#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 4.48 0.04 6.12 0.15 -1.26 -5.08 113.70 118.15 2kb3 s SER 2 Ca 0.00 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.04 2kb3 s SER 2 Cb 0.00 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2kb3 s SER 2 CO 0.00 -0.10 -0.15 1.51 1.20 0.00 0.00 173.24 175.69 2kb3 s ASP 3 N 1.42 1.80 0.04 5.45 1.47 -1.26 -5.15 116.67 120.44 2kb3 s ASP 3 Ca 0.03 -0.47 0.01 0.00 1.18 0.00 0.00 52.55 53.30 2kb3 s ASP 3 Cb -0.16 -0.12 -0.03 0.00 -0.34 0.00 0.00 42.92 42.27 2kb3 s ASP 3 CO -0.03 0.06 -0.05 0.20 0.68 0.00 0.00 175.17 176.03 2kb3 s ASN 4 N -1.14 0.56 -0.26 2.11 -0.87 -1.26 -5.02 114.94 109.06 2kb3 s ASN 4 Ca 0.03 -0.62 0.11 0.00 -1.57 0.00 0.00 52.86 50.81 2kb3 s ASN 4 Cb -0.08 0.09 0.74 0.00 -0.02 0.00 0.00 41.25 41.98 2kb3 s ASN 4 CO 0.01 -0.32 1.71 0.59 -2.57 0.00 0.00 177.10 176.53 2kb3 n ASN 5 N 1.23 5.11 0.21 -1.22 5.03 -1.26 -4.26 115.26 120.11 2kb3 n ASN 5 Ca -0.21 -3.00 0.13 0.00 0.87 0.00 0.00 54.58 52.37 2kb3 n ASN 5 Cb 0.56 -0.70 0.34 0.00 -1.02 0.00 0.00 39.78 38.96 2kb3 n ASN 5 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2kb3 h GLY 6 N 3.52 0.00 -5.19 7.41 0.00 -2.06 -3.43 103.07 103.31 2kb3 h GLY 6 Ca 0.12 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 2kb3 h GLY 6 CO 0.58 0.00 0.83 -0.51 0.00 0.00 0.00 176.54 177.44 2kb3 s THR 7 N -3.31 4.56 0.15 4.70 -4.23 -1.26 -4.99 115.64 111.25 2kb3 s THR 7 Ca 0.06 1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 62.14 2kb3 s THR 7 Cb 0.07 -4.25 -0.08 0.00 1.34 0.00 0.00 72.50 69.58 2kb3 s THR 7 CO 0.62 -0.22 1.28 -2.16 -0.54 0.00 0.00 174.62 173.60 2kb3 s PRO 8 N 3.35 4.41 0.28 3.99 0.04 -1.26 -5.01 135.00 140.80 2kb3 s PRO 8 Ca 0.47 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 2kb3 s PRO 8 Cb -0.16 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 2kb3 s PRO 8 CO 0.09 -0.26 0.84 -1.21 0.04 0.00 0.00 177.00 176.50 2kb3 s GLU 9 N 0.41 4.40 1.33 4.56 2.02 -1.26 -5.05 118.70 125.10 2kb3 s GLU 9 Ca 0.58 1.09 -0.22 0.00 0.02 0.00 0.00 54.97 56.44 2kb3 s GLU 9 Cb -0.34 -2.80 0.34 0.00 0.10 0.00 0.00 34.13 31.43 2kb3 s GLU 9 CO 0.34 0.31 0.77 -2.30 0.02 0.00 0.00 175.26 174.40 2kb3 n PRO 10 N 0.55 -4.41 -3.32 0.39 -0.02 -1.26 -4.98 135.00 121.95 2kb3 n PRO 10 Ca 0.00 -1.29 -0.38 0.00 -2.02 0.00 0.00 63.50 59.81 2kb3 n PRO 10 Cb 0.51 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 2kb3 n PRO 10 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kb3 s GLN 11 N -4.79 4.17 -0.21 -0.52 -0.21 -1.26 -5.04 119.66 111.80 2kb3 s GLN 11 Ca 0.59 0.64 -0.04 0.00 0.02 0.00 0.00 55.36 56.57 2kb3 s GLN 11 Cb -0.10 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.62 2kb3 s GLN 11 CO 0.50 0.56 -0.04 0.08 -2.12 0.00 0.00 175.29 174.27 2kb3 s VAL 12 N -0.78 3.46 0.39 1.09 1.01 -1.26 -4.73 120.40 119.58 2kb3 s VAL 12 Ca 0.28 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2kb3 s VAL 12 Cb -0.18 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 2kb3 s VAL 12 CO 0.17 0.43 0.12 -1.61 0.00 0.00 0.00 175.10 174.20 2kb3 s GLU 13 N 1.32 2.17 0.00 2.72 0.41 -1.26 -5.12 118.70 118.94 2kb3 s GLU 13 Ca 0.04 -1.83 0.00 0.00 -0.41 0.00 0.00 54.97 52.77 2kb3 s GLU 13 Cb -0.14 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 2kb3 s GLU 13 CO -0.02 -0.03 0.00 2.41 -0.49 0.00 0.00 175.26 177.13 2kb3 n THR 14 N -1.13 0.00 0.00 3.63 -1.04 -1.26 -4.97 114.28 109.51 2kb3 n THR 14 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kb3 n THR 14 Cb 0.64 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 2kb3 n THR 14 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kb3 n SER 16 N -2.17 0.00 -4.62 8.00 7.64 -1.26 -4.91 113.62 116.31 2kb3 n SER 16 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2kb3 n SER 16 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.00 4.57 -0.18 0.44 1.01 -1.26 -4.61 120.40 118.37 2kb3 s VAL 17 Ca 0.00 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 2kb3 s VAL 17 Cb 0.00 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2kb3 s VAL 17 CO 0.00 -0.50 0.16 0.12 0.00 0.00 0.00 175.10 174.88 2kb3 s PHE 18 N 3.51 3.45 -0.26 5.22 2.19 -1.26 -5.06 117.98 125.77 2kb3 s PHE 18 Ca 0.40 0.41 -0.00 0.00 0.33 0.00 0.00 56.93 58.07 2kb3 s PHE 18 Cb -0.12 -2.15 0.08 0.00 -1.31 0.00 0.00 43.02 39.52 2kb3 s PHE 18 CO 0.17 0.37 0.03 0.50 1.83 0.00 0.00 175.22 178.12 2kb3 s ARG 19 N 0.11 1.07 -0.04 10.12 3.52 -1.26 -4.92 118.95 127.56 2kb3 s ARG 19 Ca 0.11 -0.99 0.04 0.00 -0.13 0.00 0.00 55.73 54.75 2kb3 s ARG 19 Cb -0.12 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 2kb3 s ARG 19 CO 0.00 -0.79 -0.15 0.00 -0.81 0.00 0.00 175.30 173.56 2kb3 s ALA 20 N 1.52 2.65 -2.10 6.12 0.00 -1.26 -5.01 121.76 123.68 2kb3 s ALA 20 Ca 0.03 -1.01 0.25 0.00 0.00 0.00 0.00 51.96 51.23 2kb3 s ALA 20 Cb -0.18 -0.93 1.36 0.00 0.00 0.00 0.00 23.12 23.38 2kb3 s ALA 20 CO -0.14 0.56 1.90 -0.40 0.00 0.00 0.00 175.76 177.68 2kb3 n ASP 21 N 2.20 0.40 0.02 0.00 5.75 -1.26 -3.91 116.55 119.74 2kb3 n ASP 21 Ca -0.17 -1.30 0.04 0.00 -0.01 0.00 0.00 54.79 53.34 2kb3 n ASP 21 Cb 0.52 -0.01 0.16 0.00 -1.03 0.00 0.00 41.12 40.76 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb3 n LEU 22 N -0.61 0.06 0.08 -2.12 -0.00 -1.26 -1.51 117.00 111.64 2kb3 n LEU 22 Ca 0.19 0.52 0.10 0.00 -0.00 0.00 0.00 56.01 56.82 2kb3 n LEU 22 Cb 0.15 -0.52 0.41 0.00 -0.00 0.00 0.00 43.42 43.46 2kb3 n LEU 22 CO 0.14 -0.44 0.80 0.00 -0.00 0.00 0.00 177.39 177.89 2kb3 n LEU 23 N -1.58 0.39 0.30 1.47 -0.00 -1.25 -1.99 117.00 114.35 2kb3 n LEU 23 Ca 0.01 0.60 0.19 0.00 -0.00 0.00 0.00 56.01 56.81 2kb3 n LEU 23 Cb 0.07 -0.55 0.91 0.00 -0.00 0.00 0.00 43.42 43.85 2kb3 n LEU 23 CO 0.06 -0.45 1.07 0.50 -0.00 0.00 0.00 177.39 178.57 2kb3 h LYS 24 N 0.00 0.00 0.00 1.47 3.64 -1.55 -3.04 116.57 117.09 2kb3 h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kb3 h LYS 24 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kb3 h LYS 24 CO 0.00 0.01 0.04 1.49 -2.27 0.00 0.00 179.45 178.72 2kb3 h GLU 25 N 0.00 0.00 -0.87 1.90 4.57 -1.63 -1.38 114.58 117.17 2kb3 h GLU 25 Ca -0.00 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2kb3 h GLU 25 Cb 0.29 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 2kb3 h GLU 25 CO 0.00 0.00 0.55 0.00 -1.18 0.00 0.00 179.01 178.39 2kb3 h MET 26 N 0.00 1.01 0.00 1.92 -0.00 -1.68 0.48 114.93 116.66 2kb3 h MET 26 Ca 0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.70 59.58 2kb3 h MET 26 Cb 0.08 -0.23 -0.01 0.00 -0.00 0.00 0.00 31.60 31.44 2kb3 h MET 26 CO 0.00 0.67 -1.17 -0.85 -0.00 0.00 0.00 176.91 175.55 2kb3 n GLU 27 N -4.58 0.61 0.10 -0.10 0.28 -0.52 -1.68 120.64 114.75 2kb3 n GLU 27 Ca 0.12 0.16 -0.18 0.00 -0.16 0.00 0.00 57.16 57.10 2kb3 n GLU 27 Cb 0.14 -1.82 -0.14 0.00 1.43 0.00 0.00 31.44 31.05 2kb3 n GLU 27 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2kb3 h SER 28 N 0.00 0.50 0.04 -1.84 4.64 -1.47 -3.36 113.55 112.06 2kb3 h SER 28 Ca -0.06 -0.56 -0.05 0.00 -0.47 0.00 0.00 61.79 60.64 2kb3 h SER 28 Cb 1.22 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2kb3 h SER 28 CO 0.02 1.45 -0.23 0.28 -0.87 0.00 0.00 176.83 177.47 2kb3 h SER 29 N 0.09 0.14 0.00 4.97 0.02 -1.01 -3.46 113.55 114.29 2kb3 h SER 29 Ca -0.18 -0.98 0.00 0.00 -0.84 0.00 0.00 61.79 59.78 2kb3 h SER 29 Cb 2.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.52 2kb3 h SER 29 CO 0.21 1.11 0.00 0.41 -1.14 0.00 0.00 176.83 177.42 2kb3 n THR 30 N -4.47 0.00 -1.31 -2.27 -1.04 -0.68 -4.44 114.28 100.07 2kb3 n THR 30 Ca -0.11 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.52 2kb3 n THR 30 Cb 0.58 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.06 2kb3 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 31 N 0.00 3.68 3.25 3.41 0.00 -1.26 -4.82 105.19 109.46 2kb3 n GLY 31 Ca 0.00 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 3.45 2.71 -0.31 2.61 2.01 -1.26 -5.10 115.64 119.74 2kb3 s THR 32 Ca 0.53 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 2kb3 s THR 32 Cb 0.14 -2.16 0.05 0.00 0.01 0.00 0.00 72.50 70.54 2kb3 s THR 32 CO -0.02 0.50 0.04 0.00 -0.69 0.00 0.00 174.62 174.45 2kb3 s ALA 33 N 1.01 2.89 0.45 7.40 0.00 -1.26 -5.09 121.76 127.15 2kb3 s ALA 33 Ca -0.02 -1.79 -0.25 0.00 0.00 0.00 0.00 51.96 49.91 2kb3 s ALA 33 Cb -0.15 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 2kb3 s ALA 33 CO -0.03 -1.31 1.38 -2.30 0.00 0.00 0.00 175.76 173.50 2kb3 n PRO 34 N 4.67 2.12 -2.86 0.00 -0.02 -1.26 -4.95 135.00 132.70 2kb3 n PRO 34 Ca -0.13 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2kb3 n PRO 34 Cb 0.44 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 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 -1.20 3.40 -1.14 3.55 0.00 -1.24 -4.98 121.76 120.15 2kb3 s ALA 35 Ca 0.62 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 2kb3 s ALA 35 Cb -0.47 -3.22 0.24 0.00 0.00 0.00 0.00 23.12 19.67 2kb3 s ALA 35 CO 0.57 -0.45 1.22 -1.54 0.00 0.00 0.00 175.76 175.56 2kb3 s SER 36 N 1.04 7.22 0.03 0.00 1.04 -1.26 -4.25 113.70 117.53 2kb3 s SER 36 Ca 0.42 -3.36 0.15 0.00 0.48 0.00 0.00 55.95 53.63 2kb3 s SER 36 Cb -0.18 -2.28 -0.17 0.00 0.10 0.00 0.00 66.02 63.49 2kb3 s SER 36 CO 0.17 -0.46 0.79 0.00 0.98 0.00 0.00 173.24 174.72 2kb3 h THR 37 N 4.05 0.69 0.00 2.02 1.03 -1.94 -3.47 112.91 115.29 2kb3 h THR 37 Ca 0.23 -2.33 0.00 0.00 -0.01 0.00 0.00 66.41 64.29 2kb3 h THR 37 Cb 0.88 2.23 0.00 0.00 -1.07 0.00 0.00 68.15 70.18 2kb3 h THR 37 CO 1.09 0.39 0.00 0.61 -0.01 0.00 0.00 175.52 177.61 2kb3 n GLY 38 N 1.45 -0.48 0.28 2.99 0.00 -1.26 -5.03 105.19 103.14 2kb3 n GLY 38 Ca -0.12 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 0.64 0.00 4.61 0.00 -1.91 -2.67 119.26 119.93 2kb3 h ALA 39 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kb3 h ALA 39 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kb3 h ALA 39 CO 0.00 0.68 0.00 -0.85 0.00 0.00 0.00 179.25 179.08 2kb3 n GLU 40 N -4.09 0.09 0.01 0.00 0.28 -1.26 -2.02 120.64 113.64 2kb3 n GLU 40 Ca -0.01 0.27 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 2kb3 n GLU 40 Cb 0.50 -1.65 -0.04 0.00 1.43 0.00 0.00 31.44 31.68 2kb3 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kb3 n ASN 41 N -1.81 0.71 -2.81 -1.84 4.13 -1.02 -5.02 115.26 107.60 2kb3 n ASN 41 Ca 0.04 -0.58 -0.05 0.00 1.68 0.00 0.00 54.58 55.67 2kb3 n ASN 41 Cb 0.24 0.96 0.01 0.00 -1.54 0.00 0.00 39.78 39.45 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kb3 n LEU 42 N -1.71 -7.94 -0.29 3.41 4.77 -0.86 -4.86 117.00 109.52 2kb3 n LEU 42 Ca 0.03 0.86 -0.07 0.00 -0.03 0.00 0.00 56.01 56.80 2kb3 n LEU 42 Cb 0.39 -3.37 -0.06 0.00 -2.33 0.00 0.00 43.42 38.05 2kb3 n LEU 42 CO 0.42 -2.66 0.34 -0.81 -1.33 0.00 0.00 177.39 173.35 2kb3 n PRO 43 N 0.07 -0.29 -0.03 3.23 -0.04 -1.23 -2.34 135.00 134.38 2kb3 n PRO 43 Ca 0.07 1.06 0.00 0.00 -0.04 0.00 0.00 63.50 64.59 2kb3 n PRO 43 Cb 0.30 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 44 N -3.49 1.33 0.00 0.55 0.00 -1.24 -4.39 120.51 113.26 2kb3 n ALA 44 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2kb3 n ALA 44 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.15 2.73 3.02 0.00 0.00 -0.99 -4.95 105.19 104.85 2kb3 n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.08 0.45 0.10 1.61 0.01 -1.26 -4.74 113.70 106.79 2kb3 s SER 46 Ca 0.00 -0.59 -0.16 0.00 1.31 0.00 0.00 55.95 56.51 2kb3 s SER 46 Cb 0.00 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.36 2kb3 s SER 46 CO 0.00 -0.32 0.38 0.00 0.41 0.00 0.00 173.24 173.72 2kb3 s ALA 47 N -1.80 -0.89 0.12 1.44 0.00 -1.21 -3.75 121.76 115.67 2kb3 s ALA 47 Ca -0.11 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 51.95 2kb3 s ALA 47 Cb -0.07 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2kb3 s ALA 47 CO -0.02 -0.58 -0.26 -0.48 0.00 0.00 0.00 175.76 174.42 2kb3 s LEU 48 N -2.59 2.31 -0.05 0.00 0.05 -0.86 -0.20 118.68 117.34 2kb3 s LEU 48 Ca 0.01 -0.73 0.04 0.00 0.05 0.00 0.00 54.13 53.50 2kb3 s LEU 48 Cb 0.01 -1.17 -0.02 0.00 -2.05 0.00 0.00 46.19 42.96 2kb3 s LEU 48 CO -0.09 0.16 -0.16 -1.48 -0.55 0.00 0.00 176.35 174.23 2kb3 s LEU 49 N -1.99 2.64 -0.08 1.48 2.34 0.29 -0.05 118.68 123.32 2kb3 s LEU 49 Ca 0.13 -0.24 0.03 0.00 0.06 0.00 0.00 54.13 54.10 2kb3 s LEU 49 Cb -0.10 -1.53 -0.02 0.00 -0.56 0.00 0.00 46.19 43.99 2kb3 s LEU 49 CO 0.05 0.33 -0.16 0.54 -1.06 0.00 0.00 176.35 176.06 2kb3 s VAL 50 N -0.67 2.88 -0.28 1.48 0.11 -0.10 -0.74 120.40 123.07 2kb3 s VAL 50 Ca 0.10 -0.77 -0.27 0.00 -2.93 0.00 0.00 61.98 58.12 2kb3 s VAL 50 Cb -0.11 -2.14 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 2kb3 s VAL 50 CO 0.01 0.57 0.94 -0.69 -3.33 0.00 0.00 175.10 172.59 2kb3 s VAL 51 N -0.28 4.69 -0.14 2.04 1.01 0.35 -0.91 120.40 127.15 2kb3 s VAL 51 Ca 0.02 1.62 0.13 0.00 0.00 0.00 0.00 61.98 63.75 2kb3 s VAL 51 Cb -0.13 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.75 2kb3 s VAL 51 CO 0.03 -0.27 0.27 1.17 0.00 0.00 0.00 175.10 176.30 2kb3 n LYS 52 N 6.40 0.67 -3.81 2.72 3.00 0.17 -0.25 118.16 127.05 2kb3 n LYS 52 Ca 0.08 0.13 -0.13 0.00 -0.00 0.00 0.00 58.31 58.40 2kb3 n LYS 52 Cb 0.47 -1.63 -0.13 0.00 0.00 0.00 0.00 35.03 33.74 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 -2.53 0.12 0.00 1.64 6.06 -1.10 -4.74 118.95 118.40 2kb3 s ARG 53 Ca -0.11 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.32 2kb3 s ARG 53 Cb 0.07 0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.08 2kb3 s ARG 53 CO 0.81 -0.05 0.00 0.41 -2.50 0.00 0.00 175.30 173.97 2kb3 n GLY 54 N 3.30 1.92 0.37 8.12 0.00 -1.26 -1.39 105.19 116.25 2kb3 n GLY 54 Ca -0.16 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 0.80 -0.75 1.61 0.11 -1.96 -1.76 132.00 130.06 2kb3 h PRO 55 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 2kb3 h PRO 55 Cb 0.00 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 30.86 2kb3 h PRO 55 CO 0.00 0.53 0.15 0.09 -0.21 0.00 0.00 178.00 178.56 2kb3 n ASN 56 N -4.53 4.62 -4.76 -2.05 3.02 -1.26 -4.96 115.26 105.33 2kb3 n ASN 56 Ca 0.15 -2.94 -0.41 0.00 -0.03 0.00 0.00 54.58 51.35 2kb3 n ASN 56 Cb 0.34 -0.69 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb3 s ALA 57 N -2.56 3.68 0.00 5.41 0.00 -0.66 -2.13 121.76 125.49 2kb3 s ALA 57 Ca 0.46 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2kb3 s ALA 57 Cb 0.36 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kb3 s ALA 57 CO 0.12 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2kb3 n GLY 58 N 1.36 2.61 3.80 0.00 0.00 0.66 -4.99 105.19 108.63 2kb3 n GLY 58 Ca 0.05 0.00 -0.39 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 -2.58 3.56 -0.02 4.61 0.00 -0.91 -4.89 121.76 121.53 2kb3 s ALA 59 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.10 2kb3 s ALA 59 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2kb3 s ALA 59 CO 0.00 0.36 -0.15 -0.98 0.00 0.00 0.00 175.76 174.99 2kb3 s ARG 60 N -1.04 1.36 -0.03 0.00 1.70 -1.26 -0.49 118.95 119.19 2kb3 s ARG 60 Ca 0.30 -0.52 0.05 0.00 -0.47 0.00 0.00 55.73 55.09 2kb3 s ARG 60 Cb -0.20 -1.26 -0.01 0.00 -0.57 0.00 0.00 34.95 32.91 2kb3 s ARG 60 CO 0.20 0.26 -0.19 -0.06 -1.08 0.00 0.00 175.30 174.44 2kb3 s PHE 61 N -0.13 1.76 -0.13 5.89 0.08 0.08 -4.95 117.98 120.57 2kb3 s PHE 61 Ca 0.01 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 2kb3 s PHE 61 Cb -0.08 -1.15 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 2kb3 s PHE 61 CO 0.00 -0.08 0.26 -1.17 -0.10 0.00 0.00 175.22 174.14 2kb3 s LEU 62 N -0.29 4.31 -0.49 -0.37 0.20 -1.26 -0.54 118.68 120.24 2kb3 s LEU 62 Ca 0.04 0.55 -0.17 0.00 0.69 0.00 0.00 54.13 55.24 2kb3 s LEU 62 Cb -0.09 -2.31 0.07 0.00 -0.43 0.00 0.00 46.19 43.43 2kb3 s LEU 62 CO 0.00 0.22 0.48 -0.76 -0.29 0.00 0.00 176.35 176.00 2kb3 s LEU 63 N -0.15 5.40 0.00 -0.68 1.43 0.72 -4.76 118.68 120.64 2kb3 s LEU 63 Ca 0.16 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2kb3 s LEU 63 Cb -0.13 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2kb3 s LEU 63 CO 0.05 -0.74 0.51 -0.90 0.23 0.00 0.00 176.35 175.50 2kb3 n ASP 64 N 5.55 0.73 -4.66 2.29 5.68 -1.26 -3.31 116.55 121.57 2kb3 n ASP 64 Ca -0.10 -1.26 -0.34 0.00 -0.50 0.00 0.00 54.79 52.58 2kb3 n ASP 64 Cb 0.44 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.33 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kb3 s GLN 65 N -0.26 2.88 0.56 0.11 0.00 -1.26 -5.01 119.66 116.68 2kb3 s GLN 65 Ca 0.00 -0.50 0.25 0.00 -0.00 0.00 0.00 55.36 55.12 2kb3 s GLN 65 Cb 0.00 -2.72 1.53 0.00 0.00 0.00 0.00 33.01 31.82 2kb3 s GLN 65 CO 0.00 0.67 2.11 -1.35 0.00 0.00 0.00 175.29 176.72 2kb3 h PRO 66 N 4.92 0.00 -3.65 9.60 0.11 -1.93 -3.37 132.00 137.68 2kb3 h PRO 66 Ca -0.50 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.22 2kb3 h PRO 66 Cb 1.18 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 2kb3 h PRO 66 CO 0.55 0.00 -0.76 0.99 -0.21 0.00 0.00 178.00 178.57 2kb3 s THR 67 N -4.82 0.23 -0.15 -1.15 2.01 -1.26 -0.45 115.64 110.04 2kb3 s THR 67 Ca -0.05 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.12 2kb3 s THR 67 Cb 0.17 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.32 2kb3 s THR 67 CO 0.62 0.21 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.71 2kb3 s THR 68 N 1.67 1.68 -0.13 -0.82 2.01 0.11 -5.00 115.64 115.16 2kb3 s THR 68 Ca -0.00 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.13 2kb3 s THR 68 Cb -0.13 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 2kb3 s THR 68 CO -0.03 0.48 0.36 -0.89 -0.69 0.00 0.00 174.62 173.85 2kb3 s THR 69 N 1.37 5.25 -0.05 -0.82 2.01 -1.26 -0.21 115.64 121.92 2kb3 s THR 69 Ca 0.03 0.71 0.06 0.00 0.31 0.00 0.00 61.69 62.80 2kb3 s THR 69 Cb -0.13 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2kb3 s THR 69 CO -0.10 0.39 -0.23 0.00 -0.69 0.00 0.00 174.62 173.99 2kb3 s ALA 70 N 0.37 1.96 0.00 7.40 0.00 -0.46 -0.46 121.76 130.58 2kb3 s ALA 70 Ca 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2kb3 s ALA 70 Cb -0.14 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2kb3 s ALA 70 CO 0.07 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2kb3 n GLY 71 N 2.99 0.93 3.52 0.00 0.00 -0.82 -1.29 105.19 110.53 2kb3 n GLY 71 Ca -0.18 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -1.81 3.65 -0.26 1.61 3.52 0.62 -2.73 118.95 123.56 2kb3 s ARG 72 Ca 0.00 -0.52 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 2kb3 s ARG 72 Cb 0.00 -3.64 0.17 0.00 -1.56 0.00 0.00 34.95 29.92 2kb3 s ARG 72 CO 0.00 -0.31 1.27 -1.58 -0.81 0.00 0.00 175.30 173.87 2kb3 s HIS 73 N 1.70 -0.14 0.25 5.12 2.46 -1.26 -4.09 115.29 119.33 2kb3 s HIS 73 Ca 0.06 0.26 -0.06 0.00 0.47 0.00 0.00 55.06 55.79 2kb3 s HIS 73 Cb -0.16 0.48 0.26 0.00 -0.13 0.00 0.00 32.58 33.02 2kb3 s HIS 73 CO 0.09 -0.12 1.91 -1.35 -2.47 0.00 0.00 174.74 172.81 2kb3 h PRO 74 N 2.42 1.24 -0.71 2.88 0.11 -1.95 -2.41 132.00 133.58 2kb3 h PRO 74 Ca -0.14 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2kb3 h PRO 74 Cb 1.18 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2kb3 h PRO 74 CO 0.23 0.82 0.00 0.39 -0.21 0.00 0.00 178.00 179.23 2kb3 n GLU 75 N -4.43 3.49 -2.01 1.05 1.02 -1.26 -4.90 120.64 113.60 2kb3 n GLU 75 Ca 0.12 -2.06 -0.42 0.00 -0.02 0.00 0.00 57.16 54.78 2kb3 n GLU 75 Cb 0.04 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.46 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kb3 s SER 76 N -0.54 6.67 0.13 1.62 0.01 -0.91 -4.73 113.70 115.95 2kb3 s SER 76 Ca 0.36 2.32 -0.09 0.00 1.31 0.00 0.00 55.95 59.85 2kb3 s SER 76 Cb 0.27 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 2kb3 s SER 76 CO 0.11 -0.87 1.36 0.44 0.41 0.00 0.00 173.24 174.69 2kb3 h ASP 77 N 8.75 0.82 -3.45 2.44 3.32 -1.28 -3.36 116.42 123.66 2kb3 h ASP 77 Ca -0.41 -0.52 -0.72 0.00 0.02 0.00 0.00 57.03 55.41 2kb3 h ASP 77 Cb 1.19 -0.24 -0.31 0.00 0.22 0.00 0.00 39.33 40.19 2kb3 h ASP 77 CO 0.93 1.30 -0.41 -0.63 -1.72 0.00 0.00 179.24 178.71 2kb3 s ILE 78 N -3.77 3.98 -0.25 0.35 -1.09 0.40 -4.99 121.20 115.82 2kb3 s ILE 78 Ca -0.09 -2.00 -0.19 0.00 -2.23 0.00 0.00 60.65 56.14 2kb3 s ILE 78 Cb 0.09 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 2kb3 s ILE 78 CO 0.88 -0.78 0.57 0.12 -1.23 0.00 0.00 174.94 174.51 2kb3 s PHE 79 N 1.12 3.28 -0.02 3.97 5.36 -1.26 -1.95 117.98 128.48 2kb3 s PHE 79 Ca 0.08 0.73 0.05 0.00 -0.96 0.00 0.00 56.93 56.82 2kb3 s PHE 79 Cb -0.24 -2.78 -0.01 0.00 -0.34 0.00 0.00 43.02 39.65 2kb3 s PHE 79 CO -0.02 -0.29 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.78 2kb3 s LEU 80 N 2.37 1.98 -0.32 6.12 1.43 -1.10 -4.90 118.68 124.26 2kb3 s LEU 80 Ca 0.24 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2kb3 s LEU 80 Cb -0.16 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2kb3 s LEU 80 CO 0.09 0.18 0.20 -0.62 0.23 0.00 0.00 176.35 176.42 2kb3 s ASP 81 N -0.23 5.88 0.19 2.29 -1.08 -1.26 -3.86 116.67 118.61 2kb3 s ASP 81 Ca 0.03 -0.36 0.02 0.00 -0.52 0.00 0.00 52.55 51.72 2kb3 s ASP 81 Cb -0.08 -2.09 0.02 0.00 -1.46 0.00 0.00 42.92 39.32 2kb3 s ASP 81 CO 0.00 -0.18 0.19 -0.90 0.52 0.00 0.00 175.17 174.80 2kb3 n ASP 82 N 5.06 1.25 0.09 -0.34 5.75 -1.26 -4.88 116.55 122.22 2kb3 n ASP 82 Ca -0.13 -1.60 -0.08 0.00 -0.01 0.00 0.00 54.79 52.97 2kb3 n ASP 82 Cb 0.50 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2kb3 h VAL 83 N 0.35 1.49 -1.31 2.12 2.07 -1.97 -3.46 116.25 115.53 2kb3 h VAL 83 Ca -0.11 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2kb3 h VAL 83 Cb 0.43 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2kb3 h VAL 83 CO 0.17 0.75 0.00 1.07 0.02 0.00 0.00 177.57 179.57 2kb3 n THR 84 N -3.67 0.00 -3.48 2.57 5.66 -1.26 -5.06 114.28 109.04 2kb3 n THR 84 Ca -0.03 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.54 2kb3 n THR 84 Cb 0.79 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.51 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 1.47 4.67 -1.03 1.08 1.01 -1.26 -4.98 120.40 121.36 2kb3 s VAL 85 Ca 0.00 -2.14 -0.15 0.00 0.00 0.00 0.00 61.98 59.69 2kb3 s VAL 85 Cb 0.00 -3.99 0.17 0.00 0.00 0.00 0.00 36.38 32.56 2kb3 s VAL 85 CO 0.00 -0.88 1.17 -0.55 0.00 0.00 0.00 175.10 174.85 2kb3 s SER 86 N 2.34 6.88 0.56 3.32 0.15 -1.26 -4.82 113.70 120.86 2kb3 s SER 86 Ca 0.11 -2.64 0.25 0.00 0.70 0.00 0.00 55.95 54.37 2kb3 s SER 86 Cb -0.21 -2.35 1.52 0.00 -1.71 0.00 0.00 66.02 63.26 2kb3 s SER 86 CO -0.03 -0.79 2.10 0.08 1.20 0.00 0.00 173.24 175.80 2kb3 h ARG 87 N 7.86 0.00 -1.63 5.44 -0.00 -1.89 0.18 114.38 124.34 2kb3 h ARG 87 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.14 2kb3 h ARG 87 Cb 0.96 0.00 -0.26 0.00 -0.00 0.00 0.00 29.97 30.67 2kb3 h ARG 87 CO 1.09 0.00 -0.38 1.03 -0.00 0.00 0.00 179.97 181.71 2kb3 s ARG 88 N -4.83 0.44 -0.25 0.08 1.81 -1.26 -4.18 118.95 110.75 2kb3 s ARG 88 Ca -0.05 0.79 -0.15 0.00 -1.72 0.00 0.00 55.73 54.60 2kb3 s ARG 88 Cb 0.17 0.02 -0.10 0.00 -0.45 0.00 0.00 34.95 34.59 2kb3 s ARG 88 CO 0.62 -0.58 -0.35 1.58 -0.68 0.00 0.00 175.30 175.89 2kb3 n HIS 89 N 5.39 0.00 -3.81 -0.53 -0.00 -0.41 -3.00 115.22 112.86 2kb3 n HIS 89 Ca -0.03 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.03 2kb3 n HIS 89 Cb 0.50 -0.84 -0.09 0.00 -0.12 0.00 0.00 29.99 29.44 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb3 s ALA 90 N -2.61 -0.54 -0.11 1.57 0.00 -0.96 -0.78 121.76 118.34 2kb3 s ALA 90 Ca -0.36 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2kb3 s ALA 90 Cb 0.12 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 2kb3 s ALA 90 CO 0.46 -0.29 -0.21 -2.00 0.00 0.00 0.00 175.76 173.73 2kb3 s GLU 91 N -1.78 3.14 -0.33 0.00 2.56 0.80 -1.35 118.70 121.74 2kb3 s GLU 91 Ca -0.11 -0.83 -0.09 0.00 0.00 0.00 0.00 54.97 53.95 2kb3 s GLU 91 Cb -0.04 -2.40 0.01 0.00 2.00 0.00 0.00 34.13 33.69 2kb3 s GLU 91 CO 0.01 0.17 0.14 -0.06 -0.56 0.00 0.00 175.26 174.96 2kb3 s PHE 92 N 0.40 3.19 -0.15 5.30 0.40 0.70 -0.62 117.98 127.21 2kb3 s PHE 92 Ca -0.16 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.27 2kb3 s PHE 92 Cb -0.17 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 2kb3 s PHE 92 CO 0.07 -0.57 -0.01 1.03 0.70 0.00 0.00 175.22 176.44 2kb3 s ARG 93 N 1.55 3.59 -0.24 0.44 0.52 0.46 0.06 118.95 125.33 2kb3 s ARG 93 Ca 0.03 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2kb3 s ARG 93 Cb -0.18 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.40 2kb3 s ARG 93 CO 0.05 0.34 -0.12 0.42 0.02 0.00 0.00 175.30 176.01 2kb3 s ILE 94 N 0.12 2.30 -0.07 1.52 1.09 0.40 -0.53 121.20 126.03 2kb3 s ILE 94 Ca 0.01 -1.36 -0.01 0.00 -1.10 0.00 0.00 60.65 58.19 2kb3 s ILE 94 Cb -0.13 -2.23 0.03 0.00 -1.06 0.00 0.00 42.46 39.06 2kb3 s ILE 94 CO 0.02 0.14 -0.01 0.21 -0.10 0.00 0.00 174.94 175.20 2kb3 s ASN 95 N 1.19 1.53 -1.46 3.58 3.84 0.11 -3.97 114.94 119.76 2kb3 s ASN 95 Ca -0.04 -0.11 -0.09 0.00 0.21 0.00 0.00 52.86 52.84 2kb3 s ASN 95 Cb -0.18 -0.47 0.04 0.00 -0.55 0.00 0.00 41.25 40.09 2kb3 s ASN 95 CO -0.07 -0.17 0.83 1.21 -2.79 0.00 0.00 177.10 176.12 2kb3 n GLU 96 N 4.97 -5.64 -0.77 0.43 2.13 -1.26 -1.33 120.64 119.16 2kb3 n GLU 96 Ca -0.10 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2kb3 n GLU 96 Cb 0.50 -5.65 0.00 0.00 0.27 0.00 0.00 31.44 26.56 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kb3 n GLY 97 N -1.64 0.90 3.73 8.31 0.00 -1.26 -5.03 105.19 110.20 2kb3 n GLY 97 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.22 4.00 -0.27 1.61 2.02 -0.45 -4.93 118.70 120.46 2kb3 s GLU 98 Ca 0.00 -0.24 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 2kb3 s GLU 98 Cb 0.00 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 2kb3 s GLU 98 CO 0.00 0.38 0.09 -0.06 0.02 0.00 0.00 175.26 175.69 2kb3 s PHE 99 N 0.12 3.12 0.01 1.61 0.40 -1.26 -0.71 117.98 121.27 2kb3 s PHE 99 Ca 0.08 -0.56 0.07 0.00 -0.60 0.00 0.00 56.93 55.92 2kb3 s PHE 99 Cb -0.11 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 2kb3 s PHE 99 CO -0.01 -0.42 -0.21 -1.83 0.70 0.00 0.00 175.22 173.45 2kb3 s GLU 100 N 1.59 1.57 -0.18 0.44 -1.05 0.31 -0.90 118.70 120.49 2kb3 s GLU 100 Ca 0.05 -0.86 -0.02 0.00 -0.15 0.00 0.00 54.97 53.99 2kb3 s GLU 100 Cb -0.16 -1.61 -0.00 0.00 -0.44 0.00 0.00 34.13 31.91 2kb3 s GLU 100 CO 0.04 0.43 -0.11 0.08 0.95 0.00 0.00 175.26 176.65 2kb3 s VAL 101 N -0.65 2.98 -0.08 1.83 1.01 0.81 -0.40 120.40 125.89 2kb3 s VAL 101 Ca 0.08 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2kb3 s VAL 101 Cb -0.09 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 2kb3 s VAL 101 CO 0.01 0.48 -0.23 0.68 0.00 0.00 0.00 175.10 176.04 2kb3 s VAL 102 N 1.04 2.21 -0.03 2.92 -7.23 0.21 -0.67 120.40 118.87 2kb3 s VAL 102 Ca -0.00 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 2kb3 s VAL 102 Cb -0.15 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 2kb3 s VAL 102 CO -0.02 0.56 1.11 -0.62 -0.31 0.00 0.00 175.10 175.82 2kb3 s ASP 103 N 0.09 7.17 -0.05 4.85 -1.08 0.17 -0.14 116.67 127.67 2kb3 s ASP 103 Ca -0.10 1.77 0.08 0.00 -0.52 0.00 0.00 52.55 53.77 2kb3 s ASP 103 Cb -0.16 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 38.85 2kb3 s ASP 103 CO 0.06 -0.46 0.99 1.33 0.52 0.00 0.00 175.17 177.61 2kb3 n VAL 104 N 4.28 0.98 -2.69 1.11 0.24 0.04 -4.90 118.33 117.39 2kb3 n VAL 104 Ca 0.09 -1.13 -0.03 0.00 -2.04 0.00 0.00 64.34 61.23 2kb3 n VAL 104 Cb 0.48 0.28 0.03 0.00 -1.47 0.00 0.00 33.84 33.15 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 -1.61 -1.84 0.00 7.63 0.00 -0.33 -4.61 107.32 106.57 2kb3 s GLY 105 Ca 0.13 0.59 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 2kb3 s GLY 105 CO 0.01 4.26 2.12 -1.26 0.00 0.00 0.00 173.10 178.23 2kb3 n SER 106 N 2.74 4.68 -0.05 1.64 2.88 -1.26 -3.88 113.62 120.37 2kb3 n SER 106 Ca 0.11 -2.27 -0.06 0.00 -1.33 0.00 0.00 58.87 55.32 2kb3 n SER 106 Cb 0.64 -1.05 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kb3 n LEU 107 N 1.80 0.42 -0.01 2.46 7.94 -1.26 -4.16 117.00 124.19 2kb3 n LEU 107 Ca 0.09 0.20 0.06 0.00 -1.11 0.00 0.00 56.01 55.25 2kb3 n LEU 107 Cb 0.53 0.29 -0.09 0.00 0.53 0.00 0.00 43.42 44.67 2kb3 n LEU 107 CO 0.03 0.37 -0.63 -3.20 -1.11 0.00 0.00 177.39 172.85 2kb3 n ASN 108 N -2.83 2.33 -0.00 1.96 5.15 -1.25 -4.54 115.26 116.08 2kb3 n ASN 108 Ca -0.22 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2kb3 n ASN 108 Cb 1.03 1.52 0.00 0.00 -0.53 0.00 0.00 39.78 41.79 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb3 n GLY 109 N 1.84 0.74 3.71 8.20 0.00 -1.26 -3.38 105.19 115.03 2kb3 n GLY 109 Ca -0.02 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N 0.00 5.05 -0.02 2.61 2.01 -1.26 -1.08 115.64 122.95 2kb3 s THR 110 Ca 0.00 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.39 2kb3 s THR 110 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2kb3 s THR 110 CO 0.00 0.23 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.80 2kb3 s TYR 111 N 0.96 0.54 -0.06 4.92 2.02 0.80 -0.84 117.35 125.70 2kb3 s TYR 111 Ca 0.35 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2kb3 s TYR 111 Cb -0.17 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 2kb3 s TYR 111 CO 0.16 -0.06 -0.13 0.08 -1.57 0.00 0.00 175.55 174.03 2kb3 s VAL 112 N 0.22 1.18 -1.46 0.71 1.01 0.89 -0.05 120.40 122.90 2kb3 s VAL 112 Ca -0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 2kb3 s VAL 112 Cb -0.06 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2kb3 s VAL 112 CO -0.00 0.36 0.80 0.59 0.00 0.00 0.00 175.10 176.85 2kb3 n ASN 113 N 3.71 -5.55 -0.94 3.32 5.03 -0.05 -1.12 115.26 119.65 2kb3 n ASN 113 Ca -0.22 -0.46 -0.12 0.00 0.87 0.00 0.00 54.58 54.65 2kb3 n ASN 113 Cb 0.52 -4.45 -0.05 0.00 -1.02 0.00 0.00 39.78 34.78 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kb3 n ARG 114 N -4.34 -1.37 -5.11 3.52 1.74 -1.26 -4.81 116.66 105.02 2kb3 n ARG 114 Ca -0.04 0.91 -0.32 0.00 -0.77 0.00 0.00 57.85 57.63 2kb3 n ARG 114 Cb 0.57 -5.16 -0.15 0.00 -1.02 0.00 0.00 32.46 26.70 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 -2.94 2.53 0.12 5.56 2.02 -0.28 -4.11 118.70 121.61 2kb3 s GLU 115 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 53.85 2kb3 s GLU 115 Cb 0.00 -2.25 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 2kb3 s GLU 115 CO 0.00 0.47 1.85 -2.14 0.02 0.00 0.00 175.26 175.47 2kb3 s PRO 116 N -0.37 4.13 0.20 0.39 0.02 -1.26 -0.08 135.00 138.03 2kb3 s PRO 116 Ca 0.03 2.62 0.08 0.00 0.02 0.00 0.00 61.00 63.74 2kb3 s PRO 116 Cb -0.12 -3.64 -0.05 0.00 0.02 0.00 0.00 34.50 30.72 2kb3 s PRO 116 CO 0.02 -0.86 -0.15 1.03 -0.33 0.00 0.00 177.00 176.71 2kb3 s ARG 117 N 2.87 1.30 0.00 5.54 1.81 -0.02 -4.87 118.95 125.59 2kb3 s ARG 117 Ca 0.82 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 2kb3 s ARG 117 Cb -0.46 -1.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.92 2kb3 s ARG 117 CO 0.37 0.19 0.00 -1.71 -0.68 0.00 0.00 175.30 173.47 2kb3 n ASN 118 N -0.27 3.72 -3.73 0.23 4.05 -1.26 -4.44 115.26 113.56 2kb3 n ASN 118 Ca -0.09 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 54.82 2kb3 n ASN 118 Cb 0.60 0.41 -0.11 0.00 1.23 0.00 0.00 39.78 41.91 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 -1.72 -0.95 -0.15 5.20 0.00 -1.26 0.41 121.76 123.29 2kb3 s ALA 119 Ca 0.00 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.98 2kb3 s ALA 119 Cb 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.46 2kb3 s ALA 119 CO 0.00 -0.20 0.47 -1.14 0.00 0.00 0.00 175.76 174.89 2kb3 s GLN 120 N 0.57 0.61 -0.20 0.00 -0.44 0.15 -5.01 119.66 115.34 2kb3 s GLN 120 Ca -0.03 0.53 -0.24 0.00 -2.50 0.00 0.00 55.36 53.12 2kb3 s GLN 120 Cb -0.05 0.29 -0.01 0.00 -1.64 0.00 0.00 33.01 31.60 2kb3 s GLN 120 CO -0.03 -0.10 0.79 0.08 0.50 0.00 0.00 175.29 176.52 2kb3 s VAL 121 N -0.04 4.90 -0.09 1.34 1.01 -1.26 -0.14 120.40 126.12 2kb3 s VAL 121 Ca -0.02 1.51 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 2kb3 s VAL 121 Cb -0.03 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2kb3 s VAL 121 CO 0.02 0.01 0.57 -0.32 0.00 0.00 0.00 175.10 175.38 2kb3 s MET 122 N 2.33 4.37 0.16 2.72 1.75 -0.08 -4.94 119.30 125.61 2kb3 s MET 122 Ca 0.35 0.64 0.11 0.00 -1.25 0.00 0.00 55.69 55.54 2kb3 s MET 122 Cb -0.16 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 2kb3 s MET 122 CO 0.10 0.14 -0.25 -0.65 -0.65 0.00 0.00 175.02 173.71 2kb3 s GLN 123 N 0.62 1.46 0.15 4.11 -0.21 -1.26 -4.64 119.66 119.89 2kb3 s GLN 123 Ca 0.31 -1.44 -0.30 0.00 0.02 0.00 0.00 55.36 53.95 2kb3 s GLN 123 Cb -0.16 -1.87 -0.07 0.00 1.00 0.00 0.00 33.01 31.91 2kb3 s GLN 123 CO 0.14 0.42 1.19 0.95 -2.12 0.00 0.00 175.29 175.88 2kb3 s THR 124 N -1.38 3.69 0.00 -0.19 -4.23 -1.26 -2.84 115.64 109.43 2kb3 s THR 124 Ca 0.17 1.37 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2kb3 s THR 124 Cb -0.09 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2kb3 s THR 124 CO 0.08 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2kb3 n GLY 125 N 2.45 0.15 3.87 3.99 0.00 0.95 -4.50 105.19 112.10 2kb3 n GLY 125 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.12 6.58 -0.14 1.61 1.11 -1.13 -3.60 116.67 118.97 2kb3 s ASP 126 Ca 0.00 1.23 -0.03 0.00 0.18 0.00 0.00 52.55 53.93 2kb3 s ASP 126 Cb 0.00 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.60 2kb3 s ASP 126 CO 0.00 -0.40 -0.06 -1.83 1.18 0.00 0.00 175.17 174.06 2kb3 s GLU 127 N -3.75 3.56 -0.11 8.23 -1.05 -1.26 -2.26 118.70 122.06 2kb3 s GLU 127 Ca 0.53 -0.55 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 2kb3 s GLU 127 Cb -0.10 -2.84 -0.02 0.00 -0.44 0.00 0.00 34.13 30.73 2kb3 s GLU 127 CO 0.29 0.27 -0.14 0.42 0.95 0.00 0.00 175.26 177.05 2kb3 s ILE 128 N 0.27 2.95 -0.16 1.83 1.01 0.85 -0.88 121.20 127.08 2kb3 s ILE 128 Ca -0.04 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2kb3 s ILE 128 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 2kb3 s ILE 128 CO 0.03 0.54 -0.21 -1.58 0.00 0.00 0.00 174.94 173.73 2kb3 s GLN 129 N 0.11 3.02 -0.35 2.79 0.74 0.93 -0.11 119.66 126.79 2kb3 s GLN 129 Ca -0.07 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.52 2kb3 s GLN 129 Cb -0.15 -2.51 0.09 0.00 1.10 0.00 0.00 33.01 31.55 2kb3 s GLN 129 CO 0.05 -0.10 0.07 0.42 -0.55 0.00 0.00 175.29 175.18 2kb3 s ILE 130 N 1.02 2.65 0.00 -2.34 1.01 -0.84 -0.14 121.20 122.56 2kb3 s ILE 130 Ca -0.02 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.56 2kb3 s ILE 130 Cb -0.14 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2kb3 s ILE 130 CO -0.06 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 174.98 2kb3 n GLY 131 N 4.42 1.17 0.96 6.18 0.00 -0.24 -0.04 105.19 117.63 2kb3 n GLY 131 Ca -0.02 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 2.24 -2.75 1.61 5.02 -1.26 -4.96 118.16 118.05 2kb3 n LYS 132 Ca 0.00 -2.06 -0.28 0.00 -2.02 0.00 0.00 58.31 53.95 2kb3 n LYS 132 Cb 0.00 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb3 s PHE 133 N -1.35 3.54 -0.07 2.13 0.40 0.94 -4.46 117.98 119.10 2kb3 s PHE 133 Ca 0.32 0.83 -0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2kb3 s PHE 133 Cb 0.19 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.44 2kb3 s PHE 133 CO 0.26 -0.20 -0.04 1.03 0.70 0.00 0.00 175.22 176.98 2kb3 s ARG 134 N -4.46 0.94 -0.10 0.44 1.81 -0.48 -1.99 118.95 115.11 2kb3 s ARG 134 Ca 0.48 -0.06 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 2kb3 s ARG 134 Cb -0.10 -1.10 0.02 0.00 -0.45 0.00 0.00 34.95 33.31 2kb3 s ARG 134 CO 0.41 -0.22 -0.13 -0.51 -0.68 0.00 0.00 175.30 174.17 2kb3 s LEU 135 N 1.55 1.61 -0.15 2.53 1.02 0.84 0.44 118.68 126.52 2kb3 s LEU 135 Ca -0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 54.13 53.75 2kb3 s LEU 135 Cb -0.13 -0.99 -0.02 0.00 0.02 0.00 0.00 46.19 45.07 2kb3 s LEU 135 CO -0.04 -0.01 -0.09 -0.69 0.02 0.00 0.00 176.35 175.55 2kb3 s VAL 136 N 1.05 3.39 -0.32 -1.59 1.01 -0.09 -0.11 120.40 123.75 2kb3 s VAL 136 Ca -0.06 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2kb3 s VAL 136 Cb -0.15 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2kb3 s VAL 136 CO -0.02 0.50 0.72 0.12 0.00 0.00 0.00 175.10 176.43 2kb3 s PHE 137 N 0.46 3.19 0.04 5.22 5.36 -0.96 -0.93 117.98 130.36 2kb3 s PHE 137 Ca -0.07 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.58 2kb3 s PHE 137 Cb -0.15 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.33 2kb3 s PHE 137 CO 0.04 -0.57 -0.00 -1.17 -1.46 0.00 0.00 175.22 172.06 2kb3 s LEU 138 N 2.84 3.47 0.08 6.12 2.96 0.93 -0.04 118.68 135.04 2kb3 s LEU 138 Ca 0.29 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.80 2kb3 s LEU 138 Cb -0.14 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.41 2kb3 s LEU 138 CO 0.13 0.23 1.14 0.00 -1.32 0.00 0.00 176.35 176.54 2kb3 s ALA 139 N -1.18 3.35 0.08 5.97 0.00 -1.26 -2.02 121.76 126.69 2kb3 s ALA 139 Ca 0.22 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 2kb3 s ALA 139 Cb -0.12 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2kb3 s ALA 139 CO 0.14 -0.36 1.03 0.20 0.00 0.00 0.00 175.76 176.77 2kb3 s GLY 140 N 0.80 2.85 0.59 0.00 0.00 -1.25 -4.77 107.32 105.55 2kb3 s GLY 140 Ca 0.56 0.65 -0.20 0.00 0.00 0.00 0.00 44.72 45.73 2kb3 s GLY 140 CO 0.30 1.66 1.29 -4.14 0.00 0.00 0.00 173.10 172.21 2kb3 s PRO 141 N 0.44 2.90 -1.38 2.90 0.02 -1.26 -3.64 135.00 134.98 2kb3 s PRO 141 Ca 0.51 2.05 -0.12 0.00 0.02 0.00 0.00 61.00 63.46 2kb3 s PRO 141 Cb -0.25 -2.02 0.10 0.00 0.02 0.00 0.00 34.50 32.35 2kb3 s PRO 141 CO 0.30 -1.32 2.08 0.00 -0.33 0.00 0.00 177.00 177.73 2kb3 n ALA 142 N -1.48 5.49 -0.99 -1.55 0.00 -1.26 -4.66 120.51 116.06 2kb3 n ALA 142 Ca 0.13 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.50 2kb3 n ALA 142 Cb 0.47 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.64 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59