#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 1.57 -1.35 7.83 3.41 -1.26 -4.73 113.62 119.09 2kb3 n SER 2 Ca 0.00 -2.44 0.08 0.00 -0.26 0.00 0.00 58.87 56.25 2kb3 n SER 2 Cb 0.00 -0.25 0.32 0.00 -0.26 0.00 0.00 64.21 64.02 2kb3 n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kb3 n ASP 3 N -0.81 4.56 -4.73 4.04 9.92 -1.26 -4.93 116.55 123.34 2kb3 n ASP 3 Ca 0.08 -2.69 -0.41 0.00 -0.53 0.00 0.00 54.79 51.24 2kb3 n ASP 3 Cb 0.56 -0.56 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 2kb3 n ASP 3 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2kb3 s ASN 4 N -1.20 7.50 -0.25 -2.24 -0.87 -1.26 -4.93 114.94 111.69 2kb3 s ASN 4 Ca 0.46 1.87 -0.34 0.00 -1.57 0.00 0.00 52.86 53.28 2kb3 s ASN 4 Cb 0.33 -2.60 -0.11 0.00 -0.02 0.00 0.00 41.25 38.86 2kb3 s ASN 4 CO 0.17 -0.04 2.08 0.59 -2.57 0.00 0.00 177.10 177.33 2kb3 n ASN 5 N 2.46 2.70 -3.65 -1.22 4.13 -1.26 -4.82 115.26 113.61 2kb3 n ASN 5 Ca 0.01 0.57 -0.41 0.00 1.68 0.00 0.00 54.58 56.43 2kb3 n ASN 5 Cb 0.48 -1.34 -0.01 0.00 -1.54 0.00 0.00 39.78 37.38 2kb3 n ASN 5 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb3 n GLY 6 N 5.68 4.14 3.70 7.41 0.00 -1.26 -4.92 105.19 119.94 2kb3 n GLY 6 Ca 0.33 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 3.30 4.99 0.22 2.61 -1.32 -1.26 -5.02 115.64 119.15 2kb3 s THR 7 Ca 0.51 1.52 -0.31 0.00 -1.21 0.00 0.00 61.69 62.20 2kb3 s THR 7 Cb 0.14 -4.08 -0.11 0.00 -1.51 0.00 0.00 72.50 66.95 2kb3 s THR 7 CO -0.06 0.17 1.60 -2.84 -2.21 0.00 0.00 174.62 171.28 2kb3 s PRO 8 N 1.27 4.18 -0.13 7.08 0.02 -1.26 -5.00 135.00 141.16 2kb3 s PRO 8 Ca 0.38 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.88 2kb3 s PRO 8 Cb -0.18 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 2kb3 s PRO 8 CO 0.17 -0.62 -0.15 -1.21 -0.33 0.00 0.00 177.00 174.85 2kb3 s GLU 9 N 0.52 3.29 -0.36 5.54 0.41 -1.26 -5.06 118.70 121.79 2kb3 s GLU 9 Ca 0.68 -0.73 -0.28 0.00 -0.41 0.00 0.00 54.97 54.23 2kb3 s GLU 9 Cb -0.46 -2.58 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 2kb3 s GLU 9 CO 0.37 0.16 1.92 -2.14 -0.49 0.00 0.00 175.26 175.08 2kb3 s PRO 10 N 0.47 3.13 0.21 0.39 0.02 -1.26 -4.95 135.00 133.01 2kb3 s PRO 10 Ca -0.11 1.43 0.04 0.00 0.02 0.00 0.00 61.00 62.38 2kb3 s PRO 10 Cb -0.16 -4.28 -0.05 0.00 0.02 0.00 0.00 34.50 30.03 2kb3 s PRO 10 CO 0.05 -2.10 -0.03 -0.65 -0.33 0.00 0.00 177.00 173.94 2kb3 s GLN 11 N 6.11 1.27 -0.24 5.54 -0.21 -1.26 -5.12 119.66 125.76 2kb3 s GLN 11 Ca 0.83 -1.62 -0.06 0.00 0.02 0.00 0.00 55.36 54.53 2kb3 s GLN 11 Cb -0.23 -0.63 -0.02 0.00 1.00 0.00 0.00 33.01 33.13 2kb3 s GLN 11 CO 0.32 -0.05 0.02 0.08 -2.12 0.00 0.00 175.29 173.55 2kb3 s VAL 12 N -3.39 3.95 0.08 1.09 1.01 -1.26 -5.07 120.40 116.81 2kb3 s VAL 12 Ca 0.25 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2kb3 s VAL 12 Cb 0.05 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2kb3 s VAL 12 CO 0.07 0.37 -0.20 -0.70 0.00 0.00 0.00 175.10 174.64 2kb3 s GLU 13 N 1.53 1.16 0.26 2.72 2.56 -1.26 -5.22 118.70 120.46 2kb3 s GLU 13 Ca 0.06 -1.06 0.03 0.00 0.00 0.00 0.00 54.97 53.99 2kb3 s GLU 13 Cb -0.15 -1.35 -0.05 0.00 2.00 0.00 0.00 34.13 34.57 2kb3 s GLU 13 CO 0.01 0.32 0.05 0.99 -0.56 0.00 0.00 175.26 176.07 2kb3 s THR 14 N -1.05 0.90 -0.20 -1.70 2.01 -1.26 -5.16 115.64 109.18 2kb3 s THR 14 Ca 0.06 -2.01 -0.13 0.00 0.31 0.00 0.00 61.69 59.92 2kb3 s THR 14 Cb -0.10 -2.56 0.06 0.00 0.01 0.00 0.00 72.50 69.91 2kb3 s THR 14 CO 0.03 -0.13 0.49 -0.55 -0.69 0.00 0.00 174.62 173.78 2kb3 s SER 16 N -3.35 -0.61 -0.18 3.53 0.15 -0.10 -4.01 113.70 109.13 2kb3 s SER 16 Ca 0.34 1.05 -0.26 0.00 0.70 0.00 0.00 55.95 57.78 2kb3 s SER 16 Cb 0.07 0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 65.34 2kb3 s SER 16 CO 0.12 -0.20 0.87 -0.69 1.20 0.00 0.00 173.24 174.54 2kb3 s VAL 17 N 1.15 4.84 -0.04 4.45 1.01 -1.26 -4.75 120.40 125.79 2kb3 s VAL 17 Ca -0.07 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.66 2kb3 s VAL 17 Cb -0.06 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2kb3 s VAL 17 CO -0.11 -0.01 -0.17 0.72 0.00 0.00 0.00 175.10 175.53 2kb3 s PHE 18 N 2.35 2.62 -0.29 5.22 -0.71 -1.26 -5.09 117.98 120.83 2kb3 s PHE 18 Ca 0.39 -0.22 -0.22 0.00 -1.04 0.00 0.00 56.93 55.84 2kb3 s PHE 18 Cb -0.16 -1.60 -0.01 0.00 -1.21 0.00 0.00 43.02 40.04 2kb3 s PHE 18 CO 0.11 0.14 0.71 0.50 -1.34 0.00 0.00 175.22 175.34 2kb3 s ARG 19 N -0.70 4.00 0.31 1.99 6.06 -1.26 -5.03 118.95 124.33 2kb3 s ARG 19 Ca 0.11 0.53 0.04 0.00 -2.50 0.00 0.00 55.73 53.90 2kb3 s ARG 19 Cb -0.11 -3.70 -0.06 0.00 0.06 0.00 0.00 34.95 31.14 2kb3 s ARG 19 CO 0.00 -0.56 0.06 0.00 -2.50 0.00 0.00 175.30 172.30 2kb3 s ALA 20 N 2.73 2.28 -2.06 6.12 0.00 -1.26 -5.03 121.76 124.53 2kb3 s ALA 20 Ca 0.29 -2.03 0.12 0.00 0.00 0.00 0.00 51.96 50.34 2kb3 s ALA 20 Cb -0.15 0.70 0.43 0.00 0.00 0.00 0.00 23.12 24.09 2kb3 s ALA 20 CO 0.11 -0.32 1.32 -0.40 0.00 0.00 0.00 175.76 176.47 2kb3 n ASP 21 N -0.65 1.37 0.00 0.00 5.75 -1.26 -4.42 116.55 117.34 2kb3 n ASP 21 Ca -0.02 -1.89 0.01 0.00 -0.01 0.00 0.00 54.79 52.88 2kb3 n ASP 21 Cb 0.66 -0.15 0.05 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.21 0.00 -0.37 -2.12 -0.00 -1.26 -2.66 117.00 110.80 2kb3 n LEU 22 Ca 0.11 0.24 -0.01 0.00 -0.00 0.00 0.00 56.01 56.34 2kb3 n LEU 22 Cb 0.24 -0.24 0.12 0.00 -0.00 0.00 0.00 43.42 43.54 2kb3 n LEU 22 CO 0.08 -0.22 1.28 0.25 -0.00 0.00 0.00 177.39 178.78 2kb3 h LEU 23 N 0.00 1.10 -1.68 1.47 7.12 -1.95 -1.13 115.31 120.25 2kb3 h LEU 23 Ca 0.00 -0.02 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 2kb3 h LEU 23 Cb 0.02 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 2kb3 h LEU 23 CO 0.00 0.78 -0.19 0.11 -0.13 0.00 0.00 178.44 179.01 2kb3 h LYS 24 N 1.29 0.00 -0.05 1.25 1.57 -1.90 -2.62 116.57 116.10 2kb3 h LYS 24 Ca 0.37 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 2kb3 h LYS 24 Cb -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2kb3 h LYS 24 CO -0.10 0.19 -0.04 0.93 -0.57 0.00 0.00 179.45 179.87 2kb3 h GLU 25 N 0.00 0.12 0.00 3.15 4.39 -1.43 0.33 114.58 121.14 2kb3 h GLU 25 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kb3 h GLU 25 Cb 0.40 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2kb3 h GLU 25 CO 0.02 0.54 0.00 0.00 -1.16 0.00 0.00 179.01 178.42 2kb3 h MET 26 N -0.29 0.00 0.00 2.33 -0.00 -1.25 -1.43 114.93 114.29 2kb3 h MET 26 Ca 0.01 0.00 -0.46 0.00 -0.00 0.00 0.00 59.70 59.25 2kb3 h MET 26 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.04 2kb3 h MET 26 CO 0.01 0.00 -2.53 -1.91 -0.00 0.00 0.00 176.91 172.48 2kb3 n GLU 27 N -2.77 0.59 -0.07 -0.10 2.13 -1.01 -4.47 120.64 114.94 2kb3 n GLU 27 Ca 0.01 0.26 -0.04 0.00 0.66 0.00 0.00 57.16 58.04 2kb3 n GLU 27 Cb 0.25 -1.49 -0.15 0.00 0.27 0.00 0.00 31.44 30.32 2kb3 n GLU 27 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2kb3 n SER 28 N -4.25 0.51 0.22 4.31 7.64 0.12 -4.10 113.62 118.06 2kb3 n SER 28 Ca -0.54 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.45 2kb3 n SER 28 Cb 0.88 1.18 0.31 0.00 -1.01 0.00 0.00 64.21 65.57 2kb3 n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kb3 h SER 29 N 0.00 0.00 -2.75 6.43 0.02 -1.24 -3.41 113.55 112.59 2kb3 h SER 29 Ca -0.38 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.02 2kb3 h SER 29 Cb 1.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.35 2kb3 h SER 29 CO 0.02 0.14 1.02 -0.89 -1.14 0.00 0.00 176.83 175.97 2kb3 s THR 30 N -3.35 3.88 0.00 -2.27 2.01 -1.10 -3.33 115.64 111.48 2kb3 s THR 30 Ca 0.04 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.09 2kb3 s THR 30 Cb 0.07 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2kb3 s THR 30 CO 0.65 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 2kb3 n GLY 31 N 3.96 1.87 3.67 4.40 0.00 -1.26 -4.93 105.19 112.91 2kb3 n GLY 31 Ca 0.16 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.51 0.45 2.61 2.01 -1.21 -5.03 115.64 118.97 2kb3 s THR 32 Ca 0.00 1.81 -0.11 0.00 0.31 0.00 0.00 61.69 63.70 2kb3 s THR 32 Cb 0.00 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2kb3 s THR 32 CO 0.00 -0.10 0.83 0.00 -0.69 0.00 0.00 174.62 174.67 2kb3 s ALA 33 N 2.85 3.28 0.88 7.40 0.00 -1.26 -5.03 121.76 129.88 2kb3 s ALA 33 Ca 0.50 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 2kb3 s ALA 33 Cb -0.19 -2.80 0.10 0.00 0.00 0.00 0.00 23.12 20.22 2kb3 s ALA 33 CO 0.14 -0.13 0.99 -0.35 0.00 0.00 0.00 175.76 176.41 2kb3 n PRO 34 N -1.55 -0.18 -2.29 0.00 -0.04 -1.26 -4.99 135.00 124.68 2kb3 n PRO 34 Ca 0.03 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 2kb3 n PRO 34 Cb 0.54 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 s ALA 35 N -2.39 3.15 -0.07 0.55 0.00 -0.34 -5.01 121.76 117.65 2kb3 s ALA 35 Ca 0.67 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2kb3 s ALA 35 Cb -0.25 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2kb3 s ALA 35 CO 0.57 -0.37 -0.22 0.45 0.00 0.00 0.00 175.76 176.19 2kb3 s SER 36 N -3.56 3.35 0.11 0.00 0.15 -1.26 -4.50 113.70 107.99 2kb3 s SER 36 Ca 0.55 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.70 2kb3 s SER 36 Cb -0.10 -1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 2kb3 s SER 36 CO 0.40 0.24 0.15 0.42 1.20 0.00 0.00 173.24 175.65 2kb3 s THR 37 N -0.11 0.13 -0.57 6.45 -4.23 -1.26 -5.03 115.64 111.02 2kb3 s THR 37 Ca -0.04 -1.50 0.16 0.00 -1.18 0.00 0.00 61.69 59.12 2kb3 s THR 37 Cb -0.14 -1.65 0.79 0.00 1.34 0.00 0.00 72.50 72.85 2kb3 s THR 37 CO 0.04 -0.59 1.71 0.61 -0.54 0.00 0.00 174.62 175.86 2kb3 n GLY 38 N -0.08 2.90 0.83 3.99 0.00 -1.26 -4.23 105.19 107.35 2kb3 n GLY 38 Ca -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.07 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N 0.82 2.54 1.33 4.61 0.00 -1.26 -4.35 120.51 124.20 2kb3 n ALA 39 Ca 0.27 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 53.01 2kb3 n ALA 39 Cb 1.10 -0.98 0.40 0.00 0.00 0.00 0.00 19.45 19.97 2kb3 n ALA 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kb3 n GLU 40 N 0.67 0.66 0.00 0.00 1.02 -1.26 -0.67 120.64 121.06 2kb3 n GLU 40 Ca 0.14 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 2kb3 n GLU 40 Cb 0.41 -1.32 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 2kb3 n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kb3 n ASN 41 N -0.82 0.37 -2.82 1.62 5.15 -1.26 -4.98 115.26 112.51 2kb3 n ASN 41 Ca 0.10 -0.28 -0.05 0.00 -0.60 0.00 0.00 54.58 53.75 2kb3 n ASN 41 Cb 0.05 1.55 0.01 0.00 -0.53 0.00 0.00 39.78 40.85 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 -2.04 -7.62 0.09 1.20 7.99 0.15 -4.82 117.00 111.96 2kb3 n LEU 42 Ca -0.01 0.98 -0.12 0.00 -0.01 0.00 0.00 56.01 56.85 2kb3 n LEU 42 Cb 0.49 -3.24 -0.05 0.00 -0.11 0.00 0.00 43.42 40.51 2kb3 n LEU 42 CO 0.44 -2.70 0.70 1.55 -1.51 0.00 0.00 177.39 175.88 2kb3 h PRO 43 N 2.64 -0.41 -0.02 3.23 0.13 -1.88 -1.41 132.00 134.27 2kb3 h PRO 43 Ca -0.02 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2kb3 h PRO 43 Cb 0.49 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2kb3 h PRO 43 CO 0.14 -0.27 0.00 0.00 -0.23 0.00 0.00 178.00 177.64 2kb3 n ALA 44 N -2.60 2.62 -1.02 -0.56 0.00 -1.26 -4.88 120.51 112.80 2kb3 n ALA 44 Ca -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2kb3 n ALA 44 Cb 0.28 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 2kb3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 45 N 1.08 0.35 3.30 0.00 0.00 -0.53 -4.99 105.19 104.39 2kb3 n GLY 45 Ca 0.20 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.07 2.67 0.06 1.61 0.01 -1.26 -4.83 113.70 109.88 2kb3 s SER 46 Ca 0.00 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.51 2kb3 s SER 46 Cb 0.00 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 2kb3 s SER 46 CO 0.00 0.09 0.14 0.00 0.41 0.00 0.00 173.24 173.88 2kb3 s ALA 47 N -1.11 -0.13 0.07 1.44 0.00 -1.06 -3.57 121.76 117.39 2kb3 s ALA 47 Ca 0.08 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2kb3 s ALA 47 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2kb3 s ALA 47 CO 0.04 -0.41 -0.07 -0.48 0.00 0.00 0.00 175.76 174.85 2kb3 s LEU 48 N -2.49 2.39 -0.06 0.00 0.05 0.20 0.03 118.68 118.79 2kb3 s LEU 48 Ca 0.00 -0.79 0.06 0.00 0.05 0.00 0.00 54.13 53.45 2kb3 s LEU 48 Cb 0.02 -0.07 -0.01 0.00 -2.05 0.00 0.00 46.19 44.08 2kb3 s LEU 48 CO -0.08 -0.36 -0.24 -1.48 -0.55 0.00 0.00 176.35 173.64 2kb3 s LEU 49 N -2.34 2.10 -0.10 1.48 0.05 0.41 -0.84 118.68 119.43 2kb3 s LEU 49 Ca 0.01 -0.51 0.02 0.00 0.05 0.00 0.00 54.13 53.70 2kb3 s LEU 49 Cb -0.02 -1.39 -0.01 0.00 -2.05 0.00 0.00 46.19 42.72 2kb3 s LEU 49 CO -0.03 0.23 -0.17 0.54 -0.55 0.00 0.00 176.35 176.37 2kb3 s VAL 50 N -0.09 2.72 -0.28 1.48 0.11 0.28 -0.20 120.40 124.42 2kb3 s VAL 50 Ca -0.06 -0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 57.93 2kb3 s VAL 50 Cb -0.14 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 2kb3 s VAL 50 CO 0.04 0.55 0.91 -0.69 -3.33 0.00 0.00 175.10 172.58 2kb3 s VAL 51 N 0.06 4.73 -0.11 2.04 1.01 -0.02 -0.25 120.40 127.86 2kb3 s VAL 51 Ca -0.07 1.57 0.12 0.00 0.00 0.00 0.00 61.98 63.59 2kb3 s VAL 51 Cb -0.15 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.77 2kb3 s VAL 51 CO 0.05 -0.23 0.40 0.29 0.00 0.00 0.00 175.10 175.61 2kb3 n LYS 52 N 6.30 0.66 -3.99 2.72 4.76 0.59 -0.17 118.16 129.03 2kb3 n LYS 52 Ca 0.07 0.19 -0.15 0.00 -2.87 0.00 0.00 58.31 55.56 2kb3 n LYS 52 Cb 0.47 -1.69 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2kb3 s ARG 53 N -2.56 0.25 0.00 1.97 3.52 -0.82 -4.74 118.95 116.58 2kb3 s ARG 53 Ca -0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2kb3 s ARG 53 Cb 0.07 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.15 2kb3 s ARG 53 CO 0.81 -0.00 0.00 0.41 -0.81 0.00 0.00 175.30 175.70 2kb3 n GLY 54 N 3.38 1.60 0.19 8.12 0.00 -1.26 -2.15 105.19 115.07 2kb3 n GLY 54 Ca -0.17 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 0.27 -0.72 1.61 0.11 -2.00 -2.77 132.00 128.50 2kb3 h PRO 55 Ca 0.00 -0.14 -0.17 0.00 0.11 0.00 0.00 66.00 65.80 2kb3 h PRO 55 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 2kb3 h PRO 55 CO 0.00 0.68 0.22 0.27 -0.21 0.00 0.00 178.00 178.95 2kb3 n ASN 56 N -3.99 5.06 -4.76 -2.05 6.94 -1.26 -4.98 115.26 110.21 2kb3 n ASN 56 Ca -0.02 -3.14 -0.39 0.00 -0.02 0.00 0.00 54.58 51.01 2kb3 n ASN 56 Cb 0.51 -0.74 0.01 0.00 -2.36 0.00 0.00 39.78 37.21 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.91 3.18 0.00 -2.53 0.00 -1.05 -2.69 121.76 115.75 2kb3 s ALA 57 Ca 0.55 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2kb3 s ALA 57 Cb 0.43 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2kb3 s ALA 57 CO 0.14 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.25 2kb3 n GLY 58 N 0.62 2.78 3.84 0.00 0.00 0.77 -4.99 105.19 108.21 2kb3 n GLY 58 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.71 3.41 -0.02 4.61 0.00 -1.09 -4.87 121.76 121.09 2kb3 s ALA 59 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.05 2kb3 s ALA 59 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 2kb3 s ALA 59 CO 0.00 0.36 -0.20 -0.98 0.00 0.00 0.00 175.76 174.94 2kb3 s ARG 60 N -2.48 1.70 -0.06 0.00 1.70 -1.26 -0.84 118.95 117.71 2kb3 s ARG 60 Ca 0.47 -0.72 0.05 0.00 -0.47 0.00 0.00 55.73 55.07 2kb3 s ARG 60 Cb -0.13 -1.61 -0.01 0.00 -0.57 0.00 0.00 34.95 32.63 2kb3 s ARG 60 CO 0.19 0.41 -0.23 -0.06 -1.08 0.00 0.00 175.30 174.54 2kb3 s PHE 61 N -0.40 2.23 -0.19 5.89 0.08 0.72 -4.95 117.98 121.36 2kb3 s PHE 61 Ca 0.06 -0.69 -0.07 0.00 0.12 0.00 0.00 56.93 56.35 2kb3 s PHE 61 Cb -0.08 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 2kb3 s PHE 61 CO -0.00 -0.22 0.06 -1.17 -0.10 0.00 0.00 175.22 173.78 2kb3 s LEU 62 N -0.05 3.74 -0.41 -0.37 0.20 -1.26 -0.44 118.68 120.08 2kb3 s LEU 62 Ca -0.05 0.03 -0.12 0.00 0.69 0.00 0.00 54.13 54.68 2kb3 s LEU 62 Cb -0.14 -1.95 0.05 0.00 -0.43 0.00 0.00 46.19 43.73 2kb3 s LEU 62 CO 0.04 0.15 0.27 -0.76 -0.29 0.00 0.00 176.35 175.76 2kb3 s LEU 63 N 0.54 5.09 0.00 -0.68 1.43 0.10 -4.75 118.68 120.41 2kb3 s LEU 63 Ca 0.03 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2kb3 s LEU 63 Cb -0.13 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2kb3 s LEU 63 CO 0.01 -0.49 0.70 -0.67 0.23 0.00 0.00 176.35 176.12 2kb3 n ASP 64 N 5.04 0.00 -4.44 2.29 2.03 -1.26 -2.57 116.55 117.64 2kb3 n ASP 64 Ca -0.11 -1.48 -0.29 0.00 0.52 0.00 0.00 54.79 53.42 2kb3 n ASP 64 Cb 0.45 -0.10 -0.12 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.00 1.60 0.51 -0.67 0.00 -1.26 -5.03 119.66 114.81 2kb3 s GLN 65 Ca 0.00 -1.26 0.23 0.00 -0.00 0.00 0.00 55.36 54.33 2kb3 s GLN 65 Cb 0.00 -2.01 1.33 0.00 0.00 0.00 0.00 33.01 32.33 2kb3 s GLN 65 CO 0.00 0.47 2.00 -1.35 0.00 0.00 0.00 175.29 176.41 2kb3 h PRO 66 N 3.83 0.07 -2.82 9.60 0.11 -1.94 -3.33 132.00 137.52 2kb3 h PRO 66 Ca -0.50 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 2kb3 h PRO 66 Cb 1.17 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 31.99 2kb3 h PRO 66 CO 0.43 0.04 -0.37 0.99 -0.21 0.00 0.00 178.00 178.88 2kb3 s THR 67 N -5.08 -0.03 -0.15 -1.15 2.01 -1.26 -1.33 115.64 108.65 2kb3 s THR 67 Ca -0.05 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 2kb3 s THR 67 Cb 0.20 -0.51 0.05 0.00 0.01 0.00 0.00 72.50 72.24 2kb3 s THR 67 CO 0.73 0.04 0.01 -0.89 -0.69 0.00 0.00 174.62 173.82 2kb3 s THR 68 N 1.15 0.59 -0.04 -0.82 2.01 0.61 -5.00 115.64 114.14 2kb3 s THR 68 Ca -0.08 -0.36 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 2kb3 s THR 68 Cb -0.08 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2kb3 s THR 68 CO -0.09 -0.00 0.61 -0.89 -0.69 0.00 0.00 174.62 173.56 2kb3 s THR 69 N 1.85 5.00 -0.02 -0.82 2.01 -1.26 -0.27 115.64 122.13 2kb3 s THR 69 Ca 0.01 1.26 0.07 0.00 0.31 0.00 0.00 61.69 63.35 2kb3 s THR 69 Cb -0.15 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2kb3 s THR 69 CO -0.07 0.35 -0.24 0.00 -0.69 0.00 0.00 174.62 173.97 2kb3 s ALA 70 N 0.26 2.26 0.00 7.40 0.00 0.54 -0.06 121.76 132.16 2kb3 s ALA 70 Ca 0.32 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2kb3 s ALA 70 Cb -0.18 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2kb3 s ALA 70 CO 0.16 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.87 2kb3 n GLY 71 N 2.33 -0.41 3.12 0.00 0.00 -1.26 -0.13 105.19 108.85 2kb3 n GLY 71 Ca -0.16 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 2.85 0.00 1.61 3.52 0.61 -2.62 118.95 122.92 2kb3 s ARG 72 Ca 0.00 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 2kb3 s ARG 72 Cb 0.00 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2kb3 s ARG 72 CO 0.00 -0.29 0.00 1.58 -0.81 0.00 0.00 175.30 175.78 2kb3 n HIS 73 N 4.59 0.00 0.23 5.12 -0.00 -1.26 -3.93 115.22 119.97 2kb3 n HIS 73 Ca -0.19 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.02 2kb3 n HIS 73 Cb 0.48 0.00 0.14 0.00 -0.12 0.00 0.00 29.99 30.49 2kb3 n HIS 73 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kb3 n PRO 74 N -0.92 0.00 0.02 1.57 -0.04 -1.26 -1.56 135.00 132.81 2kb3 n PRO 74 Ca 0.00 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2kb3 n PRO 74 Cb 0.00 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.45 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kb3 n GLU 75 N -1.50 0.06 -3.18 0.54 1.02 -1.26 -4.71 120.64 111.60 2kb3 n GLU 75 Ca 0.02 0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.83 2kb3 n GLU 75 Cb 0.08 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 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 -3.29 7.01 0.02 1.62 0.01 -0.60 -4.86 113.70 113.61 2kb3 s SER 76 Ca 0.12 1.32 -0.18 0.00 1.31 0.00 0.00 55.95 58.52 2kb3 s SER 76 Cb 0.17 -2.38 -0.26 0.00 0.21 0.00 0.00 66.02 63.76 2kb3 s SER 76 CO 0.59 0.09 1.07 -0.78 0.41 0.00 0.00 173.24 174.62 2kb3 h ASP 77 N 3.63 0.65 -3.41 2.44 3.58 -0.76 -3.43 116.42 119.12 2kb3 h ASP 77 Ca -0.48 -0.81 -0.65 0.00 0.42 0.00 0.00 57.03 55.51 2kb3 h ASP 77 Cb 1.20 -0.20 -0.22 0.00 1.72 0.00 0.00 39.33 41.82 2kb3 h ASP 77 CO 0.65 1.39 -0.70 0.27 -2.88 0.00 0.00 179.24 177.97 2kb3 s ILE 78 N -3.02 3.61 -0.31 2.25 -5.25 -1.19 -5.01 121.20 112.28 2kb3 s ILE 78 Ca -0.12 -0.47 -0.17 0.00 -0.99 0.00 0.00 60.65 58.90 2kb3 s ILE 78 Cb 0.04 -2.54 -0.02 0.00 2.95 0.00 0.00 42.46 42.89 2kb3 s ILE 78 CO 0.86 0.53 0.47 0.12 -1.79 0.00 0.00 174.94 175.14 2kb3 s PHE 79 N 0.06 3.22 -0.03 1.37 5.36 -1.26 -4.09 117.98 122.60 2kb3 s PHE 79 Ca -0.02 0.32 0.05 0.00 -0.96 0.00 0.00 56.93 56.32 2kb3 s PHE 79 Cb -0.14 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.73 2kb3 s PHE 79 CO 0.03 -0.41 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.69 2kb3 s LEU 80 N 2.28 2.48 -0.33 6.12 1.43 -1.08 -4.96 118.68 124.62 2kb3 s LEU 80 Ca 0.18 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 2kb3 s LEU 80 Cb -0.16 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2kb3 s LEU 80 CO 0.11 0.33 0.60 -0.62 0.23 0.00 0.00 176.35 177.00 2kb3 s ASP 81 N -0.73 6.43 0.44 2.29 2.15 -1.26 -3.70 116.67 122.29 2kb3 s ASP 81 Ca 0.11 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.37 2kb3 s ASP 81 Cb -0.10 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2kb3 s ASP 81 CO 0.00 -0.50 0.63 -0.62 -0.17 0.00 0.00 175.17 174.51 2kb3 s ASP 82 N 1.71 5.70 0.24 -0.34 2.15 -1.26 -4.74 116.67 120.12 2kb3 s ASP 82 Ca 0.23 -0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.26 2kb3 s ASP 82 Cb -0.15 -1.13 0.23 0.00 -0.30 0.00 0.00 42.92 41.56 2kb3 s ASP 82 CO 0.13 -0.75 1.53 0.58 -0.17 0.00 0.00 175.17 176.49 2kb3 h VAL 83 N 0.49 1.48 -0.43 1.11 2.07 -1.98 -3.47 116.25 115.52 2kb3 h VAL 83 Ca -0.44 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.74 2kb3 h VAL 83 Cb 1.27 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2kb3 h VAL 83 CO 0.53 0.67 0.00 1.07 0.02 0.00 0.00 177.57 179.86 2kb3 n THR 84 N -3.73 0.00 -3.07 2.57 5.66 -1.26 -5.08 114.28 109.37 2kb3 n THR 84 Ca -0.01 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.54 2kb3 n THR 84 Cb 0.68 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.59 4.78 -0.57 1.08 1.01 -1.26 -4.87 120.40 121.16 2kb3 s VAL 85 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.97 2kb3 s VAL 85 Cb 0.00 -4.55 0.15 0.00 0.00 0.00 0.00 36.38 31.98 2kb3 s VAL 85 CO 0.00 -1.21 0.36 -0.44 0.00 0.00 0.00 175.10 173.81 2kb3 s SER 86 N 3.55 4.09 0.15 3.32 0.01 -1.26 -0.92 113.70 122.64 2kb3 s SER 86 Ca 0.16 -3.29 -0.15 0.00 1.31 0.00 0.00 55.95 53.97 2kb3 s SER 86 Cb -0.20 -1.39 0.03 0.00 0.21 0.00 0.00 66.02 64.66 2kb3 s SER 86 CO 0.04 -0.17 1.73 0.08 0.41 0.00 0.00 173.24 175.34 2kb3 h ARG 87 N 5.99 0.67 -4.87 12.44 0.11 -1.70 0.17 114.38 127.21 2kb3 h ARG 87 Ca 0.06 -0.10 -0.67 0.00 0.10 0.00 0.00 59.98 59.38 2kb3 h ARG 87 Cb 0.84 -0.12 -0.36 0.00 1.11 0.00 0.00 29.97 31.44 2kb3 h ARG 87 CO 0.63 0.56 -0.78 1.03 0.10 0.00 0.00 179.97 181.51 2kb3 s ARG 88 N -5.73 2.36 -0.27 0.08 0.52 -1.26 -4.14 118.95 110.51 2kb3 s ARG 88 Ca -0.13 -1.28 -0.14 0.00 -0.52 0.00 0.00 55.73 53.66 2kb3 s ARG 88 Cb 0.11 -2.93 -0.11 0.00 0.52 0.00 0.00 34.95 32.54 2kb3 s ARG 88 CO 0.76 -0.55 -0.36 1.58 0.02 0.00 0.00 175.30 176.75 2kb3 n HIS 89 N 4.49 0.00 -3.90 -0.53 -0.00 0.82 -3.62 115.22 112.48 2kb3 n HIS 89 Ca -0.14 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.93 2kb3 n HIS 89 Cb 0.43 -0.95 -0.11 0.00 -0.12 0.00 0.00 29.99 29.25 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 -2.54 -0.19 -0.05 1.57 0.00 -1.04 0.05 121.76 119.57 2kb3 s ALA 90 Ca -0.38 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2kb3 s ALA 90 Cb 0.14 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 2kb3 s ALA 90 CO 0.48 -0.18 -0.20 -1.83 0.00 0.00 0.00 175.76 174.03 2kb3 s GLU 91 N -1.25 2.09 -0.22 0.00 -1.05 0.55 -0.34 118.70 118.49 2kb3 s GLU 91 Ca -0.13 -0.71 -0.07 0.00 -0.15 0.00 0.00 54.97 53.90 2kb3 s GLU 91 Cb -0.08 -1.78 -0.03 0.00 -0.44 0.00 0.00 34.13 31.80 2kb3 s GLU 91 CO 0.01 0.28 0.06 -0.06 0.95 0.00 0.00 175.26 176.50 2kb3 s PHE 92 N 0.01 3.14 -0.14 4.83 0.40 0.63 -0.63 117.98 126.22 2kb3 s PHE 92 Ca -0.05 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2kb3 s PHE 92 Cb -0.13 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 2kb3 s PHE 92 CO 0.03 -0.13 -0.14 1.03 0.70 0.00 0.00 175.22 176.71 2kb3 s ARG 93 N 1.03 3.30 -0.23 0.44 0.52 -0.09 -0.28 118.95 123.64 2kb3 s ARG 93 Ca 0.04 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.55 2kb3 s ARG 93 Cb -0.14 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.75 2kb3 s ARG 93 CO 0.03 0.11 -0.12 0.42 0.02 0.00 0.00 175.30 175.75 2kb3 s ILE 94 N 0.60 1.98 -0.03 1.52 1.09 -0.44 -0.66 121.20 125.26 2kb3 s ILE 94 Ca -0.08 -1.32 0.01 0.00 -1.10 0.00 0.00 60.65 58.16 2kb3 s ILE 94 Cb -0.16 -2.03 0.02 0.00 -1.06 0.00 0.00 42.46 39.23 2kb3 s ILE 94 CO 0.03 0.13 -0.02 0.54 -0.10 0.00 0.00 174.94 175.52 2kb3 s ASN 95 N 1.23 0.62 -1.46 3.58 4.22 0.01 -3.66 114.94 119.48 2kb3 s ASN 95 Ca -0.04 -0.07 -0.09 0.00 -2.14 0.00 0.00 52.86 50.52 2kb3 s ASN 95 Cb -0.18 -0.29 0.04 0.00 1.28 0.00 0.00 41.25 42.10 2kb3 s ASN 95 CO -0.08 -0.06 0.75 -0.62 -2.04 0.00 0.00 177.10 175.05 2kb3 n GLU 96 N 3.95 -5.11 -0.95 3.55 1.02 -1.26 -0.66 120.64 121.19 2kb3 n GLU 96 Ca -0.25 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2kb3 n GLU 96 Cb 0.51 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.36 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.54 0.80 3.61 0.62 0.00 -1.26 -5.02 105.19 102.39 2kb3 n GLY 97 Ca -0.03 0.00 -0.34 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 -0.05 2.91 -0.19 1.61 2.02 0.17 -4.94 118.70 120.23 2kb3 s GLU 98 Ca 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 2kb3 s GLU 98 Cb 0.00 -2.69 -0.00 0.00 0.10 0.00 0.00 34.13 31.54 2kb3 s GLU 98 CO 0.00 0.64 -0.11 -0.06 0.02 0.00 0.00 175.26 175.75 2kb3 s PHE 99 N -0.74 2.87 0.06 1.61 0.40 -1.26 -0.81 117.98 120.11 2kb3 s PHE 99 Ca 0.11 -1.10 0.08 0.00 -0.60 0.00 0.00 56.93 55.42 2kb3 s PHE 99 Cb -0.11 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 2kb3 s PHE 99 CO 0.02 -0.56 -0.22 -1.83 0.70 0.00 0.00 175.22 173.32 2kb3 s GLU 100 N 1.19 1.41 -0.18 0.44 -1.05 0.16 -0.36 118.70 120.32 2kb3 s GLU 100 Ca 0.02 -1.04 -0.02 0.00 -0.15 0.00 0.00 54.97 53.79 2kb3 s GLU 100 Cb -0.14 -1.59 -0.01 0.00 -0.44 0.00 0.00 34.13 31.95 2kb3 s GLU 100 CO -0.04 0.40 -0.10 0.08 0.95 0.00 0.00 175.26 176.54 2kb3 s VAL 101 N -0.88 3.05 -0.16 1.83 1.01 0.60 -0.91 120.40 124.94 2kb3 s VAL 101 Ca 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2kb3 s VAL 101 Cb -0.09 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2kb3 s VAL 101 CO 0.03 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 2kb3 s VAL 102 N 0.97 2.54 -0.19 2.92 1.01 0.20 -1.04 120.40 126.80 2kb3 s VAL 102 Ca -0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 2kb3 s VAL 102 Cb -0.15 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2kb3 s VAL 102 CO -0.01 0.52 0.95 -0.62 0.00 0.00 0.00 175.10 175.94 2kb3 s ASP 103 N 0.89 7.05 -0.00 3.32 2.15 0.17 -0.33 116.67 129.93 2kb3 s ASP 103 Ca -0.04 1.31 0.03 0.00 0.43 0.00 0.00 52.55 54.28 2kb3 s ASP 103 Cb -0.15 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 2kb3 s ASP 103 CO -0.02 -0.54 0.12 1.33 -0.17 0.00 0.00 175.17 175.90 2kb3 n VAL 104 N 5.03 0.00 -1.99 1.11 0.24 -0.49 -4.56 118.33 117.68 2kb3 n VAL 104 Ca 0.09 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 61.67 2kb3 n VAL 104 Cb 0.47 0.92 0.03 0.00 -1.47 0.00 0.00 33.84 33.80 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 5.84 0.00 7.63 0.00 0.11 -4.76 105.19 115.25 2kb3 n GLY 105 Ca 0.00 -2.56 0.04 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.61 0.00 0.16 1.61 3.41 -1.26 -0.60 113.62 116.33 2kb3 n SER 106 Ca 0.50 -0.03 0.03 0.00 -0.26 0.00 0.00 58.87 59.10 2kb3 n SER 106 Cb 0.53 -0.16 0.20 0.00 -0.26 0.00 0.00 64.21 64.51 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 3.38 -1.97 -3.19 115.31 114.57 2kb3 h LEU 107 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kb3 h LEU 107 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kb3 h LEU 107 CO 0.00 0.50 -1.77 0.59 0.09 0.00 0.00 178.44 177.85 2kb3 n ASN 108 N -3.46 1.40 -0.61 -0.43 3.02 0.24 -4.89 115.26 110.52 2kb3 n ASN 108 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kb3 n ASN 108 Cb 0.62 1.57 0.00 0.00 -0.61 0.00 0.00 39.78 41.36 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb3 n GLY 109 N 1.69 -3.69 3.78 7.41 0.00 -0.49 -4.89 105.19 109.01 2kb3 n GLY 109 Ca -0.06 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.03 4.66 -0.11 2.61 2.01 -1.26 -4.47 115.64 119.06 2kb3 s THR 110 Ca 0.00 1.42 0.03 0.00 0.31 0.00 0.00 61.69 63.45 2kb3 s THR 110 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2kb3 s THR 110 CO 0.00 0.49 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.89 2kb3 s TYR 111 N -0.80 2.61 -0.20 4.92 2.02 -0.94 -2.78 117.35 122.19 2kb3 s TYR 111 Ca 0.33 -1.04 -0.02 0.00 -0.37 0.00 0.00 57.07 55.97 2kb3 s TYR 111 Cb -0.20 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 2kb3 s TYR 111 CO 0.21 -0.42 -0.10 0.08 -1.57 0.00 0.00 175.55 173.75 2kb3 s VAL 112 N 0.42 2.89 -1.46 0.71 1.01 0.28 -0.23 120.40 124.01 2kb3 s VAL 112 Ca -0.16 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 2kb3 s VAL 112 Cb -0.17 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.97 2kb3 s VAL 112 CO 0.07 0.47 0.86 0.59 0.00 0.00 0.00 175.10 177.09 2kb3 n ASN 113 N 4.66 -5.45 -1.08 3.32 3.02 0.24 -1.41 115.26 118.56 2kb3 n ASN 113 Ca -0.19 -0.52 -0.14 0.00 -0.03 0.00 0.00 54.58 53.70 2kb3 n ASN 113 Cb 0.51 -4.36 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.45 -1.02 -4.99 3.52 1.74 -1.26 -4.98 116.66 105.22 2kb3 n ARG 114 Ca -0.02 0.99 -0.32 0.00 -0.77 0.00 0.00 57.85 57.73 2kb3 n ARG 114 Cb 0.56 -5.10 -0.15 0.00 -1.02 0.00 0.00 32.46 26.75 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -3.17 2.96 0.01 5.56 2.02 -0.50 -4.81 118.70 120.77 2kb3 s GLU 115 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 2kb3 s GLU 115 Cb 0.00 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 2kb3 s GLU 115 CO 0.00 0.33 1.56 -1.25 0.02 0.00 0.00 175.26 175.92 2kb3 s PRO 116 N 0.02 4.22 -0.07 0.39 0.04 -1.26 -0.56 135.00 137.78 2kb3 s PRO 116 Ca -0.06 2.16 -0.06 0.00 0.04 0.00 0.00 61.00 63.08 2kb3 s PRO 116 Cb -0.15 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.71 2kb3 s PRO 116 CO 0.05 -0.71 0.18 0.50 0.04 0.00 0.00 177.00 177.05 2kb3 s ARG 117 N 2.96 0.20 -0.04 4.56 6.06 -1.12 -4.93 118.95 126.64 2kb3 s ARG 117 Ca 0.70 0.27 -0.06 0.00 -2.50 0.00 0.00 55.73 54.15 2kb3 s ARG 117 Cb -0.35 0.07 -0.28 0.00 0.06 0.00 0.00 34.95 34.45 2kb3 s ARG 117 CO 0.29 -0.04 0.68 -0.91 -2.50 0.00 0.00 175.30 172.82 2kb3 h ASN 118 N 6.04 0.46 -3.65 -2.12 2.35 -1.92 -3.42 115.58 113.33 2kb3 h ASN 118 Ca -0.27 -0.73 -0.20 0.00 -0.55 0.00 0.00 56.30 54.54 2kb3 h ASN 118 Cb 1.19 -0.15 -0.28 0.00 0.05 0.00 0.00 38.32 39.13 2kb3 h ASN 118 CO 0.40 1.63 -0.54 0.00 -1.65 0.00 0.00 177.43 177.27 2kb3 s ALA 119 N -2.59 -0.40 -0.09 -0.83 0.00 -1.26 0.46 121.76 117.06 2kb3 s ALA 119 Ca -0.14 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 2kb3 s ALA 119 Cb 0.06 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2kb3 s ALA 119 CO 0.84 -0.11 0.32 -1.14 0.00 0.00 0.00 175.76 175.66 2kb3 s GLN 120 N 0.51 0.47 -0.15 0.00 -0.44 -0.20 -5.00 119.66 114.84 2kb3 s GLN 120 Ca -0.03 0.25 -0.22 0.00 -2.50 0.00 0.00 55.36 52.86 2kb3 s GLN 120 Cb -0.05 0.22 -0.03 0.00 -1.64 0.00 0.00 33.01 31.51 2kb3 s GLN 120 CO -0.02 -0.09 0.65 0.08 0.50 0.00 0.00 175.29 176.41 2kb3 s VAL 121 N -0.29 5.03 -0.07 1.34 1.01 -1.26 -0.29 120.40 125.87 2kb3 s VAL 121 Ca -0.04 1.28 -0.22 0.00 0.00 0.00 0.00 61.98 63.00 2kb3 s VAL 121 Cb -0.03 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2kb3 s VAL 121 CO 0.02 0.17 0.64 -0.32 0.00 0.00 0.00 175.10 175.60 2kb3 s MET 122 N 1.45 4.40 -0.05 2.72 1.75 0.51 -4.94 119.30 125.14 2kb3 s MET 122 Ca 0.32 0.77 -0.00 0.00 -1.25 0.00 0.00 55.69 55.53 2kb3 s MET 122 Cb -0.16 -3.43 -0.03 0.00 2.84 0.00 0.00 34.83 34.04 2kb3 s MET 122 CO 0.13 0.13 -0.01 -1.14 -0.65 0.00 0.00 175.02 173.48 2kb3 s GLN 123 N 0.62 2.87 0.20 4.11 0.74 -1.26 -4.71 119.66 122.24 2kb3 s GLN 123 Ca 0.34 -0.51 -0.30 0.00 0.05 0.00 0.00 55.36 54.94 2kb3 s GLN 123 Cb -0.17 -2.72 -0.09 0.00 1.10 0.00 0.00 33.01 31.13 2kb3 s GLN 123 CO 0.16 0.67 1.41 -0.08 -0.55 0.00 0.00 175.29 176.90 2kb3 s THR 124 N -0.96 2.91 0.00 -0.34 -1.32 -1.26 -2.35 115.64 112.32 2kb3 s THR 124 Ca 0.16 0.73 0.00 0.00 -1.21 0.00 0.00 61.69 61.36 2kb3 s THR 124 Cb -0.11 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.41 2kb3 s THR 124 CO 0.05 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 2kb3 n GLY 125 N 2.62 0.37 3.84 6.08 0.00 0.13 -4.57 105.19 113.66 2kb3 n GLY 125 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.70 6.78 -0.13 1.61 1.01 -0.99 -1.20 116.67 121.05 2kb3 s ASP 126 Ca 0.00 1.48 -0.01 0.00 0.71 0.00 0.00 52.55 54.73 2kb3 s ASP 126 Cb 0.00 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 2kb3 s ASP 126 CO 0.00 -0.36 -0.10 -1.61 0.21 0.00 0.00 175.17 173.31 2kb3 s GLU 127 N -3.37 3.35 -0.15 8.23 2.02 -1.26 -0.77 118.70 126.76 2kb3 s GLU 127 Ca 0.58 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.90 2kb3 s GLU 127 Cb -0.10 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 2kb3 s GLU 127 CO 0.20 0.29 -0.01 0.42 0.02 0.00 0.00 175.26 176.18 2kb3 s ILE 128 N 0.18 4.14 -0.23 -1.63 1.01 0.12 0.79 121.20 125.57 2kb3 s ILE 128 Ca -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2kb3 s ILE 128 Cb -0.15 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2kb3 s ILE 128 CO 0.04 0.50 -0.04 -1.58 0.00 0.00 0.00 174.94 173.87 2kb3 s GLN 129 N 0.17 3.20 -0.41 2.79 0.74 0.68 -0.33 119.66 126.50 2kb3 s GLN 129 Ca -0.00 -0.74 -0.07 0.00 0.05 0.00 0.00 55.36 54.60 2kb3 s GLN 129 Cb -0.13 -3.03 0.08 0.00 1.10 0.00 0.00 33.01 31.03 2kb3 s GLN 129 CO 0.02 -0.28 0.22 0.42 -0.55 0.00 0.00 175.29 175.13 2kb3 s ILE 130 N 1.44 3.87 0.00 -2.34 -1.09 -0.37 -2.20 121.20 120.50 2kb3 s ILE 130 Ca 0.04 -1.57 0.00 0.00 -2.23 0.00 0.00 60.65 56.89 2kb3 s ILE 130 Cb -0.15 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2kb3 s ILE 130 CO -0.03 -0.52 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 2kb3 n GLY 131 N 4.81 1.67 0.00 6.18 0.00 -1.26 -1.07 105.19 115.52 2kb3 n GLY 131 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 2.74 -2.96 1.61 2.85 -1.26 -4.79 118.16 116.35 2kb3 n LYS 132 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 2kb3 n LYS 132 Cb 0.00 -0.30 0.02 0.00 -0.65 0.00 0.00 35.03 34.10 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb3 s PHE 133 N -0.40 2.76 -0.14 5.58 -0.71 -0.24 -4.99 117.98 119.85 2kb3 s PHE 133 Ca 0.00 -0.36 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 2kb3 s PHE 133 Cb 0.00 -2.43 0.00 0.00 -1.21 0.00 0.00 43.02 39.38 2kb3 s PHE 133 CO 0.00 -0.52 -0.20 0.50 -1.34 0.00 0.00 175.22 173.67 2kb3 s ARG 134 N -4.42 3.11 -0.01 1.99 6.06 -0.91 -1.24 118.95 123.52 2kb3 s ARG 134 Ca 0.56 -0.81 0.05 0.00 -2.50 0.00 0.00 55.73 53.02 2kb3 s ARG 134 Cb -0.10 -2.49 -0.01 0.00 0.06 0.00 0.00 34.95 32.41 2kb3 s ARG 134 CO 0.34 0.03 -0.17 -0.51 -2.50 0.00 0.00 175.30 172.50 2kb3 s LEU 135 N 0.73 2.04 -0.14 -0.88 1.02 0.55 -0.30 118.68 121.69 2kb3 s LEU 135 Ca -0.08 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.76 2kb3 s LEU 135 Cb -0.16 -0.86 -0.01 0.00 0.02 0.00 0.00 46.19 45.18 2kb3 s LEU 135 CO 0.01 0.20 -0.14 -0.69 0.02 0.00 0.00 176.35 175.74 2kb3 s VAL 136 N -0.41 2.83 -0.26 -1.59 1.01 0.65 0.14 120.40 122.77 2kb3 s VAL 136 Ca 0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2kb3 s VAL 136 Cb -0.07 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2kb3 s VAL 136 CO -0.01 0.52 0.25 0.12 0.00 0.00 0.00 175.10 175.98 2kb3 s PHE 137 N 0.61 3.26 0.06 5.22 5.36 0.05 -0.56 117.98 131.98 2kb3 s PHE 137 Ca -0.08 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.13 2kb3 s PHE 137 Cb -0.16 -2.43 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 2kb3 s PHE 137 CO 0.03 -0.13 -0.00 -0.48 -1.46 0.00 0.00 175.22 173.18 2kb3 s LEU 138 N 1.69 2.33 0.01 6.12 2.34 -0.02 0.20 118.68 131.35 2kb3 s LEU 138 Ca 0.10 -1.00 -0.30 0.00 0.06 0.00 0.00 54.13 52.99 2kb3 s LEU 138 Cb -0.15 0.27 -0.05 0.00 -0.56 0.00 0.00 46.19 45.70 2kb3 s LEU 138 CO 0.09 -0.62 1.25 0.00 -1.06 0.00 0.00 176.35 176.01 2kb3 s ALA 139 N -3.93 3.48 0.00 1.48 0.00 -1.26 -0.63 121.76 120.89 2kb3 s ALA 139 Ca 0.09 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2kb3 s ALA 139 Cb 0.08 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kb3 s ALA 139 CO -0.09 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2kb3 n GLY 140 N 3.37 0.76 3.78 0.00 0.00 -1.23 -4.80 105.19 107.07 2kb3 n GLY 140 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2kb3 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb3 s PRO 141 N 0.83 2.71 -0.13 1.61 0.04 -1.26 -4.93 135.00 133.87 2kb3 s PRO 141 Ca 0.00 1.20 0.18 0.00 0.04 0.00 0.00 61.00 62.42 2kb3 s PRO 141 Cb 0.00 -1.95 0.29 0.00 0.04 0.00 0.00 34.50 32.88 2kb3 s PRO 141 CO 0.00 -1.29 1.15 0.00 0.04 0.00 0.00 177.00 176.90 2kb3 n ALA 142 N -2.89 2.38 1.74 8.56 0.00 -1.26 -4.38 120.51 124.67 2kb3 n ALA 142 Ca 0.09 -2.64 0.15 0.00 0.00 0.00 0.00 53.44 51.04 2kb3 n ALA 142 Cb 0.53 -0.38 0.73 0.00 0.00 0.00 0.00 19.45 20.33 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59