141 Ca 0.05 0.50 -0.32 0.00 -0.04 0.00 0.00 63.50 63.69 2kb3 n PRO 141 Cb 0.56 -2.19 0.05 0.00 -0.04 0.00 0.00 33.50 31.88 2kb3 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 142 N -0.81 6.18 0.05 0.55 0.00 -1.26 -3.55 120.51 121.67 2kb3 n ALA 142 Ca 0.10 -3.25 0.01 0.00 0.00 0.00 0.00 53.44 50.30 2kb3 n ALA 142 Cb 0.42 -1.80 0.01 0.00 0.00 0.00 0.00 19.45 18.08 2kb3 n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65