#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 6.69 0.26 3.17 0.01 -1.26 -5.02 113.70 117.55 2kb3 s SER 2 Ca 0.00 2.30 0.08 0.00 1.31 0.00 0.00 55.95 59.64 2kb3 s SER 2 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2kb3 s SER 2 CO 0.00 -0.86 0.10 -0.62 0.41 0.00 0.00 173.24 172.27 2kb3 s ASP 3 N 2.61 5.02 -0.06 2.44 2.15 -1.26 -5.04 116.67 122.52 2kb3 s ASP 3 Ca 0.71 -0.46 -0.32 0.00 0.43 0.00 0.00 52.55 52.91 2kb3 s ASP 3 Cb -0.35 -1.11 -0.10 0.00 -0.30 0.00 0.00 42.92 41.05 2kb3 s ASP 3 CO 0.30 -0.02 1.96 -3.20 -0.17 0.00 0.00 175.17 174.04 2kb3 n ASN 4 N -1.04 3.66 -3.94 -0.34 5.15 -1.26 -4.93 115.26 112.56 2kb3 n ASN 4 Ca -0.07 0.85 -0.09 0.00 -0.60 0.00 0.00 54.58 54.67 2kb3 n ASN 4 Cb 0.58 -1.44 -0.09 0.00 -0.53 0.00 0.00 39.78 38.30 2kb3 n ASN 4 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kb3 s ASN 5 N 4.75 0.21 0.24 1.20 2.20 -1.26 -5.12 114.94 117.17 2kb3 s ASN 5 Ca 0.93 -0.60 -0.31 0.00 -0.94 0.00 0.00 52.86 51.94 2kb3 s ASN 5 Cb -0.57 0.23 -0.12 0.00 -2.00 0.00 0.00 41.25 38.78 2kb3 s ASN 5 CO 0.47 -0.53 1.61 0.61 -2.94 0.00 0.00 177.10 176.31 2kb3 n GLY 6 N 0.66 1.29 3.68 0.45 0.00 -1.26 -4.91 105.19 105.09 2kb3 n GLY 6 Ca -0.18 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb3 s THR 7 N 0.48 4.63 0.38 2.61 -1.32 -1.26 -5.00 115.64 116.16 2kb3 s THR 7 Ca 0.70 1.92 -0.26 0.00 -1.21 0.00 0.00 61.69 62.84 2kb3 s THR 7 Cb -0.55 -4.24 -0.09 0.00 -1.51 0.00 0.00 72.50 66.12 2kb3 s THR 7 CO 0.42 -0.03 1.17 -2.84 -2.21 0.00 0.00 174.62 171.13 2kb3 s PRO 8 N 2.31 4.14 0.15 7.08 0.02 -1.26 -5.01 135.00 142.43 2kb3 s PRO 8 Ca 0.50 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 2kb3 s PRO 8 Cb -0.19 -2.75 -0.07 0.00 0.02 0.00 0.00 34.50 31.51 2kb3 s PRO 8 CO 0.17 -0.24 0.93 -1.21 -0.33 0.00 0.00 177.00 176.32 2kb3 s GLU 9 N -2.18 4.73 0.44 5.54 2.02 -1.26 -4.99 118.70 123.00 2kb3 s GLU 9 Ca 0.55 1.43 -0.26 0.00 0.02 0.00 0.00 54.97 56.71 2kb3 s GLU 9 Cb -0.31 -3.34 -0.09 0.00 0.10 0.00 0.00 34.13 30.50 2kb3 s GLU 9 CO 0.39 0.34 1.41 -1.25 0.02 0.00 0.00 175.26 176.17 2kb3 s PRO 10 N -0.45 3.77 0.03 0.39 0.04 -1.26 -5.00 135.00 132.51 2kb3 s PRO 10 Ca 0.44 2.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.71 2kb3 s PRO 10 Cb -0.24 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 2kb3 s PRO 10 CO 0.30 -0.74 0.47 -0.65 0.04 0.00 0.00 177.00 176.42 2kb3 s GLN 11 N -2.38 4.03 -0.19 4.56 -0.21 -1.26 -5.06 119.66 119.15 2kb3 s GLN 11 Ca 0.60 0.53 -0.01 0.00 0.02 0.00 0.00 55.36 56.50 2kb3 s GLN 11 Cb -0.43 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.35 2kb3 s GLN 11 CO 0.56 0.66 -0.12 0.08 -2.12 0.00 0.00 175.29 174.35 2kb3 s VAL 12 N -1.06 2.82 0.09 1.09 1.01 -1.26 -5.03 120.40 118.06 2kb3 s VAL 12 Ca 0.26 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2kb3 s VAL 12 Cb -0.18 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2kb3 s VAL 12 CO 0.15 0.48 -0.07 -1.83 0.00 0.00 0.00 175.10 173.84 2kb3 s GLU 13 N 1.20 0.81 0.00 2.72 1.03 -1.26 -5.19 118.70 118.01 2kb3 s GLU 13 Ca 0.02 -1.25 0.00 0.00 0.03 0.00 0.00 54.97 53.77 2kb3 s GLU 13 Cb -0.14 -0.27 0.00 0.00 -0.80 0.00 0.00 34.13 32.92 2kb3 s GLU 13 CO -0.05 0.01 0.00 2.41 -1.33 0.00 0.00 175.26 176.30 2kb3 n THR 14 N 0.20 0.00 0.00 1.83 -1.04 -1.26 -4.93 114.28 109.08 2kb3 n THR 14 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2kb3 n THR 14 Cb 0.60 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.00 0.00 -4.62 8.00 7.64 -1.26 -5.09 113.62 118.29 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 4.53 0.01 0.44 1.01 -1.26 -4.97 120.40 118.16 2kb3 s VAL 17 Ca 0.00 1.46 0.08 0.00 0.00 0.00 0.00 61.98 63.52 2kb3 s VAL 17 Cb 0.00 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2kb3 s VAL 17 CO 0.00 -0.53 -0.25 0.72 0.00 0.00 0.00 175.10 175.04 2kb3 s PHE 18 N 3.61 2.36 -0.46 5.22 -0.71 -1.26 -5.09 117.98 121.66 2kb3 s PHE 18 Ca 0.42 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 55.94 2kb3 s PHE 18 Cb -0.12 -1.46 0.13 0.00 -1.21 0.00 0.00 43.02 40.36 2kb3 s PHE 18 CO 0.18 0.06 0.23 -0.98 -1.34 0.00 0.00 175.22 173.37 2kb3 s ARG 19 N -0.94 1.52 0.00 1.99 1.70 -1.26 -4.94 118.95 117.03 2kb3 s ARG 19 Ca 0.11 -2.19 0.00 0.00 -0.47 0.00 0.00 55.73 53.18 2kb3 s ARG 19 Cb -0.10 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.57 2kb3 s ARG 19 CO 0.01 -1.13 0.00 0.00 -1.08 0.00 0.00 175.30 173.10 2kb3 n ALA 20 N 3.45 0.00 0.80 7.88 0.00 -1.26 -4.35 120.51 127.03 2kb3 n ALA 20 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 2kb3 n ALA 20 Cb 0.34 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.42 0.24 0.18 0.00 8.00 -1.26 -2.96 116.55 120.33 2kb3 n ASP 21 Ca 0.00 0.53 0.13 0.00 0.71 0.00 0.00 54.79 56.16 2kb3 n ASP 21 Cb 0.00 -0.59 0.64 0.00 -0.02 0.00 0.00 41.12 41.15 2kb3 n ASP 21 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kb3 h LEU 22 N 0.00 0.00 -0.34 0.64 3.38 -1.87 0.48 115.31 117.60 2kb3 h LEU 22 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kb3 h LEU 22 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2kb3 h LEU 22 CO 0.00 0.00 0.14 -0.07 0.09 0.00 0.00 178.44 178.60 2kb3 h LEU 23 N 0.00 0.47 0.06 1.67 3.38 -1.73 -1.34 115.31 117.82 2kb3 h LEU 23 Ca 0.00 -0.16 -0.29 0.00 0.09 0.00 0.00 57.88 57.51 2kb3 h LEU 23 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2kb3 h LEU 23 CO 0.00 0.50 -1.55 0.50 0.09 0.00 0.00 178.44 177.98 2kb3 h LYS 24 N 0.41 0.14 -0.38 1.13 3.64 -1.58 -3.32 116.57 116.61 2kb3 h LYS 24 Ca 0.11 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2kb3 h LYS 24 Cb 0.18 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2kb3 h LYS 24 CO -0.01 0.92 0.25 1.49 -2.27 0.00 0.00 179.45 179.83 2kb3 h GLU 25 N 0.04 0.40 -0.07 1.90 4.57 -0.88 -2.12 114.58 118.42 2kb3 h GLU 25 Ca -0.24 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.92 2kb3 h GLU 25 Cb 1.98 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.47 2kb3 h GLU 25 CO 0.12 0.26 0.02 1.98 -1.18 0.00 0.00 179.01 180.22 2kb3 h MET 26 N 0.41 0.06 0.00 1.92 4.05 -1.34 0.26 114.93 120.29 2kb3 h MET 26 Ca 0.15 -0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.47 2kb3 h MET 26 Cb 0.10 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2kb3 h MET 26 CO -0.04 0.04 -0.45 0.93 0.23 0.00 0.00 176.91 177.62 2kb3 h GLU 27 N 0.06 0.00 0.00 0.39 3.07 -1.61 -0.65 114.58 115.84 2kb3 h GLU 27 Ca 0.03 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 2kb3 h GLU 27 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2kb3 h GLU 27 CO -0.03 0.45 -0.40 0.77 -1.40 0.00 0.00 179.01 178.40 2kb3 h SER 28 N 0.00 0.00 0.81 1.42 0.02 -0.89 -2.97 113.55 111.95 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 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2kb3 h SER 28 CO 0.06 0.40 -0.76 -1.28 -1.14 0.00 0.00 176.83 174.11 2kb3 h SER 29 N 0.00 0.00 -1.79 3.07 0.87 0.27 -3.45 113.55 112.52 2kb3 h SER 29 Ca -0.00 -0.21 -0.49 0.00 -1.23 0.00 0.00 61.79 59.86 2kb3 h SER 29 Cb 1.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2kb3 h SER 29 CO 0.05 0.10 1.54 -0.89 -0.53 0.00 0.00 176.83 177.11 2kb3 s THR 30 N -3.21 3.11 -3.33 2.23 2.01 -0.32 -4.56 115.64 111.57 2kb3 s THR 30 Ca 0.05 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2kb3 s THR 30 Cb 0.13 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.39 2kb3 s THR 30 CO 0.75 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 2kb3 n GLY 31 N 5.88 -0.02 3.35 4.40 0.00 -1.26 -5.04 105.19 112.51 2kb3 n GLY 31 Ca 0.32 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.00 2.66 -0.65 2.61 2.01 -1.26 -5.08 115.64 111.92 2kb3 s THR 32 Ca 0.00 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 2kb3 s THR 32 Cb 0.00 -2.05 0.17 0.00 0.01 0.00 0.00 72.50 70.63 2kb3 s THR 32 CO 0.00 0.56 0.57 0.00 -0.69 0.00 0.00 174.62 175.06 2kb3 s ALA 33 N -0.09 3.76 0.69 7.40 0.00 -1.26 -5.08 121.76 127.17 2kb3 s ALA 33 Ca -0.04 -2.96 -0.11 0.00 0.00 0.00 0.00 51.96 48.86 2kb3 s ALA 33 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2kb3 s ALA 33 CO 0.04 -2.11 1.06 -2.14 0.00 0.00 0.00 175.76 172.61 2kb3 s PRO 34 N 0.73 3.00 0.26 0.00 0.02 -1.26 -4.95 135.00 132.80 2kb3 s PRO 34 Ca 0.12 0.85 0.02 0.00 0.02 0.00 0.00 61.00 62.01 2kb3 s PRO 34 Cb -0.20 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.26 2kb3 s PRO 34 CO -0.03 -1.03 0.07 0.00 -0.33 0.00 0.00 177.00 175.67 2kb3 s ALA 35 N -3.10 1.82 0.25 -1.55 0.00 -1.26 -4.61 121.76 113.31 2kb3 s ALA 35 Ca 0.58 -1.86 0.11 0.00 0.00 0.00 0.00 51.96 50.78 2kb3 s ALA 35 Cb -0.13 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 2kb3 s ALA 35 CO 0.55 -0.39 -0.13 -1.12 0.00 0.00 0.00 175.76 174.67 2kb3 s SER 36 N -3.33 3.97 0.29 0.00 0.01 0.42 -5.00 113.70 110.06 2kb3 s SER 36 Ca 0.35 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2kb3 s SER 36 Cb 0.08 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 2kb3 s SER 36 CO 0.12 0.05 0.55 0.28 0.41 0.00 0.00 173.24 174.65 2kb3 s THR 37 N -2.24 5.03 0.00 1.44 -1.32 -1.26 -4.03 115.64 113.26 2kb3 s THR 37 Ca 0.29 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 2kb3 s THR 37 Cb -0.06 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2kb3 s THR 37 CO 0.16 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 2kb3 n GLY 38 N -0.97 0.92 0.27 6.08 0.00 -1.26 -4.97 105.19 105.26 2kb3 n GLY 38 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.72 0.00 4.61 0.00 -1.89 -2.17 119.26 120.54 2kb3 h ALA 39 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 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 0.66 0.00 -0.85 0.00 0.00 0.00 179.25 179.06 2kb3 n GLU 40 N -4.09 0.21 0.06 0.00 0.28 -1.26 -1.22 120.64 114.62 2kb3 n GLU 40 Ca -0.01 0.13 0.11 0.00 -0.16 0.00 0.00 57.16 57.24 2kb3 n GLU 40 Cb 0.48 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 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 -1.32 0.49 -2.77 -1.84 4.13 -0.83 -5.04 115.26 108.07 2kb3 n ASN 41 Ca 0.08 0.18 -0.02 0.00 1.68 0.00 0.00 54.58 56.50 2kb3 n ASN 41 Cb 0.15 1.11 0.00 0.00 -1.54 0.00 0.00 39.78 39.50 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kb3 n LEU 42 N -2.49 -7.79 0.45 3.41 4.77 -0.36 -4.97 117.00 110.01 2kb3 n LEU 42 Ca -0.02 1.21 -0.19 0.00 -0.03 0.00 0.00 56.01 56.99 2kb3 n LEU 42 Cb 0.56 -3.28 -0.09 0.00 -2.33 0.00 0.00 43.42 38.28 2kb3 n LEU 42 CO 0.43 -2.97 0.54 -0.65 -1.33 0.00 0.00 177.39 173.41 2kb3 h PRO 43 N 2.88 -1.09 0.00 3.23 0.11 -1.82 -3.36 132.00 131.95 2kb3 h PRO 43 Ca -0.01 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2kb3 h PRO 43 Cb 0.25 0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2kb3 h PRO 43 CO 0.12 -0.72 0.00 0.00 -0.21 0.00 0.00 178.00 177.19 2kb3 n ALA 44 N -2.63 1.80 -0.92 -0.75 0.00 -1.22 -4.96 120.51 111.84 2kb3 n ALA 44 Ca -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2kb3 n ALA 44 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.03 0.58 3.25 0.00 0.00 -1.26 -4.82 105.19 102.91 2kb3 n GLY 45 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.08 1.19 0.10 1.61 0.01 -1.26 -4.97 113.70 108.29 2kb3 s SER 46 Ca 0.00 -1.22 -0.15 0.00 1.31 0.00 0.00 55.95 55.89 2kb3 s SER 46 Cb 0.00 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.39 2kb3 s SER 46 CO 0.00 -0.60 0.37 0.00 0.41 0.00 0.00 173.24 173.42 2kb3 s ALA 47 N -3.68 -0.84 0.19 1.44 0.00 -1.26 -3.73 121.76 113.88 2kb3 s ALA 47 Ca 0.27 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.26 2kb3 s ALA 47 Cb 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2kb3 s ALA 47 CO 0.06 -0.58 -0.17 -0.48 0.00 0.00 0.00 175.76 174.59 2kb3 s LEU 48 N -2.64 2.50 -0.03 0.00 -0.00 0.62 -0.17 118.68 118.97 2kb3 s LEU 48 Ca 0.01 -0.95 0.07 0.00 -0.00 0.00 0.00 54.13 53.26 2kb3 s LEU 48 Cb 0.02 -0.77 -0.02 0.00 -0.00 0.00 0.00 46.19 45.42 2kb3 s LEU 48 CO -0.10 -0.09 -0.23 -1.48 -0.00 0.00 0.00 176.35 174.45 2kb3 s LEU 49 N -3.03 2.04 -0.05 1.48 2.34 0.53 -0.21 118.68 121.78 2kb3 s LEU 49 Ca 0.20 -0.43 0.06 0.00 0.06 0.00 0.00 54.13 54.02 2kb3 s LEU 49 Cb -0.03 -1.20 -0.02 0.00 -0.56 0.00 0.00 46.19 44.38 2kb3 s LEU 49 CO 0.07 0.27 -0.23 0.54 -1.06 0.00 0.00 176.35 175.95 2kb3 s VAL 50 N -0.45 2.28 -0.26 1.48 0.11 0.46 -0.12 120.40 123.90 2kb3 s VAL 50 Ca 0.06 -1.00 -0.29 0.00 -2.93 0.00 0.00 61.98 57.82 2kb3 s VAL 50 Cb -0.10 -1.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 2kb3 s VAL 50 CO -0.00 0.57 1.11 -0.69 -3.33 0.00 0.00 175.10 172.77 2kb3 s VAL 51 N -0.37 4.50 -0.13 2.04 1.01 0.09 -0.32 120.40 127.22 2kb3 s VAL 51 Ca 0.03 1.78 0.12 0.00 0.00 0.00 0.00 61.98 63.91 2kb3 s VAL 51 Cb -0.12 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.74 2kb3 s VAL 51 CO 0.02 -0.31 0.33 1.17 0.00 0.00 0.00 175.10 176.31 2kb3 n LYS 52 N 6.66 0.67 -3.78 2.72 3.00 0.12 -0.18 118.16 127.37 2kb3 n LYS 52 Ca 0.13 0.16 -0.13 0.00 -0.00 0.00 0.00 58.31 58.47 2kb3 n LYS 52 Cb 0.46 -1.66 -0.12 0.00 0.00 0.00 0.00 35.03 33.71 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 -2.55 0.23 0.00 1.64 6.06 -0.90 -4.70 118.95 118.74 2kb3 s ARG 53 Ca -0.11 0.34 0.00 0.00 -2.50 0.00 0.00 55.73 53.46 2kb3 s ARG 53 Cb 0.07 0.06 0.00 0.00 0.06 0.00 0.00 34.95 35.14 2kb3 s ARG 53 CO 0.81 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.96 2kb3 n GLY 54 N 3.25 1.23 0.35 8.12 0.00 -1.26 -1.39 105.19 115.49 2kb3 n GLY 54 Ca -0.15 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 43.87 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 0.97 -0.64 1.61 0.11 -1.93 -1.39 132.00 130.73 2kb3 h PRO 55 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2kb3 h PRO 55 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 2kb3 h PRO 55 CO 0.00 0.64 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 2kb3 n ASN 56 N -4.62 2.96 -4.74 -2.05 4.13 -1.26 -4.94 115.26 104.75 2kb3 n ASN 56 Ca 0.17 -2.31 -0.42 0.00 1.68 0.00 0.00 54.58 53.71 2kb3 n ASN 56 Cb 0.30 -0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 38.05 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 57 N -1.76 3.82 0.00 5.41 0.00 -0.53 -1.98 121.76 126.72 2kb3 s ALA 57 Ca 0.28 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2kb3 s ALA 57 Cb 0.19 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kb3 s ALA 57 CO 0.12 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2kb3 n GLY 58 N 3.00 2.93 3.73 0.00 0.00 0.75 -4.96 105.19 110.64 2kb3 n GLY 58 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 3.34 -0.06 4.61 0.00 -0.84 -4.87 121.76 121.36 2kb3 s ALA 59 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.19 2kb3 s ALA 59 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 2kb3 s ALA 59 CO 0.00 -0.04 -0.13 -0.98 0.00 0.00 0.00 175.76 174.61 2kb3 s ARG 60 N 0.48 2.63 -0.08 0.00 1.70 -1.26 -0.73 118.95 121.69 2kb3 s ARG 60 Ca 0.39 -0.66 0.02 0.00 -0.47 0.00 0.00 55.73 55.00 2kb3 s ARG 60 Cb -0.19 -2.45 0.01 0.00 -0.57 0.00 0.00 34.95 31.76 2kb3 s ARG 60 CO 0.20 0.60 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.82 2kb3 s PHE 61 N -0.66 1.75 -0.08 5.89 0.08 0.83 -4.97 117.98 120.82 2kb3 s PHE 61 Ca 0.10 -0.72 -0.22 0.00 0.12 0.00 0.00 56.93 56.21 2kb3 s PHE 61 Cb -0.11 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 2kb3 s PHE 61 CO 0.01 -0.37 0.63 -0.48 -0.10 0.00 0.00 175.22 174.91 2kb3 s LEU 62 N 0.78 4.30 -0.62 -0.37 2.34 -1.26 -0.35 118.68 123.50 2kb3 s LEU 62 Ca -0.12 1.07 -0.26 0.00 0.06 0.00 0.00 54.13 54.88 2kb3 s LEU 62 Cb -0.16 -2.96 0.04 0.00 -0.56 0.00 0.00 46.19 42.55 2kb3 s LEU 62 CO 0.02 -0.08 1.12 -0.76 -1.06 0.00 0.00 176.35 175.59 2kb3 s LEU 63 N 0.74 3.66 0.00 1.48 2.01 0.76 -4.67 118.68 122.66 2kb3 s LEU 63 Ca 0.34 -0.28 0.00 0.00 0.01 0.00 0.00 54.13 54.20 2kb3 s LEU 63 Cb -0.17 -2.84 0.00 0.00 0.01 0.00 0.00 46.19 43.19 2kb3 s LEU 63 CO 0.16 -1.50 0.20 -0.67 1.01 0.00 0.00 176.35 175.55 2kb3 n ASP 64 N 8.32 0.41 -4.67 2.29 2.03 -1.26 -4.09 116.55 119.58 2kb3 n ASP 64 Ca 0.04 -0.70 -0.34 0.00 0.52 0.00 0.00 54.79 54.31 2kb3 n ASP 64 Cb 0.48 0.52 -0.09 0.00 -0.72 0.00 0.00 41.12 41.31 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -0.52 2.85 0.47 -0.67 0.00 -1.26 -5.01 119.66 115.52 2kb3 s GLN 65 Ca 0.00 -0.52 0.15 0.00 -0.00 0.00 0.00 55.36 54.99 2kb3 s GLN 65 Cb 0.00 -2.70 1.13 0.00 0.00 0.00 0.00 33.01 31.44 2kb3 s GLN 65 CO 0.00 0.66 2.05 -1.35 0.00 0.00 0.00 175.29 176.65 2kb3 h PRO 66 N 4.80 0.24 -3.11 9.60 0.11 -1.92 -3.40 132.00 138.32 2kb3 h PRO 66 Ca -0.50 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.32 2kb3 h PRO 66 Cb 1.18 -0.05 -0.35 0.00 0.11 0.00 0.00 31.00 31.89 2kb3 h PRO 66 CO 0.55 0.16 -0.62 0.99 -0.21 0.00 0.00 178.00 178.87 2kb3 s THR 67 N -5.25 -0.23 -0.26 -1.15 2.01 -1.26 -0.79 115.64 108.72 2kb3 s THR 67 Ca -0.07 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 2kb3 s THR 67 Cb 0.18 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.43 2kb3 s THR 67 CO 0.72 0.13 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.86 2kb3 s THR 68 N 2.07 2.99 0.04 -0.82 2.01 0.47 -4.96 115.64 117.44 2kb3 s THR 68 Ca 0.01 -1.08 -0.19 0.00 0.31 0.00 0.00 61.69 60.73 2kb3 s THR 68 Cb -0.12 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 2kb3 s THR 68 CO -0.06 0.12 0.55 0.42 -0.69 0.00 0.00 174.62 174.96 2kb3 s THR 69 N 1.32 4.83 -0.08 -0.82 -4.23 -1.26 0.06 115.64 115.47 2kb3 s THR 69 Ca -0.01 1.16 0.05 0.00 -1.18 0.00 0.00 61.69 61.71 2kb3 s THR 69 Cb -0.17 -3.88 -0.01 0.00 1.34 0.00 0.00 72.50 69.78 2kb3 s THR 69 CO -0.03 0.52 -0.23 0.00 -0.54 0.00 0.00 174.62 174.34 2kb3 s ALA 70 N -0.82 2.24 0.00 3.99 0.00 0.69 -0.03 121.76 127.82 2kb3 s ALA 70 Ca 0.29 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2kb3 s ALA 70 Cb -0.19 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2kb3 s ALA 70 CO 0.17 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2kb3 n GLY 71 N 3.13 -0.46 3.78 0.00 0.00 -1.00 -0.56 105.19 110.07 2kb3 n GLY 71 Ca -0.18 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 2.86 0.10 1.61 1.04 -0.66 -3.38 118.95 118.51 2kb3 s ARG 72 Ca 0.00 -0.77 0.00 0.00 -1.04 0.00 0.00 55.73 53.92 2kb3 s ARG 72 Cb 0.00 -2.68 0.00 0.00 -2.04 0.00 0.00 34.95 30.23 2kb3 s ARG 72 CO 0.00 0.53 0.00 1.58 -0.04 0.00 0.00 175.30 177.37 2kb3 n HIS 73 N 0.17 -0.76 0.00 5.89 -0.00 -1.26 -4.18 115.22 115.08 2kb3 n HIS 73 Ca -0.09 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 2kb3 n HIS 73 Cb 0.53 -1.31 0.00 0.00 -0.00 0.00 0.00 29.99 29.21 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2kb3 n PRO 74 N -1.22 0.00 0.19 1.57 -0.02 -1.26 -0.10 135.00 134.17 2kb3 n PRO 74 Ca 0.00 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 2kb3 n PRO 74 Cb 0.03 -1.70 0.32 0.00 -0.02 0.00 0.00 33.50 32.12 2kb3 n PRO 74 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2kb3 h GLU 75 N 0.00 0.00 -5.37 -0.52 4.11 -1.99 -3.40 114.58 107.41 2kb3 h GLU 75 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.80 2kb3 h GLU 75 Cb 0.41 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 2kb3 h GLU 75 CO 0.00 0.32 0.05 -1.12 0.07 0.00 0.00 179.01 178.33 2kb3 s SER 76 N -6.32 6.39 0.34 3.06 0.01 0.86 -4.77 113.70 113.27 2kb3 s SER 76 Ca 0.01 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.42 2kb3 s SER 76 Cb 0.10 -2.30 0.61 0.00 0.21 0.00 0.00 66.02 64.64 2kb3 s SER 76 CO 0.67 -0.52 1.99 -0.78 0.41 0.00 0.00 173.24 175.02 2kb3 h ASP 77 N 8.41 0.72 -3.32 2.44 3.58 -1.25 -3.32 116.42 123.67 2kb3 h ASP 77 Ca -0.27 -0.03 -0.73 0.00 0.42 0.00 0.00 57.03 56.42 2kb3 h ASP 77 Cb 1.12 -0.18 -0.29 0.00 1.72 0.00 0.00 39.33 41.69 2kb3 h ASP 77 CO 0.80 0.55 -0.38 -0.63 -2.88 0.00 0.00 179.24 176.70 2kb3 s ILE 78 N -5.64 4.24 -0.43 2.25 -1.09 0.96 -4.96 121.20 116.53 2kb3 s ILE 78 Ca -0.10 -1.83 -0.20 0.00 -2.23 0.00 0.00 60.65 56.30 2kb3 s ILE 78 Cb 0.17 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2kb3 s ILE 78 CO 0.77 -0.79 0.58 0.12 -1.23 0.00 0.00 174.94 174.39 2kb3 s PHE 79 N 1.31 3.10 -0.18 3.97 5.36 -1.25 -2.38 117.98 127.91 2kb3 s PHE 79 Ca 0.06 -0.14 -0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2kb3 s PHE 79 Cb -0.26 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 2kb3 s PHE 79 CO -0.01 -0.80 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.29 2kb3 s LEU 80 N 2.60 2.45 -0.31 6.12 1.43 -1.22 -5.03 118.68 124.72 2kb3 s LEU 80 Ca 0.19 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 2kb3 s LEU 80 Cb -0.15 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2kb3 s LEU 80 CO 0.17 0.03 0.51 -0.62 0.23 0.00 0.00 176.35 176.68 2kb3 s ASP 81 N 1.11 6.36 0.00 2.29 2.15 -1.26 -4.77 116.67 122.55 2kb3 s ASP 81 Ca 0.00 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.19 2kb3 s ASP 81 Cb -0.14 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2kb3 s ASP 81 CO -0.05 -0.40 0.00 -0.67 -0.17 0.00 0.00 175.17 173.88 2kb3 n ASP 82 N 5.67 1.94 0.09 -0.34 -0.08 -1.26 -4.70 116.55 117.87 2kb3 n ASP 82 Ca -0.04 -0.51 -0.15 0.00 -1.51 0.00 0.00 54.79 52.57 2kb3 n ASP 82 Cb 0.49 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.85 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 0.51 1.45 -2.28 5.18 2.07 -1.99 -3.41 116.25 117.79 2kb3 h VAL 83 Ca 0.00 -2.81 -0.38 0.00 0.82 0.00 0.00 66.70 64.34 2kb3 h VAL 83 Cb 0.00 2.75 -0.35 0.00 -1.52 0.00 0.00 31.29 32.17 2kb3 h VAL 83 CO 0.00 0.83 -0.67 -0.89 0.02 0.00 0.00 177.57 176.86 2kb3 s THR 84 N -2.89 -0.32 -0.06 2.57 2.01 -1.26 -5.13 115.64 110.56 2kb3 s THR 84 Ca -0.05 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 2kb3 s THR 84 Cb 0.08 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2kb3 s THR 84 CO 0.88 -0.53 0.60 -0.69 -0.69 0.00 0.00 174.62 174.19 2kb3 s VAL 85 N 2.25 5.05 0.59 3.82 1.01 -1.26 -4.98 120.40 126.88 2kb3 s VAL 85 Ca 0.10 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 2kb3 s VAL 85 Cb -0.14 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2kb3 s VAL 85 CO -0.32 0.32 1.02 -0.44 0.00 0.00 0.00 175.10 175.68 2kb3 s SER 86 N 0.45 6.27 0.13 3.32 0.01 -1.26 -4.83 113.70 117.79 2kb3 s SER 86 Ca 0.32 1.51 -0.17 0.00 1.31 0.00 0.00 55.95 58.92 2kb3 s SER 86 Cb -0.17 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2kb3 s SER 86 CO 0.16 -0.84 1.69 0.08 0.41 0.00 0.00 173.24 174.74 2kb3 h ARG 87 N 0.12 0.51 -2.14 12.44 0.11 -1.91 -1.76 114.38 121.74 2kb3 h ARG 87 Ca -0.45 -0.08 -0.33 0.00 0.10 0.00 0.00 59.98 59.22 2kb3 h ARG 87 Cb 1.19 -0.09 -0.33 0.00 1.11 0.00 0.00 29.97 31.85 2kb3 h ARG 87 CO 0.61 0.48 -0.64 1.03 0.10 0.00 0.00 179.97 181.55 2kb3 s ARG 88 N -5.64 0.34 -0.13 0.08 0.52 -1.26 -3.62 118.95 109.24 2kb3 s ARG 88 Ca -0.13 -0.17 -0.28 0.00 -0.52 0.00 0.00 55.73 54.62 2kb3 s ARG 88 Cb 0.09 -0.66 -0.25 0.00 0.52 0.00 0.00 34.95 34.66 2kb3 s ARG 88 CO 0.74 -1.04 0.78 1.25 0.02 0.00 0.00 175.30 177.05 2kb3 h HIS 89 N 8.20 -0.00 -3.32 -0.53 2.76 -1.03 -3.04 115.15 118.19 2kb3 h HIS 89 Ca -0.12 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.02 2kb3 h HIS 89 Cb 1.07 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.92 2kb3 h HIS 89 CO 0.28 0.94 0.01 0.00 -1.30 0.00 0.00 177.93 177.86 2kb3 s ALA 90 N -2.36 -0.96 0.00 5.26 0.00 -1.11 -2.63 121.76 119.96 2kb3 s ALA 90 Ca -0.18 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2kb3 s ALA 90 Cb -0.03 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2kb3 s ALA 90 CO 0.67 -0.75 -0.10 -1.83 0.00 0.00 0.00 175.76 173.75 2kb3 s GLU 91 N -3.85 0.78 -0.33 0.00 -1.05 0.47 -0.23 118.70 114.50 2kb3 s GLU 91 Ca 0.07 -0.42 -0.10 0.00 -0.15 0.00 0.00 54.97 54.36 2kb3 s GLU 91 Cb -0.00 -0.75 0.00 0.00 -0.44 0.00 0.00 34.13 32.94 2kb3 s GLU 91 CO -0.06 0.20 0.18 -0.06 0.95 0.00 0.00 175.26 176.47 2kb3 s PHE 92 N -0.38 3.20 -0.17 4.83 0.08 0.11 -0.56 117.98 125.09 2kb3 s PHE 92 Ca 0.03 -0.64 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 2kb3 s PHE 92 Cb -0.05 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.99 2kb3 s PHE 92 CO -0.00 -0.50 -0.04 1.03 -0.10 0.00 0.00 175.22 175.61 2kb3 s ARG 93 N 1.61 3.59 -0.32 0.44 0.52 0.69 -0.39 118.95 125.08 2kb3 s ARG 93 Ca 0.04 -0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.63 2kb3 s ARG 93 Cb -0.18 -2.93 0.03 0.00 0.52 0.00 0.00 34.95 32.39 2kb3 s ARG 93 CO 0.07 0.13 0.09 0.42 0.02 0.00 0.00 175.30 176.03 2kb3 s ILE 94 N 0.64 3.86 -0.07 1.52 1.09 0.03 -0.53 121.20 127.75 2kb3 s ILE 94 Ca -0.03 -0.94 -0.01 0.00 -1.10 0.00 0.00 60.65 58.57 2kb3 s ILE 94 Cb -0.14 -3.10 0.03 0.00 -1.06 0.00 0.00 42.46 38.18 2kb3 s ILE 94 CO 0.02 -0.06 -0.00 0.20 -0.10 0.00 0.00 174.94 175.00 2kb3 s ASN 95 N 1.45 1.50 -1.46 3.58 -0.87 0.34 -4.62 114.94 114.86 2kb3 s ASN 95 Ca 0.00 -0.09 -0.09 0.00 -1.57 0.00 0.00 52.86 51.12 2kb3 s ASN 95 Cb -0.18 -0.43 0.04 0.00 -0.02 0.00 0.00 41.25 40.65 2kb3 s ASN 95 CO 0.03 -0.18 0.85 1.21 -2.57 0.00 0.00 177.10 176.44 2kb3 n GLU 96 N 5.03 -5.70 -0.99 -0.60 2.13 -1.26 -0.62 120.64 118.62 2kb3 n GLU 96 Ca -0.09 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2kb3 n GLU 96 Cb 0.50 -5.64 0.00 0.00 0.27 0.00 0.00 31.44 26.57 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 -1.65 0.80 3.76 8.31 0.00 -1.26 -5.01 105.19 110.13 2kb3 n GLY 97 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.04 3.12 -0.25 1.61 2.02 0.21 -5.05 118.70 120.32 2kb3 s GLU 98 Ca 0.00 -0.35 -0.04 0.00 0.02 0.00 0.00 54.97 54.59 2kb3 s GLU 98 Cb 0.00 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.32 2kb3 s GLU 98 CO 0.00 0.71 -0.00 -0.06 0.02 0.00 0.00 175.26 175.93 2kb3 s PHE 99 N -1.00 3.06 0.04 1.61 0.40 -1.26 -0.50 117.98 120.32 2kb3 s PHE 99 Ca 0.16 -1.10 0.04 0.00 -0.60 0.00 0.00 56.93 55.44 2kb3 s PHE 99 Cb -0.12 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 2kb3 s PHE 99 CO 0.06 -0.60 -0.13 -1.83 0.70 0.00 0.00 175.22 173.42 2kb3 s GLU 100 N 1.45 0.85 -0.23 0.44 -1.05 0.31 -1.39 118.70 119.07 2kb3 s GLU 100 Ca 0.03 -0.74 -0.08 0.00 -0.15 0.00 0.00 54.97 54.03 2kb3 s GLU 100 Cb -0.16 -0.84 -0.04 0.00 -0.44 0.00 0.00 34.13 32.66 2kb3 s GLU 100 CO -0.01 0.20 0.10 0.08 0.95 0.00 0.00 175.26 176.58 2kb3 s VAL 101 N -0.90 4.72 -0.13 1.83 1.01 0.72 -0.23 120.40 127.42 2kb3 s VAL 101 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2kb3 s VAL 101 Cb -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2kb3 s VAL 101 CO 0.01 0.36 -0.21 -0.69 0.00 0.00 0.00 175.10 174.57 2kb3 s VAL 102 N 1.23 2.20 -0.15 2.92 1.01 0.28 -1.05 120.40 126.83 2kb3 s VAL 102 Ca 0.05 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 2kb3 s VAL 102 Cb -0.14 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2kb3 s VAL 102 CO 0.04 0.55 0.97 -0.62 0.00 0.00 0.00 175.10 176.04 2kb3 s ASP 103 N 0.68 7.14 -0.06 3.32 -1.08 0.17 -0.40 116.67 126.43 2kb3 s ASP 103 Ca -0.10 1.41 0.09 0.00 -0.52 0.00 0.00 52.55 53.43 2kb3 s ASP 103 Cb -0.16 -2.53 0.18 0.00 -1.46 0.00 0.00 42.92 38.95 2kb3 s ASP 103 CO 0.01 -0.50 1.12 1.33 0.52 0.00 0.00 175.17 177.65 2kb3 n VAL 104 N 4.80 1.44 -0.06 1.11 0.24 -1.08 -4.51 118.33 120.27 2kb3 n VAL 104 Ca 0.09 -1.55 -0.06 0.00 -2.04 0.00 0.00 64.34 60.78 2kb3 n VAL 104 Cb 0.48 0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 32.92 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 -0.75 -0.53 5.00 7.63 0.00 -1.15 -4.87 105.19 110.51 2kb3 n GLY 105 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.45 0.00 0.25 1.61 3.41 -1.26 -4.19 113.62 110.98 2kb3 n SER 106 Ca -0.19 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.57 2kb3 n SER 106 Cb 0.86 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 65.27 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kb3 h LEU 107 N 0.00 0.00 0.00 1.04 -0.00 -1.97 -3.23 115.31 111.16 2kb3 h LEU 107 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2kb3 h LEU 107 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kb3 h LEU 107 CO 0.00 0.03 -0.75 -0.55 -0.00 0.00 0.00 178.44 177.17 2kb3 h ASN 108 N 0.00 0.00 -4.96 -0.43 -0.00 -1.93 -3.42 115.58 104.84 2kb3 h ASN 108 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2kb3 h ASN 108 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.06 2kb3 h ASN 108 CO 0.00 0.03 -0.76 0.61 -0.00 0.00 0.00 177.43 177.31 2kb3 n GLY 109 N 1.17 -3.31 3.74 9.14 0.00 -1.22 -4.90 105.19 109.81 2kb3 n GLY 109 Ca 0.01 0.62 -0.40 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.76 4.21 -0.16 2.61 2.01 -1.26 -4.83 115.64 116.45 2kb3 s THR 110 Ca 0.07 2.03 -0.02 0.00 0.31 0.00 0.00 61.69 64.08 2kb3 s THR 110 Cb -0.02 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 2kb3 s THR 110 CO 0.70 0.41 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.63 2kb3 s TYR 111 N -0.65 2.88 -0.07 4.92 2.02 -0.95 -0.94 117.35 124.56 2kb3 s TYR 111 Ca 0.44 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 2kb3 s TYR 111 Cb -0.25 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 2kb3 s TYR 111 CO 0.32 -0.30 -0.18 0.08 -1.57 0.00 0.00 175.55 173.89 2kb3 s VAL 112 N 0.69 2.66 -1.36 0.71 1.01 0.42 -0.55 120.40 123.97 2kb3 s VAL 112 Ca -0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2kb3 s VAL 112 Cb -0.15 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.24 2kb3 s VAL 112 CO 0.02 0.57 0.47 0.59 0.00 0.00 0.00 175.10 176.75 2kb3 n ASN 113 N 2.83 -4.61 -0.43 3.32 5.03 0.01 -0.72 115.26 120.69 2kb3 n ASN 113 Ca -0.17 -0.29 -0.05 0.00 0.87 0.00 0.00 54.58 54.94 2kb3 n ASN 113 Cb 0.52 -3.79 -0.02 0.00 -1.02 0.00 0.00 39.78 35.47 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 -3.73 -1.84 -4.11 3.52 1.74 -0.73 -4.70 116.66 106.81 2kb3 n ARG 114 Ca -0.07 0.63 -0.35 0.00 -0.77 0.00 0.00 57.85 57.29 2kb3 n ARG 114 Cb 0.58 -4.94 -0.09 0.00 -1.02 0.00 0.00 32.46 26.99 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 -2.29 3.62 0.06 5.56 0.41 0.10 -4.92 118.70 121.24 2kb3 s GLU 115 Ca 0.00 -0.34 -0.30 0.00 -0.41 0.00 0.00 54.97 53.92 2kb3 s GLU 115 Cb 0.00 -3.08 -0.09 0.00 -1.78 0.00 0.00 34.13 29.18 2kb3 s GLU 115 CO 0.00 0.47 1.76 -1.25 -0.49 0.00 0.00 175.26 175.75 2kb3 s PRO 116 N -0.19 4.17 0.13 0.39 0.04 -1.26 -0.44 135.00 137.85 2kb3 s PRO 116 Ca 0.07 2.44 -0.02 0.00 0.04 0.00 0.00 61.00 63.53 2kb3 s PRO 116 Cb -0.12 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2kb3 s PRO 116 CO 0.01 -0.82 0.08 1.03 0.04 0.00 0.00 177.00 177.34 2kb3 s ARG 117 N 3.19 0.95 -0.19 4.56 1.81 -0.11 -4.92 118.95 124.23 2kb3 s ARG 117 Ca 0.78 -1.42 0.06 0.00 -1.72 0.00 0.00 55.73 53.43 2kb3 s ARG 117 Cb -0.41 0.25 -0.16 0.00 -0.45 0.00 0.00 34.95 34.18 2kb3 s ARG 117 CO 0.35 -0.27 -0.11 0.09 -0.68 0.00 0.00 175.30 174.68 2kb3 n ASN 118 N -0.11 1.92 -3.72 0.23 4.13 -1.26 -4.07 115.26 112.38 2kb3 n ASN 118 Ca -0.06 -0.08 -0.12 0.00 1.68 0.00 0.00 54.58 56.01 2kb3 n ASN 118 Cb 0.64 0.07 -0.11 0.00 -1.54 0.00 0.00 39.78 38.84 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.41 -0.92 -0.12 5.41 0.00 -1.26 0.42 121.76 122.88 2kb3 s ALA 119 Ca -0.22 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 2kb3 s ALA 119 Cb 0.06 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.50 2kb3 s ALA 119 CO 0.54 -0.21 0.47 -1.14 0.00 0.00 0.00 175.76 175.42 2kb3 s GLN 120 N 0.80 0.65 -0.04 0.00 -0.44 -0.21 -4.99 119.66 115.43 2kb3 s GLN 120 Ca -0.05 0.41 -0.30 0.00 -2.50 0.00 0.00 55.36 52.92 2kb3 s GLN 120 Cb -0.06 0.31 -0.04 0.00 -1.64 0.00 0.00 33.01 31.58 2kb3 s GLN 120 CO -0.06 -0.13 1.22 0.08 0.50 0.00 0.00 175.29 176.91 2kb3 s VAL 121 N -0.30 4.17 -0.10 1.34 1.01 -1.26 -0.20 120.40 125.06 2kb3 s VAL 121 Ca -0.05 1.51 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 2kb3 s VAL 121 Cb -0.03 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2kb3 s VAL 121 CO 0.03 0.01 0.55 0.00 0.00 0.00 0.00 175.10 175.69 2kb3 s MET 122 N 2.14 4.37 0.21 2.72 0.23 -0.49 -4.90 119.30 123.58 2kb3 s MET 122 Ca 0.57 0.60 0.09 0.00 -1.03 0.00 0.00 55.69 55.92 2kb3 s MET 122 Cb -0.26 -3.43 -0.04 0.00 -1.53 0.00 0.00 34.83 29.56 2kb3 s MET 122 CO 0.23 0.14 -0.06 -1.14 -2.03 0.00 0.00 175.02 172.16 2kb3 s GLN 123 N 0.64 2.16 0.03 3.16 0.74 -1.26 -4.75 119.66 120.37 2kb3 s GLN 123 Ca 0.30 -1.32 -0.30 0.00 0.05 0.00 0.00 55.36 54.09 2kb3 s GLN 123 Cb -0.16 -2.17 -0.07 0.00 1.10 0.00 0.00 33.01 31.71 2kb3 s GLN 123 CO 0.13 0.41 1.54 -0.08 -0.55 0.00 0.00 175.29 176.74 2kb3 s THR 124 N -1.93 3.38 0.00 -0.34 -1.32 -1.26 -1.52 115.64 112.64 2kb3 s THR 124 Ca 0.27 0.77 0.00 0.00 -1.21 0.00 0.00 61.69 61.52 2kb3 s THR 124 Cb -0.08 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 2kb3 s THR 124 CO 0.17 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 2kb3 n GLY 125 N 3.85 0.53 3.83 6.08 0.00 0.17 -0.44 105.19 119.21 2kb3 n GLY 125 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2kb3 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb3 s ASP 126 N -2.99 6.80 -0.14 1.61 -1.08 -0.58 -4.48 116.67 115.82 2kb3 s ASP 126 Ca 0.00 1.64 0.02 0.00 -0.52 0.00 0.00 52.55 53.69 2kb3 s ASP 126 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2kb3 s ASP 126 CO 0.00 -0.46 -0.20 -1.61 0.52 0.00 0.00 175.17 173.42 2kb3 s GLU 127 N -3.55 3.09 -0.16 4.34 2.02 -1.26 -0.99 118.70 122.19 2kb3 s GLU 127 Ca 0.61 -0.82 -0.04 0.00 0.02 0.00 0.00 54.97 54.74 2kb3 s GLU 127 Cb -0.09 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 2kb3 s GLU 127 CO 0.21 0.03 -0.04 0.42 0.02 0.00 0.00 175.26 175.89 2kb3 s ILE 128 N 0.74 3.85 -0.20 -1.63 1.09 0.76 -0.81 121.20 124.99 2kb3 s ILE 128 Ca -0.08 -0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 59.05 2kb3 s ILE 128 Cb -0.16 -2.68 -0.02 0.00 -1.06 0.00 0.00 42.46 38.54 2kb3 s ILE 128 CO 0.00 0.49 -0.02 -1.58 -0.10 0.00 0.00 174.94 173.73 2kb3 s GLN 129 N 0.40 3.52 -0.28 2.79 2.00 0.28 -0.04 119.66 128.33 2kb3 s GLN 129 Ca -0.04 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 52.75 2kb3 s GLN 129 Cb -0.14 -3.03 0.08 0.00 0.80 0.00 0.00 33.01 30.72 2kb3 s GLN 129 CO 0.03 -0.06 0.04 0.42 -0.50 0.00 0.00 175.29 175.22 2kb3 s ILE 130 N 1.15 1.22 0.00 -2.34 1.01 -0.14 -2.25 121.20 119.85 2kb3 s ILE 130 Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.30 2kb3 s ILE 130 Cb -0.15 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2kb3 s ILE 130 CO 0.00 -0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.11 2kb3 n GLY 131 N 4.74 2.95 0.81 6.18 0.00 -1.26 -0.73 105.19 117.87 2kb3 n GLY 131 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 9.51 2.15 -3.01 1.61 -0.00 -1.26 -4.79 118.16 122.37 2kb3 n LYS 132 Ca 0.00 -1.95 -0.40 0.00 -0.00 0.00 0.00 58.31 55.96 2kb3 n LYS 132 Cb 0.00 -1.36 -0.05 0.00 -0.00 0.00 0.00 35.03 33.62 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2kb3 s PHE 133 N -1.15 3.69 -0.23 5.58 0.40 0.09 -4.49 117.98 121.86 2kb3 s PHE 133 Ca 0.28 1.40 -0.05 0.00 -0.60 0.00 0.00 56.93 57.96 2kb3 s PHE 133 Cb 0.16 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 2kb3 s PHE 133 CO 0.22 0.22 -0.01 0.50 0.70 0.00 0.00 175.22 176.85 2kb3 s ARG 134 N 0.20 3.36 -0.05 0.44 6.06 -0.49 -0.97 118.95 127.52 2kb3 s ARG 134 Ca 0.38 -0.64 0.04 0.00 -2.50 0.00 0.00 55.73 53.01 2kb3 s ARG 134 Cb -0.20 -3.10 -0.02 0.00 0.06 0.00 0.00 34.95 31.69 2kb3 s ARG 134 CO 0.21 -0.23 -0.16 -0.51 -2.50 0.00 0.00 175.30 172.12 2kb3 s LEU 135 N 1.50 2.65 -0.16 -0.88 1.43 0.94 0.16 118.68 124.32 2kb3 s LEU 135 Ca 0.05 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2kb3 s LEU 135 Cb -0.15 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2kb3 s LEU 135 CO -0.02 0.34 -0.16 -0.69 0.23 0.00 0.00 176.35 176.05 2kb3 s VAL 136 N -0.70 2.52 -0.16 -1.59 1.01 0.56 -0.17 120.40 121.87 2kb3 s VAL 136 Ca 0.11 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2kb3 s VAL 136 Cb -0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2kb3 s VAL 136 CO 0.00 0.52 0.45 0.12 0.00 0.00 0.00 175.10 176.19 2kb3 s PHE 137 N 0.94 3.45 -0.05 5.22 5.36 -0.16 -0.41 117.98 132.33 2kb3 s PHE 137 Ca -0.03 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 56.73 2kb3 s PHE 137 Cb -0.15 -2.55 0.02 0.00 -0.34 0.00 0.00 43.02 39.99 2kb3 s PHE 137 CO -0.03 0.08 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.21 2kb3 s LEU 138 N 0.98 1.54 -0.25 6.12 1.43 0.71 0.42 118.68 129.62 2kb3 s LEU 138 Ca 0.23 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 2kb3 s LEU 138 Cb -0.15 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 2kb3 s LEU 138 CO 0.09 0.00 0.15 0.00 0.23 0.00 0.00 176.35 176.83 2kb3 s ALA 139 N 0.69 3.51 0.00 4.21 0.00 -1.26 -0.28 121.76 128.63 2kb3 s ALA 139 Ca -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2kb3 s ALA 139 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2kb3 s ALA 139 CO 0.02 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2kb3 n GLY 140 N 4.61 3.79 3.77 0.00 0.00 -1.24 -4.86 105.19 111.25 2kb3 n GLY 140 Ca -0.15 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 2kb3 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb3 s PRO 141 N 3.75 3.73 0.00 1.61 0.02 -1.26 -3.40 135.00 139.44 2kb3 s PRO 141 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2kb3 s PRO 141 Cb 0.00 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 32.15 2kb3 s PRO 141 CO 0.00 -0.57 0.00 0.00 -0.33 0.00 0.00 177.00 176.10 2kb3 n ALA 142 N -0.55 0.00 0.01 -1.55 0.00 -1.26 -4.91 120.51 112.25 2kb3 n ALA 142 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kb3 n ALA 142 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59