#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.00 -1.03 6.12 0.87 -2.12 -3.47 113.55 113.92 2kb4 h SER 2 Ca 0.00 -0.81 -0.34 0.00 -1.23 0.00 0.00 61.79 59.41 2kb4 h SER 2 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 2kb4 h SER 2 CO 0.00 1.16 -0.31 -0.67 -0.53 0.00 0.00 176.83 176.48 2kb4 n ASP 3 N -4.55 -4.87 -4.26 6.23 2.03 -1.26 -4.94 116.55 104.94 2kb4 n ASP 3 Ca -0.17 0.41 -0.26 0.00 0.52 0.00 0.00 54.79 55.30 2kb4 n ASP 3 Cb 0.54 -4.22 -0.14 0.00 -0.72 0.00 0.00 41.12 36.58 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kb4 s ASN 4 N -2.49 2.51 -0.31 1.67 0.02 -1.26 -5.10 114.94 109.98 2kb4 s ASN 4 Ca 0.00 -0.54 0.03 0.00 -1.02 0.00 0.00 52.86 51.33 2kb4 s ASN 4 Cb 0.00 -0.20 0.09 0.00 0.02 0.00 0.00 41.25 41.16 2kb4 s ASN 4 CO 0.00 0.15 0.01 0.20 0.02 0.00 0.00 177.10 177.49 2kb4 s ASN 5 N -1.25 4.55 -0.58 -1.22 0.02 -1.26 -5.07 114.94 110.13 2kb4 s ASN 5 Ca 0.08 -1.87 -0.27 0.00 -1.02 0.00 0.00 52.86 49.78 2kb4 s ASN 5 Cb -0.09 -1.50 0.03 0.00 0.02 0.00 0.00 41.25 39.71 2kb4 s ASN 5 CO 0.02 -0.33 1.12 -0.83 0.02 0.00 0.00 177.10 177.09 2kb4 s GLY 6 N 1.05 1.21 0.08 0.66 0.00 -1.26 -5.00 107.32 104.06 2kb4 s GLY 6 Ca 0.05 -1.01 -0.27 0.00 0.00 0.00 0.00 44.72 43.50 2kb4 s GLY 6 CO -0.09 2.37 0.83 -1.08 0.00 0.00 0.00 173.10 175.12 2kb4 s THR 7 N 4.68 4.61 0.58 0.90 -1.32 -1.26 -5.03 115.64 118.79 2kb4 s THR 7 Ca 0.38 1.78 -0.19 0.00 -1.21 0.00 0.00 61.69 62.45 2kb4 s THR 7 Cb -0.09 -4.18 -0.04 0.00 -1.51 0.00 0.00 72.50 66.67 2kb4 s THR 7 CO 0.23 0.37 1.18 -2.16 -2.21 0.00 0.00 174.62 172.03 2kb4 s PRO 8 N -0.19 3.09 -0.42 7.08 0.04 -1.26 -4.97 135.00 138.36 2kb4 s PRO 8 Ca 0.41 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 2kb4 s PRO 8 Cb -0.22 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2kb4 s PRO 8 CO 0.26 -1.10 1.13 -1.83 0.04 0.00 0.00 177.00 175.50 2kb4 s GLU 9 N -3.33 3.83 -0.08 4.56 1.03 -1.26 -4.97 118.70 118.48 2kb4 s GLU 9 Ca 0.76 0.75 -0.29 0.00 0.03 0.00 0.00 54.97 56.21 2kb4 s GLU 9 Cb -0.28 -3.86 -0.06 0.00 -0.80 0.00 0.00 34.13 29.14 2kb4 s GLU 9 CO 0.31 -1.23 1.77 -2.14 -1.33 0.00 0.00 175.26 172.65 2kb4 s PRO 10 N 4.21 4.00 -1.15 -4.83 0.02 -1.26 -4.91 135.00 131.08 2kb4 s PRO 10 Ca 0.48 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 63.55 2kb4 s PRO 10 Cb -0.09 -4.07 0.21 0.00 0.02 0.00 0.00 34.50 30.56 2kb4 s PRO 10 CO 0.26 -1.08 1.29 -1.14 -0.33 0.00 0.00 177.00 176.01 2kb4 s GLN 11 N 4.48 4.09 -0.26 5.54 2.00 -1.26 -4.94 119.66 129.31 2kb4 s GLN 11 Ca 0.79 -2.75 -0.08 0.00 -2.00 0.00 0.00 55.36 51.32 2kb4 s GLN 11 Cb -0.34 -4.87 -0.03 0.00 0.80 0.00 0.00 33.01 28.57 2kb4 s GLN 11 CO 0.33 -1.58 0.10 0.08 -0.50 0.00 0.00 175.29 173.72 2kb4 s VAL 12 N 0.65 4.58 0.33 1.34 1.01 -1.26 -5.07 120.40 121.97 2kb4 s VAL 12 Ca 0.37 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 2kb4 s VAL 12 Cb -0.06 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 2kb4 s VAL 12 CO -0.03 0.32 1.19 -1.83 0.00 0.00 0.00 175.10 174.75 2kb4 s GLU 13 N 1.65 4.40 -0.66 2.72 4.04 -1.26 -4.98 118.70 124.60 2kb4 s GLU 13 Ca 0.07 1.97 -0.02 0.00 0.04 0.00 0.00 54.97 57.03 2kb4 s GLU 13 Cb -0.15 -3.02 0.17 0.00 0.02 0.00 0.00 34.13 31.14 2kb4 s GLU 13 CO 0.06 -0.06 0.48 0.99 -1.84 0.00 0.00 175.26 174.89 2kb4 s THR 14 N -1.21 3.68 -0.68 1.83 2.01 -1.26 -5.00 115.64 115.01 2kb4 s THR 14 Ca 0.49 -3.21 -0.15 0.00 0.31 0.00 0.00 61.69 59.13 2kb4 s THR 14 Cb -0.35 -3.39 0.17 0.00 0.01 0.00 0.00 72.50 68.95 2kb4 s THR 14 CO 0.45 -0.91 0.63 -0.89 -0.69 0.00 0.00 174.62 173.20 2kb4 s THR 15 N -0.37 5.37 -0.58 -0.82 2.01 -1.26 -4.99 115.64 115.00 2kb4 s THR 15 Ca 0.19 -2.00 -0.14 0.00 0.31 0.00 0.00 61.69 60.05 2kb4 s THR 15 Cb -0.18 -4.38 0.14 0.00 0.01 0.00 0.00 72.50 68.09 2kb4 s THR 15 CO -0.05 -0.95 0.52 -0.55 -0.69 0.00 0.00 174.62 172.91 2kb4 s SER 16 N 2.85 6.21 -0.65 3.53 0.15 -1.26 -5.00 113.70 119.52 2kb4 s SER 16 Ca 0.10 -1.99 -0.18 0.00 0.70 0.00 0.00 55.95 54.59 2kb4 s SER 16 Cb -0.20 -2.18 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 2kb4 s SER 16 CO -0.03 -0.78 0.74 -0.69 1.20 0.00 0.00 173.24 173.68 2kb4 s VAL 17 N 1.28 4.94 -0.11 4.45 1.01 -1.26 -5.01 120.40 125.70 2kb4 s VAL 17 Ca 0.06 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 2kb4 s VAL 17 Cb -0.26 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 2kb4 s VAL 17 CO 0.00 -1.13 0.62 0.72 0.00 0.00 0.00 175.10 175.31 2kb4 s PHE 18 N 2.27 3.52 0.26 5.22 -0.71 -1.26 -5.05 117.98 122.23 2kb4 s PHE 18 Ca 0.14 1.07 0.08 0.00 -1.04 0.00 0.00 56.93 57.18 2kb4 s PHE 18 Cb -0.21 -2.72 -0.04 0.00 -1.21 0.00 0.00 43.02 38.84 2kb4 s PHE 18 CO 0.02 0.06 0.09 1.03 -1.34 0.00 0.00 175.22 175.08 2kb4 s ARG 19 N 0.97 2.59 -0.95 1.99 0.52 -1.26 -5.05 118.95 117.76 2kb4 s ARG 19 Ca 0.32 -1.25 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 2kb4 s ARG 19 Cb -0.16 -2.35 0.24 0.00 0.52 0.00 0.00 34.95 33.20 2kb4 s ARG 19 CO 0.14 0.38 0.92 0.00 0.02 0.00 0.00 175.30 176.76 2kb4 s ALA 20 N -2.24 4.33 -0.17 2.13 0.00 -1.26 -4.77 121.76 119.79 2kb4 s ALA 20 Ca 0.32 -3.52 -0.05 0.00 0.00 0.00 0.00 51.96 48.71 2kb4 s ALA 20 Cb -0.07 -3.56 -0.23 0.00 0.00 0.00 0.00 23.12 19.26 2kb4 s ALA 20 CO 0.22 -2.27 0.17 -0.25 0.00 0.00 0.00 175.76 173.63 2kb4 n ASP 21 N 3.54 2.08 -4.80 0.00 8.00 -1.26 -4.96 116.55 119.15 2kb4 n ASP 21 Ca 0.18 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.47 2kb4 n ASP 21 Cb 0.44 -0.73 0.02 0.00 -0.02 0.00 0.00 41.12 40.83 2kb4 n ASP 21 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2kb4 s LEU 22 N -6.91 3.45 0.00 0.64 0.05 -1.26 -5.06 118.68 109.58 2kb4 s LEU 22 Ca -0.27 1.82 0.05 0.00 0.05 0.00 0.00 54.13 55.79 2kb4 s LEU 22 Cb 0.07 -4.53 -0.02 0.00 -2.05 0.00 0.00 46.19 39.66 2kb4 s LEU 22 CO 0.71 -1.26 0.19 0.18 -0.55 0.00 0.00 176.35 175.63 2kb4 n LEU 23 N -2.19 0.00 -4.57 1.48 4.77 -1.26 -5.08 117.00 110.14 2kb4 n LEU 23 Ca 0.09 -2.62 -0.41 0.00 -0.03 0.00 0.00 56.01 53.04 2kb4 n LEU 23 Cb 0.53 1.19 -0.03 0.00 -2.33 0.00 0.00 43.42 42.79 2kb4 n LEU 23 CO 0.48 -0.42 1.25 -0.54 -1.33 0.00 0.00 177.39 176.82 2kb4 s LYS 24 N -3.19 3.27 -0.62 3.23 1.02 -1.26 -4.94 119.74 117.26 2kb4 s LYS 24 Ca 0.27 0.35 -0.26 0.00 0.02 0.00 0.00 55.97 56.36 2kb4 s LYS 24 Cb 0.01 -4.13 0.04 0.00 -0.52 0.00 0.00 37.83 33.23 2kb4 s LYS 24 CO 0.19 -1.98 1.10 -1.21 -0.92 0.00 0.00 175.35 172.53 2kb4 s GLU 25 N 5.57 3.32 -0.79 1.68 2.02 -1.26 -4.96 118.70 124.28 2kb4 s GLU 25 Ca 0.50 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 55.08 2kb4 s GLU 25 Cb -0.10 -4.10 0.08 0.00 0.10 0.00 0.00 34.13 30.11 2kb4 s GLU 25 CO 0.23 -1.75 1.13 -1.64 0.02 0.00 0.00 175.26 173.25 2kb4 s MET 26 N 4.70 3.31 -0.24 1.61 -1.94 -1.26 -4.96 119.30 120.52 2kb4 s MET 26 Ca 0.34 -1.01 -0.04 0.00 -1.71 0.00 0.00 55.69 53.27 2kb4 s MET 26 Cb -0.11 -4.56 -0.00 0.00 2.01 0.00 0.00 34.83 32.18 2kb4 s MET 26 CO 0.19 -1.92 -0.03 -2.00 -0.01 0.00 0.00 175.02 171.25 2kb4 s GLU 27 N 4.13 3.26 -0.10 2.03 2.12 -1.26 -5.07 118.70 123.81 2kb4 s GLU 27 Ca 0.30 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.96 2kb4 s GLU 27 Cb -0.10 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.24 2kb4 s GLU 27 CO 0.03 -0.26 -0.21 0.45 -0.54 0.00 0.00 175.26 174.73 2kb4 s SER 28 N 1.46 2.80 0.29 -1.70 0.15 -1.26 -4.73 113.70 110.71 2kb4 s SER 28 Ca 0.04 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.24 2kb4 s SER 28 Cb -0.15 -1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 62.86 2kb4 s SER 28 CO -0.03 0.11 0.27 -1.54 1.20 0.00 0.00 173.24 173.25 2kb4 n SER 29 N 3.76 -0.69 -4.70 5.45 3.41 -1.26 -4.98 113.62 114.60 2kb4 n SER 29 Ca -0.20 -2.89 -0.42 0.00 -0.26 0.00 0.00 58.87 55.10 2kb4 n SER 29 Cb 0.52 1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 66.00 2kb4 n SER 29 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kb4 s THR 30 N -3.14 4.17 0.00 6.66 2.01 -1.26 -3.14 115.64 120.94 2kb4 s THR 30 Ca 0.34 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.87 2kb4 s THR 30 Cb 0.01 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2kb4 s THR 30 CO 0.24 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2kb4 n GLY 31 N 3.28 3.09 3.86 4.40 0.00 -1.26 -5.03 105.19 113.53 2kb4 n GLY 31 Ca 0.10 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2kb4 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 32 N -0.59 4.22 0.03 2.61 -4.23 -1.19 -5.00 115.64 111.51 2kb4 s THR 32 Ca 0.00 0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 60.93 2kb4 s THR 32 Cb 0.00 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 2kb4 s THR 32 CO 0.00 -0.94 1.40 0.00 -0.54 0.00 0.00 174.62 174.53 2kb4 s ALA 33 N -3.18 3.58 0.12 3.99 0.00 -1.26 -4.72 121.76 120.29 2kb4 s ALA 33 Ca 0.57 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.17 2kb4 s ALA 33 Cb -0.12 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 2kb4 s ALA 33 CO 0.54 -0.82 1.72 -1.25 0.00 0.00 0.00 175.76 175.95 2kb4 s PRO 34 N 2.03 4.16 -0.75 0.00 0.04 -1.26 -4.78 135.00 134.45 2kb4 s PRO 34 Ca 0.64 2.48 -0.26 0.00 0.04 0.00 0.00 61.00 63.91 2kb4 s PRO 34 Cb -0.33 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 2kb4 s PRO 34 CO 0.28 -0.76 1.90 0.00 0.04 0.00 0.00 177.00 178.45 2kb4 s ALA 35 N 2.29 1.94 0.16 8.56 0.00 -1.26 -4.91 121.76 128.55 2kb4 s ALA 35 Ca 0.76 -1.05 0.11 0.00 0.00 0.00 0.00 51.96 51.78 2kb4 s ALA 35 Cb -0.44 -4.42 -0.04 0.00 0.00 0.00 0.00 23.12 18.22 2kb4 s ALA 35 CO 0.34 -4.32 -0.24 -1.54 0.00 0.00 0.00 175.76 170.00 2kb4 s SER 36 N 8.04 3.20 0.94 0.00 1.04 -1.26 -4.97 113.70 120.69 2kb4 s SER 36 Ca 0.68 -0.81 -0.15 0.00 0.48 0.00 0.00 55.95 56.15 2kb4 s SER 36 Cb -0.10 -0.22 0.18 0.00 0.10 0.00 0.00 66.02 65.99 2kb4 s SER 36 CO 0.11 0.11 1.29 0.28 0.98 0.00 0.00 173.24 176.01 2kb4 s THR 37 N -1.47 1.99 -0.81 2.02 -1.32 -1.26 -4.96 115.64 109.83 2kb4 s THR 37 Ca 0.16 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.41 2kb4 s THR 37 Cb -0.09 -2.99 0.06 0.00 -1.51 0.00 0.00 72.50 67.98 2kb4 s THR 37 CO 0.08 0.00 1.22 -0.83 -2.21 0.00 0.00 174.62 172.88 2kb4 s GLY 38 N -4.81 1.23 0.41 6.08 0.00 -1.26 -4.78 107.32 104.20 2kb4 s GLY 38 Ca 0.72 -1.89 0.12 0.00 0.00 0.00 0.00 44.72 43.66 2kb4 s GLY 38 CO 0.52 2.43 1.97 0.00 0.00 0.00 0.00 173.10 178.02 2kb4 h ALA 39 N 9.70 1.94 0.00 3.20 0.00 -1.93 -0.27 119.26 131.90 2kb4 h ALA 39 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kb4 h ALA 39 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kb4 h ALA 39 CO 1.27 -0.07 0.00 -0.85 0.00 0.00 0.00 179.25 179.60 2kb4 n GLU 40 N -4.48 0.16 0.08 0.00 0.00 -1.26 -2.25 120.64 112.88 2kb4 n GLU 40 Ca 0.10 0.43 0.13 0.00 0.00 0.00 0.00 57.16 57.82 2kb4 n GLU 40 Cb 0.34 -1.82 0.35 0.00 0.00 0.00 0.00 31.44 30.31 2kb4 n GLU 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kb4 n ASN 41 N -2.12 0.68 -4.64 -1.84 3.02 -0.11 -4.78 115.26 105.47 2kb4 n ASN 41 Ca 0.02 0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 54.53 2kb4 n ASN 41 Cb 0.19 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 2kb4 n ASN 41 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kb4 s LEU 42 N -4.20 4.02 0.38 3.41 1.02 -0.96 -4.89 118.68 117.46 2kb4 s LEU 42 Ca 0.10 1.87 0.16 0.00 0.02 0.00 0.00 54.13 56.28 2kb4 s LEU 42 Cb 0.14 -3.53 0.78 0.00 0.02 0.00 0.00 46.19 43.59 2kb4 s LEU 42 CO 0.63 -1.19 1.81 1.55 0.02 0.00 0.00 176.35 179.18 2kb4 h PRO 43 N 10.64 0.00 -0.55 1.29 0.13 -1.90 -2.25 132.00 139.36 2kb4 h PRO 43 Ca -0.36 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.63 2kb4 h PRO 43 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2kb4 h PRO 43 CO 0.98 0.36 0.13 0.00 -0.23 0.00 0.00 178.00 179.25 2kb4 n ALA 44 N -2.39 4.07 0.02 -0.56 0.00 -1.26 -0.79 120.51 119.60 2kb4 n ALA 44 Ca -0.01 -2.40 0.07 0.00 0.00 0.00 0.00 53.44 51.10 2kb4 n ALA 44 Cb 0.43 -1.03 0.16 0.00 0.00 0.00 0.00 19.45 19.01 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 45 N -0.30 1.90 3.89 0.00 0.00 -0.85 -4.93 105.19 104.90 2kb4 n GLY 45 Ca 0.34 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -1.07 6.54 0.18 1.61 0.01 -1.24 -4.98 113.70 114.74 2kb4 s SER 46 Ca 0.27 0.90 -0.16 0.00 1.31 0.00 0.00 55.95 58.27 2kb4 s SER 46 Cb 0.15 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 64.18 2kb4 s SER 46 CO 0.20 -0.20 0.46 0.00 0.41 0.00 0.00 173.24 174.11 2kb4 s ALA 47 N -2.05 -0.74 0.01 1.44 0.00 -1.24 -3.37 121.76 115.80 2kb4 s ALA 47 Ca 0.47 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.14 2kb4 s ALA 47 Cb -0.11 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2kb4 s ALA 47 CO 0.27 -0.75 -0.13 -0.48 0.00 0.00 0.00 175.76 174.66 2kb4 s LEU 48 N -2.88 2.08 -0.13 0.00 2.34 0.82 -0.02 118.68 120.89 2kb4 s LEU 48 Ca 0.10 -0.32 -0.02 0.00 0.06 0.00 0.00 54.13 53.95 2kb4 s LEU 48 Cb 0.00 -0.64 -0.03 0.00 -0.56 0.00 0.00 46.19 44.97 2kb4 s LEU 48 CO -0.04 0.11 -0.05 -1.48 -1.06 0.00 0.00 176.35 173.83 2kb4 s LEU 49 N -0.61 3.20 -0.21 1.48 0.05 0.63 -0.91 118.68 122.31 2kb4 s LEU 49 Ca 0.04 -0.10 0.01 0.00 0.05 0.00 0.00 54.13 54.12 2kb4 s LEU 49 Cb -0.06 -1.74 0.03 0.00 -2.05 0.00 0.00 46.19 42.36 2kb4 s LEU 49 CO 0.00 0.23 -0.16 -0.69 -0.55 0.00 0.00 176.35 175.19 2kb4 s VAL 50 N -0.03 2.23 -0.36 1.48 1.01 0.84 -0.51 120.40 125.07 2kb4 s VAL 50 Ca 0.01 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 2kb4 s VAL 50 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2kb4 s VAL 50 CO 0.03 0.38 0.55 -0.69 0.00 0.00 0.00 175.10 175.36 2kb4 s VAL 51 N 1.26 4.98 -0.12 2.92 1.01 -0.05 -0.04 120.40 130.36 2kb4 s VAL 51 Ca 0.02 0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.44 2kb4 s VAL 51 Cb -0.15 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 2kb4 s VAL 51 CO -0.10 -0.26 0.38 1.17 0.00 0.00 0.00 175.10 176.28 2kb4 n LYS 52 N 5.83 0.67 -3.76 2.72 3.00 -0.80 -3.01 118.16 122.82 2kb4 n LYS 52 Ca -0.04 0.21 -0.19 0.00 -0.00 0.00 0.00 58.31 58.28 2kb4 n LYS 52 Cb 0.49 -1.69 -0.17 0.00 0.00 0.00 0.00 35.03 33.66 2kb4 n LYS 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kb4 s ARG 53 N -2.56 0.16 0.00 1.64 0.52 -1.14 -4.96 118.95 112.61 2kb4 s ARG 53 Ca -0.13 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 2kb4 s ARG 53 Cb 0.07 -0.58 0.00 0.00 0.52 0.00 0.00 34.95 34.96 2kb4 s ARG 53 CO 0.79 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.26 2kb4 n GLY 54 N 4.90 2.98 0.00 -3.53 0.00 -1.26 -1.01 105.19 107.27 2kb4 n GLY 54 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb4 n PRO 55 N 0.00 0.00 -0.25 1.61 -0.04 -1.26 -1.70 135.00 133.37 2kb4 n PRO 55 Ca 0.00 0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.93 2kb4 n PRO 55 Cb 0.00 -1.51 0.10 0.00 -0.04 0.00 0.00 33.50 32.05 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2kb4 h ASN 56 N 0.00 -0.58 0.00 3.54 4.21 -1.82 -3.41 115.58 117.52 2kb4 h ASN 56 Ca 0.00 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.72 2kb4 h ASN 56 Cb 0.02 0.42 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2kb4 h ASN 56 CO 0.00 -0.22 0.00 0.00 -1.29 0.00 0.00 177.43 175.92 2kb4 n ALA 57 N -3.12 1.59 -2.29 -0.83 0.00 -0.87 -4.11 120.51 110.88 2kb4 n ALA 57 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2kb4 n ALA 57 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N 0.09 0.09 3.62 0.00 0.00 -0.69 -5.00 105.19 103.31 2kb4 n GLY 58 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 s ALA 59 N -2.53 -0.00 0.15 4.61 0.00 -1.16 -4.94 121.76 117.88 2kb4 s ALA 59 Ca 0.04 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2kb4 s ALA 59 Cb -0.02 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 2kb4 s ALA 59 CO 0.05 -0.87 0.03 -0.98 0.00 0.00 0.00 175.76 173.98 2kb4 s ARG 60 N -3.12 2.55 -0.06 0.00 1.70 -1.26 -0.87 118.95 117.88 2kb4 s ARG 60 Ca 0.23 -0.98 -0.04 0.00 -0.47 0.00 0.00 55.73 54.47 2kb4 s ARG 60 Cb -0.02 -2.47 0.03 0.00 -0.57 0.00 0.00 34.95 31.92 2kb4 s ARG 60 CO 0.14 0.48 0.14 0.12 -1.08 0.00 0.00 175.30 175.11 2kb4 s PHE 61 N -1.62 -0.16 -0.13 5.89 5.36 0.33 -4.98 117.98 122.67 2kb4 s PHE 61 Ca 0.28 0.43 -0.05 0.00 -0.96 0.00 0.00 56.93 56.63 2kb4 s PHE 61 Cb -0.10 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 2kb4 s PHE 61 CO 0.20 -0.13 0.05 -0.48 -1.46 0.00 0.00 175.22 173.40 2kb4 s LEU 62 N 0.71 3.84 -0.35 6.12 2.34 -1.26 -0.27 118.68 129.81 2kb4 s LEU 62 Ca -0.05 0.19 -0.27 0.00 0.06 0.00 0.00 54.13 54.05 2kb4 s LEU 62 Cb -0.07 -1.93 0.02 0.00 -0.56 0.00 0.00 46.19 43.65 2kb4 s LEU 62 CO -0.03 0.30 0.98 -0.76 -1.06 0.00 0.00 176.35 175.78 2kb4 s LEU 63 N -0.40 3.96 0.00 1.48 1.43 0.97 -4.78 118.68 121.34 2kb4 s LEU 63 Ca 0.09 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2kb4 s LEU 63 Cb -0.12 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2kb4 s LEU 63 CO 0.02 -0.87 0.79 -0.90 0.23 0.00 0.00 176.35 175.62 2kb4 n ASP 64 N 6.82 1.28 -4.14 2.29 5.75 -1.26 -3.67 116.55 123.63 2kb4 n ASP 64 Ca 0.09 -1.61 -0.18 0.00 -0.01 0.00 0.00 54.79 53.07 2kb4 n ASP 64 Cb 0.48 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.44 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb4 s GLN 65 N -0.61 0.82 0.10 0.11 -2.07 -1.26 -4.82 119.66 111.93 2kb4 s GLN 65 Ca 0.00 -0.81 -0.27 0.00 -1.82 0.00 0.00 55.36 52.47 2kb4 s GLN 65 Cb 0.00 -0.81 -0.11 0.00 -1.09 0.00 0.00 33.01 31.00 2kb4 s GLN 65 CO 0.00 0.19 1.66 -1.00 -1.32 0.00 0.00 175.29 174.82 2kb4 h PRO 66 N 4.70 -0.40 -3.80 9.60 0.13 -1.94 -3.42 132.00 136.86 2kb4 h PRO 66 Ca -0.38 0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.23 2kb4 h PRO 66 Cb 1.19 0.09 -0.39 0.00 0.13 0.00 0.00 31.00 32.02 2kb4 h PRO 66 CO 0.42 -0.27 -0.77 0.99 -0.23 0.00 0.00 178.00 178.14 2kb4 s THR 67 N -6.10 0.85 -0.30 1.56 2.01 -1.26 -1.02 115.64 111.37 2kb4 s THR 67 Ca -0.15 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 2kb4 s THR 67 Cb 0.07 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2kb4 s THR 67 CO 0.65 -0.19 0.27 -0.89 -0.69 0.00 0.00 174.62 173.78 2kb4 s THR 68 N 1.70 5.25 0.03 -0.82 2.01 -0.33 -4.95 115.64 118.54 2kb4 s THR 68 Ca -0.02 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.12 2kb4 s THR 68 Cb -0.18 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2kb4 s THR 68 CO -0.08 0.11 0.13 0.28 -0.69 0.00 0.00 174.62 174.37 2kb4 s THR 69 N 1.87 5.00 -0.14 -0.82 -1.32 -1.26 -0.40 115.64 118.58 2kb4 s THR 69 Ca 0.09 -0.43 -0.03 0.00 -1.21 0.00 0.00 61.69 60.11 2kb4 s THR 69 Cb -0.16 -3.37 -0.03 0.00 -1.51 0.00 0.00 72.50 67.43 2kb4 s THR 69 CO 0.11 0.24 -0.02 0.00 -2.21 0.00 0.00 174.62 172.74 2kb4 s ALA 70 N -1.35 3.10 0.00 11.08 0.00 0.10 -0.64 121.76 134.06 2kb4 s ALA 70 Ca 0.28 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2kb4 s ALA 70 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2kb4 s ALA 70 CO 0.20 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2kb4 n GLY 71 N 3.16 3.32 2.71 0.00 0.00 -0.19 -1.51 105.19 112.68 2kb4 n GLY 71 Ca -0.18 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 0.79 -4.16 1.61 0.63 -1.18 -1.53 116.66 112.82 2kb4 n ARG 72 Ca 0.00 -1.58 -0.10 0.00 -0.92 0.00 0.00 57.85 55.25 2kb4 n ARG 72 Cb 0.00 -0.69 -0.10 0.00 0.45 0.00 0.00 32.46 32.12 2kb4 n ARG 72 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kb4 s HIS 73 N 0.20 0.90 0.46 -0.14 3.76 -1.26 -4.98 115.29 114.24 2kb4 s HIS 73 Ca 0.21 -1.21 0.26 0.00 -0.15 0.00 0.00 55.06 54.17 2kb4 s HIS 73 Cb 0.29 -0.51 1.30 0.00 1.11 0.00 0.00 32.58 34.78 2kb4 s HIS 73 CO -0.09 -0.48 1.80 -1.35 -0.85 0.00 0.00 174.74 173.77 2kb4 h PRO 74 N 2.85 0.20 -2.99 8.40 0.11 -2.00 -2.55 132.00 136.02 2kb4 h PRO 74 Ca -0.35 -0.01 -0.74 0.00 0.11 0.00 0.00 66.00 65.01 2kb4 h PRO 74 Cb 1.20 -0.05 -0.33 0.00 0.11 0.00 0.00 31.00 31.94 2kb4 h PRO 74 CO 0.60 0.14 0.23 0.39 -0.21 0.00 0.00 178.00 179.14 2kb4 n GLU 75 N -4.43 3.46 -3.69 1.05 1.02 -1.26 -4.93 120.64 111.87 2kb4 n GLU 75 Ca 0.24 -4.54 -0.14 0.00 -0.02 0.00 0.00 57.16 52.70 2kb4 n GLU 75 Cb 1.01 -2.44 -0.14 0.00 -0.02 0.00 0.00 31.44 29.85 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kb4 s SER 76 N -0.99 0.21 0.03 1.62 0.01 -0.96 -4.70 113.70 108.92 2kb4 s SER 76 Ca 0.32 0.52 -0.25 0.00 1.31 0.00 0.00 55.95 57.85 2kb4 s SER 76 Cb 0.01 0.53 -0.17 0.00 0.21 0.00 0.00 66.02 66.60 2kb4 s SER 76 CO -0.01 -0.21 1.42 0.44 0.41 0.00 0.00 173.24 175.28 2kb4 h ASP 77 N 7.93 -0.18 -1.31 2.44 3.32 -1.73 -3.46 116.42 123.43 2kb4 h ASP 77 Ca -0.23 -0.20 -0.64 0.00 0.02 0.00 0.00 57.03 55.98 2kb4 h ASP 77 Cb 1.13 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 2kb4 h ASP 77 CO 0.22 0.10 -0.51 0.27 -1.72 0.00 0.00 179.24 177.60 2kb4 s ILE 78 N -5.09 0.92 -0.04 0.35 -4.36 0.19 -4.98 121.20 108.19 2kb4 s ILE 78 Ca -0.15 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.30 2kb4 s ILE 78 Cb 0.03 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 2kb4 s ILE 78 CO 0.62 0.00 -0.22 -0.36 0.24 0.00 0.00 174.94 175.22 2kb4 s PHE 79 N -2.99 2.05 -0.09 1.37 0.08 -1.25 -1.02 117.98 116.12 2kb4 s PHE 79 Ca 0.11 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.66 2kb4 s PHE 79 Cb 0.01 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2kb4 s PHE 79 CO 0.07 -0.14 -0.21 -0.48 -0.10 0.00 0.00 175.22 174.37 2kb4 s LEU 80 N -0.23 2.31 -0.54 -0.37 2.34 -0.58 -4.11 118.68 117.49 2kb4 s LEU 80 Ca 0.01 -0.45 0.07 0.00 0.06 0.00 0.00 54.13 53.81 2kb4 s LEU 80 Cb -0.11 -1.47 0.25 0.00 -0.56 0.00 0.00 46.19 44.30 2kb4 s LEU 80 CO 0.02 0.20 0.65 -0.67 -1.06 0.00 0.00 176.35 175.49 2kb4 n ASP 81 N 3.27 2.33 -0.66 1.48 2.03 -1.26 -4.69 116.55 119.05 2kb4 n ASP 81 Ca -0.18 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2kb4 n ASP 81 Cb 0.53 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kb4 n ASP 82 N 1.09 1.71 -0.15 1.67 5.75 -1.26 -4.10 116.55 121.26 2kb4 n ASP 82 Ca 0.26 -0.36 -0.06 0.00 -0.01 0.00 0.00 54.79 54.63 2kb4 n ASP 82 Cb 0.46 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.66 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2kb4 h VAL 83 N 0.36 1.25 -3.41 2.12 2.07 -1.97 -3.38 116.25 113.28 2kb4 h VAL 83 Ca 0.00 -1.03 -0.64 0.00 0.82 0.00 0.00 66.70 65.85 2kb4 h VAL 83 Cb 0.00 0.80 -0.41 0.00 -1.52 0.00 0.00 31.29 30.17 2kb4 h VAL 83 CO 0.00 0.37 -0.68 -0.89 0.02 0.00 0.00 177.57 176.39 2kb4 s THR 84 N -5.05 2.24 -0.15 2.57 2.01 -1.26 -5.07 115.64 110.94 2kb4 s THR 84 Ca -0.10 -2.83 -0.02 0.00 0.31 0.00 0.00 61.69 59.05 2kb4 s THR 84 Cb 0.14 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2kb4 s THR 84 CO 0.83 -0.75 -0.08 0.54 -0.69 0.00 0.00 174.62 174.47 2kb4 s VAL 85 N 0.25 3.46 0.02 3.82 0.11 -1.26 -4.87 120.40 121.92 2kb4 s VAL 85 Ca 0.15 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2kb4 s VAL 85 Cb -0.23 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 2kb4 s VAL 85 CO -0.04 0.50 0.01 -1.20 -3.33 0.00 0.00 175.10 171.04 2kb4 n SER 86 N 3.66 1.33 0.00 3.54 7.64 -1.26 -4.97 113.62 123.56 2kb4 n SER 86 Ca -0.18 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.62 2kb4 n SER 86 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2kb4 n SER 86 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kb4 n ARG 87 N -0.42 0.00 -3.38 1.43 0.63 -1.26 -3.10 116.66 110.56 2kb4 n ARG 87 Ca -0.00 0.20 -0.44 0.00 -0.92 0.00 0.00 57.85 56.68 2kb4 n ARG 87 Cb 0.03 -0.72 -0.01 0.00 0.45 0.00 0.00 32.46 32.20 2kb4 n ARG 87 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2kb4 s ARG 88 N -0.47 3.94 0.00 -0.14 3.00 -1.26 -3.73 118.95 120.29 2kb4 s ARG 88 Ca 0.00 -3.05 0.00 0.00 -1.00 0.00 0.00 55.73 51.68 2kb4 s ARG 88 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 34.95 30.51 2kb4 s ARG 88 CO 0.00 -1.25 0.00 1.58 0.00 0.00 0.00 175.30 175.63 2kb4 n HIS 89 N 2.95 0.00 -4.29 5.12 -0.00 -0.57 -4.60 115.22 113.83 2kb4 n HIS 89 Ca 0.21 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.62 2kb4 n HIS 89 Cb 0.41 -0.29 -0.10 0.00 -0.00 0.00 0.00 29.99 30.01 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb4 s ALA 90 N -3.10 3.08 -0.08 1.57 0.00 -1.04 -0.81 121.76 121.37 2kb4 s ALA 90 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2kb4 s ALA 90 Cb 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.05 2kb4 s ALA 90 CO 0.00 0.65 -0.12 -1.21 0.00 0.00 0.00 175.76 175.08 2kb4 s GLU 91 N -1.91 1.76 -0.33 0.00 2.02 0.60 0.01 118.70 120.85 2kb4 s GLU 91 Ca 0.21 -0.41 -0.09 0.00 0.02 0.00 0.00 54.97 54.70 2kb4 s GLU 91 Cb -0.11 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.62 2kb4 s GLU 91 CO 0.12 -0.03 0.15 -0.06 0.02 0.00 0.00 175.26 175.46 2kb4 s PHE 92 N 0.87 3.20 0.08 1.61 0.08 0.47 -1.55 117.98 122.74 2kb4 s PHE 92 Ca -0.11 -0.88 0.09 0.00 0.12 0.00 0.00 56.93 56.16 2kb4 s PHE 92 Cb -0.15 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2kb4 s PHE 92 CO 0.01 -0.57 -0.23 1.03 -0.10 0.00 0.00 175.22 175.36 2kb4 s ARG 93 N 1.55 1.73 -0.23 0.44 0.52 0.52 -1.18 118.95 122.30 2kb4 s ARG 93 Ca 0.03 -1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 54.05 2kb4 s ARG 93 Cb -0.18 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.28 2kb4 s ARG 93 CO 0.05 0.49 -0.09 -1.50 0.02 0.00 0.00 175.30 174.28 2kb4 s ILE 94 N -0.97 2.81 0.08 1.52 -1.16 -0.19 -1.44 121.20 121.84 2kb4 s ILE 94 Ca 0.14 -0.90 0.09 0.00 -0.51 0.00 0.00 60.65 59.47 2kb4 s ILE 94 Cb -0.10 -2.35 -0.03 0.00 0.61 0.00 0.00 42.46 40.58 2kb4 s ILE 94 CO 0.05 0.31 -0.23 0.21 -2.81 0.00 0.00 174.94 172.48 2kb4 s ASN 95 N 1.35 3.50 0.67 4.50 3.84 -0.55 -4.69 114.94 123.55 2kb4 s ASN 95 Ca 0.02 -0.59 0.44 0.00 0.21 0.00 0.00 52.86 52.94 2kb4 s ASN 95 Cb -0.15 -0.40 2.40 0.00 -0.55 0.00 0.00 41.25 42.55 2kb4 s ASN 95 CO -0.06 0.22 2.35 1.05 -2.79 0.00 0.00 177.10 177.87 2kb4 h GLU 96 N 4.26 0.00 0.00 0.43 -0.00 -1.90 -1.66 114.58 115.71 2kb4 h GLU 96 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2kb4 h GLU 96 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2kb4 h GLU 96 CO 0.44 0.00 -0.02 0.78 -0.00 0.00 0.00 179.01 180.21 2kb4 h GLY 97 N 0.00 0.01 -0.56 1.06 0.00 -1.98 -3.51 103.07 98.10 2kb4 h GLY 97 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.42 2kb4 h GLY 97 CO -0.00 0.02 0.28 -2.21 0.00 0.00 0.00 176.54 174.63 2kb4 n GLU 98 N -4.63 0.04 -3.29 4.80 2.13 -0.63 -5.15 120.64 113.91 2kb4 n GLU 98 Ca -0.10 -0.20 -0.39 0.00 0.66 0.00 0.00 57.16 57.13 2kb4 n GLU 98 Cb 0.46 0.35 -0.06 0.00 0.27 0.00 0.00 31.44 32.47 2kb4 n GLU 98 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2kb4 s PHE 99 N -2.55 3.76 -0.03 4.31 0.40 -1.26 -1.48 117.98 121.13 2kb4 s PHE 99 Ca 0.09 1.21 0.02 0.00 -0.60 0.00 0.00 56.93 57.65 2kb4 s PHE 99 Cb -0.00 -2.49 0.00 0.00 0.51 0.00 0.00 43.02 41.04 2kb4 s PHE 99 CO -0.00 0.54 -0.09 -2.00 0.70 0.00 0.00 175.22 174.36 2kb4 s GLU 100 N -0.87 1.03 -0.14 0.44 2.12 -0.52 -1.20 118.70 119.55 2kb4 s GLU 100 Ca 0.28 -0.31 -0.00 0.00 0.36 0.00 0.00 54.97 55.30 2kb4 s GLU 100 Cb -0.19 -0.95 0.03 0.00 0.26 0.00 0.00 34.13 33.29 2kb4 s GLU 100 CO 0.18 0.10 -0.07 0.54 -0.54 0.00 0.00 175.26 175.47 2kb4 s VAL 101 N 0.25 1.10 -0.05 3.70 0.11 -0.77 -0.35 120.40 124.39 2kb4 s VAL 101 Ca -0.04 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.59 2kb4 s VAL 101 Cb -0.09 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 2kb4 s VAL 101 CO 0.01 0.26 -0.24 0.68 -3.33 0.00 0.00 175.10 172.48 2kb4 s VAL 102 N 1.66 1.94 -0.45 2.04 -7.23 -0.60 -1.48 120.40 116.28 2kb4 s VAL 102 Ca 0.03 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2kb4 s VAL 102 Cb -0.14 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.21 2kb4 s VAL 102 CO -0.08 0.54 0.39 -0.62 -0.31 0.00 0.00 175.10 175.02 2kb4 s ASP 103 N -0.15 6.15 0.00 4.85 -1.08 -0.05 -0.29 116.67 126.09 2kb4 s ASP 103 Ca -0.03 -1.07 0.17 0.00 -0.52 0.00 0.00 52.55 51.10 2kb4 s ASP 103 Cb -0.13 -2.19 0.48 0.00 -1.46 0.00 0.00 42.92 39.62 2kb4 s ASP 103 CO 0.03 -0.60 1.40 1.33 0.52 0.00 0.00 175.17 177.86 2kb4 n VAL 104 N 5.26 0.66 -0.02 1.11 0.24 0.01 -3.49 118.33 122.10 2kb4 n VAL 104 Ca -0.11 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.34 61.29 2kb4 n VAL 104 Cb 0.45 0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 33.08 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 1.34 -0.63 4.49 7.63 0.00 -1.07 -4.95 105.19 112.00 2kb4 n GLY 105 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -3.72 0.00 -0.28 1.61 7.64 -1.23 -4.59 113.62 113.06 2kb4 n SER 106 Ca -0.32 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.54 2kb4 n SER 106 Cb 0.96 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 64.25 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.00 0.81 0.00 -3.43 -0.00 -1.92 -3.19 115.31 107.58 2kb4 h LEU 107 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.76 2kb4 h LEU 107 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 2kb4 h LEU 107 CO 0.00 0.56 -0.68 -1.13 -0.00 0.00 0.00 178.44 177.19 2kb4 h ASN 108 N 0.96 0.00 -3.26 -0.43 -1.24 -1.90 -3.51 115.58 106.21 2kb4 h ASN 108 Ca 0.31 -0.55 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2kb4 h ASN 108 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 2kb4 h ASN 108 CO -0.11 1.17 -0.19 0.61 -1.29 0.00 0.00 177.43 177.61 2kb4 n GLY 109 N 1.54 -3.25 3.66 1.57 0.00 -1.21 -4.91 105.19 102.59 2kb4 n GLY 109 Ca -0.20 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.09 4.36 0.44 2.61 2.01 -1.26 -4.37 115.64 119.35 2kb4 s THR 110 Ca -0.03 1.65 0.06 0.00 0.31 0.00 0.00 61.69 63.68 2kb4 s THR 110 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 2kb4 s THR 110 CO 0.07 -0.15 0.18 -0.31 -0.69 0.00 0.00 174.62 173.73 2kb4 s TYR 111 N 3.44 2.40 -0.04 4.92 2.02 0.22 -4.51 117.35 125.79 2kb4 s TYR 111 Ca 0.53 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 2kb4 s TYR 111 Cb -0.20 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 2kb4 s TYR 111 CO 0.13 0.12 0.22 0.08 -1.57 0.00 0.00 175.55 174.52 2kb4 s VAL 112 N -2.66 5.38 0.43 0.71 1.01 -0.19 0.09 120.40 125.18 2kb4 s VAL 112 Ca 0.36 0.18 0.30 0.00 0.00 0.00 0.00 61.98 62.83 2kb4 s VAL 112 Cb 0.03 -3.51 0.48 0.00 0.00 0.00 0.00 36.38 33.38 2kb4 s VAL 112 CO 0.20 0.47 1.58 -0.55 0.00 0.00 0.00 175.10 176.80 2kb4 h ASN 113 N 4.39 0.22 0.00 3.32 7.08 -1.47 -1.36 115.58 127.76 2kb4 h ASN 113 Ca -0.52 0.18 0.00 0.00 -3.08 0.00 0.00 56.30 52.88 2kb4 h ASN 113 Cb 1.21 0.18 0.00 0.00 -2.08 0.00 0.00 38.32 37.63 2kb4 h ASN 113 CO 0.63 -0.30 -0.37 -2.11 -2.08 0.00 0.00 177.43 173.20 2kb4 n ARG 114 N -4.84 4.56 -3.88 4.14 1.85 -1.26 -4.96 116.66 112.27 2kb4 n ARG 114 Ca 0.40 -0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.90 2kb4 n ARG 114 Cb 1.53 -0.71 -0.13 0.00 -1.05 0.00 0.00 32.46 32.09 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2kb4 s GLU 115 N -1.43 2.30 -0.67 2.89 0.41 -0.51 -5.05 118.70 116.63 2kb4 s GLU 115 Ca 0.00 -1.41 -0.25 0.00 -0.41 0.00 0.00 54.97 52.90 2kb4 s GLU 115 Cb 0.01 -3.28 0.05 0.00 -1.78 0.00 0.00 34.13 29.13 2kb4 s GLU 115 CO 0.06 -0.73 1.12 -1.25 -0.49 0.00 0.00 175.26 173.97 2kb4 s PRO 116 N 1.22 3.21 0.02 0.39 0.05 -1.26 -1.02 135.00 137.61 2kb4 s PRO 116 Ca -0.02 -0.40 -0.20 0.00 0.05 0.00 0.00 61.00 60.44 2kb4 s PRO 116 Cb -0.20 -4.16 0.04 0.00 0.05 0.00 0.00 34.50 30.22 2kb4 s PRO 116 CO -0.02 -1.90 0.44 -0.98 0.05 0.00 0.00 177.00 174.59 2kb4 s ARG 117 N 4.85 0.89 0.20 4.56 1.70 -1.26 -5.02 118.95 124.87 2kb4 s ARG 117 Ca 0.31 -0.22 0.12 0.00 -0.47 0.00 0.00 55.73 55.47 2kb4 s ARG 117 Cb -0.12 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 2kb4 s ARG 117 CO 0.15 -0.29 1.31 -2.95 -1.08 0.00 0.00 175.30 172.44 2kb4 h ASN 118 N 3.18 0.00 -4.12 -2.89 7.08 -1.93 -3.39 115.58 113.52 2kb4 h ASN 118 Ca -0.30 0.00 -0.48 0.00 -3.08 0.00 0.00 56.30 52.44 2kb4 h ASN 118 Cb 1.19 0.00 -0.29 0.00 -2.08 0.00 0.00 38.32 37.13 2kb4 h ASN 118 CO 0.42 0.70 -0.81 0.00 -2.08 0.00 0.00 177.43 175.65 2kb4 s ALA 119 N -2.86 1.15 0.02 4.14 0.00 -1.26 -0.87 121.76 122.07 2kb4 s ALA 119 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 2kb4 s ALA 119 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2kb4 s ALA 119 CO 0.78 0.26 -0.01 -1.14 0.00 0.00 0.00 175.76 175.65 2kb4 s GLN 120 N -0.23 0.31 -0.19 0.00 2.00 -0.55 -5.03 119.66 115.97 2kb4 s GLN 120 Ca 0.03 -0.56 -0.29 0.00 -2.00 0.00 0.00 55.36 52.54 2kb4 s GLN 120 Cb -0.06 0.11 0.00 0.00 0.80 0.00 0.00 33.01 33.86 2kb4 s GLN 120 CO -0.00 -0.05 1.06 0.54 -0.50 0.00 0.00 175.29 176.33 2kb4 s VAL 121 N -1.38 4.66 -0.24 1.34 0.11 -1.26 -1.84 120.40 121.79 2kb4 s VAL 121 Ca -0.15 1.98 -0.29 0.00 -2.93 0.00 0.00 61.98 60.59 2kb4 s VAL 121 Cb -0.09 -4.28 -0.02 0.00 -1.53 0.00 0.00 36.38 30.46 2kb4 s VAL 121 CO -0.01 -0.13 1.53 -0.32 -3.33 0.00 0.00 175.10 172.84 2kb4 s MET 122 N 2.92 3.83 -0.14 1.54 1.75 -0.34 -4.88 119.30 123.98 2kb4 s MET 122 Ca 0.46 1.55 -0.05 0.00 -1.25 0.00 0.00 55.69 56.41 2kb4 s MET 122 Cb -0.17 -3.99 -0.04 0.00 2.84 0.00 0.00 34.83 33.48 2kb4 s MET 122 CO 0.10 -1.24 0.04 -1.14 -0.65 0.00 0.00 175.02 172.13 2kb4 s GLN 123 N 4.52 3.51 0.04 4.11 2.00 -1.26 -4.45 119.66 128.13 2kb4 s GLN 123 Ca 0.67 -0.35 -0.30 0.00 -2.00 0.00 0.00 55.36 53.38 2kb4 s GLN 123 Cb -0.23 -3.03 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 2kb4 s GLN 123 CO 0.27 0.51 1.02 -0.08 -0.50 0.00 0.00 175.29 176.51 2kb4 s THR 124 N -0.30 4.61 0.00 -0.34 -1.32 -1.26 -3.29 115.64 113.73 2kb4 s THR 124 Ca 0.08 1.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.50 2kb4 s THR 124 Cb -0.12 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.62 2kb4 s THR 124 CO 0.02 0.19 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2kb4 n GLY 125 N 2.76 0.88 3.68 6.08 0.00 0.13 -4.91 105.19 113.80 2kb4 n GLY 125 Ca 0.05 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -2.54 4.19 -0.20 1.61 -1.08 -1.18 -4.97 116.67 112.49 2kb4 s ASP 126 Ca 0.00 -1.18 -0.02 0.00 -0.52 0.00 0.00 52.55 50.82 2kb4 s ASP 126 Cb 0.00 -0.45 -0.00 0.00 -1.46 0.00 0.00 42.92 41.00 2kb4 s ASP 126 CO 0.00 -0.48 -0.09 -0.70 0.52 0.00 0.00 175.17 174.42 2kb4 s GLU 127 N -3.81 3.29 -0.15 4.34 2.56 -1.26 -1.86 118.70 121.81 2kb4 s GLU 127 Ca 0.38 -0.68 -0.04 0.00 0.00 0.00 0.00 54.97 54.63 2kb4 s GLU 127 Cb 0.06 -2.86 -0.03 0.00 2.00 0.00 0.00 34.13 33.30 2kb4 s GLU 127 CO 0.20 -0.15 -0.02 0.42 -0.56 0.00 0.00 175.26 175.16 2kb4 s ILE 128 N 1.30 4.09 -0.38 -3.70 1.01 0.12 -1.18 121.20 122.46 2kb4 s ILE 128 Ca 0.04 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 2kb4 s ILE 128 Cb -0.14 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.55 2kb4 s ILE 128 CO -0.04 0.50 0.26 -1.58 0.00 0.00 0.00 174.94 174.08 2kb4 s GLN 129 N 0.18 3.11 -0.56 2.79 0.74 0.11 -0.49 119.66 125.54 2kb4 s GLN 129 Ca -0.00 -0.91 -0.13 0.00 0.05 0.00 0.00 55.36 54.37 2kb4 s GLN 129 Cb -0.13 -3.86 0.14 0.00 1.10 0.00 0.00 33.01 30.26 2kb4 s GLN 129 CO 0.02 -0.64 0.48 0.96 -0.55 0.00 0.00 175.29 175.57 2kb4 s ILE 130 N 1.66 4.83 0.00 -2.34 -4.36 -0.04 -0.61 121.20 120.35 2kb4 s ILE 130 Ca 0.05 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 2kb4 s ILE 130 Cb -0.18 -4.11 0.00 0.00 1.25 0.00 0.00 42.46 39.42 2kb4 s ILE 130 CO 0.09 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 175.02 2kb4 n GLY 131 N 4.86 1.38 0.00 6.27 0.00 -1.26 -0.65 105.19 115.78 2kb4 n GLY 131 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 1.00 -3.29 1.61 5.02 -1.26 -4.96 118.16 116.29 2kb4 n LYS 132 Ca 0.00 -0.90 -0.20 0.00 -2.02 0.00 0.00 58.31 55.19 2kb4 n LYS 132 Cb 0.00 -0.89 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb4 s PHE 133 N -0.44 2.23 -0.07 2.13 0.08 0.17 -5.05 117.98 117.03 2kb4 s PHE 133 Ca 0.00 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.48 2kb4 s PHE 133 Cb 0.00 -2.21 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 2kb4 s PHE 133 CO 0.00 -0.55 -0.06 0.50 -0.10 0.00 0.00 175.22 175.01 2kb4 s ARG 134 N -4.37 1.13 -0.02 0.44 3.52 -0.18 -0.86 118.95 118.62 2kb4 s ARG 134 Ca 0.52 -0.16 0.06 0.00 -0.13 0.00 0.00 55.73 56.02 2kb4 s ARG 134 Cb -0.06 -1.17 -0.01 0.00 -1.56 0.00 0.00 34.95 32.15 2kb4 s ARG 134 CO 0.32 -0.15 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.28 2kb4 s LEU 135 N 1.29 2.03 -0.10 -0.88 0.20 0.35 -1.91 118.68 119.67 2kb4 s LEU 135 Ca -0.04 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 54.40 2kb4 s LEU 135 Cb -0.14 -1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.56 2kb4 s LEU 135 CO -0.02 0.24 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.53 2kb4 s VAL 136 N -0.44 3.77 -0.15 1.68 1.01 0.94 0.16 120.40 127.37 2kb4 s VAL 136 Ca 0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 2kb4 s VAL 136 Cb -0.08 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 2kb4 s VAL 136 CO -0.01 0.56 -0.13 0.12 0.00 0.00 0.00 175.10 175.64 2kb4 s PHE 137 N -0.40 2.81 -0.03 5.22 5.36 -0.78 -0.11 117.98 130.05 2kb4 s PHE 137 Ca 0.06 -0.87 0.02 0.00 -0.96 0.00 0.00 56.93 55.18 2kb4 s PHE 137 Cb -0.12 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.68 2kb4 s PHE 137 CO 0.02 -0.37 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.83 2kb4 s LEU 138 N 0.68 1.60 0.02 6.12 1.02 -0.09 0.19 118.68 128.22 2kb4 s LEU 138 Ca -0.07 -0.16 -0.13 0.00 0.02 0.00 0.00 54.13 53.79 2kb4 s LEU 138 Cb -0.15 -0.49 -0.06 0.00 0.02 0.00 0.00 46.19 45.50 2kb4 s LEU 138 CO 0.02 0.01 0.41 0.00 0.02 0.00 0.00 176.35 176.81 2kb4 s ALA 139 N 0.52 3.70 0.00 4.21 0.00 -1.26 -0.13 121.76 128.80 2kb4 s ALA 139 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2kb4 s ALA 139 Cb -0.11 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2kb4 s ALA 139 CO 0.01 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2kb4 n GLY 140 N 1.56 -0.59 3.60 0.00 0.00 -1.22 -4.94 105.19 103.60 2kb4 n GLY 140 Ca -0.12 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 2kb4 n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 141 N 0.00 2.03 -3.71 1.61 -0.02 -1.25 -4.91 135.00 128.74 2kb4 n PRO 141 Ca 0.00 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 2kb4 n PRO 141 Cb 0.00 -3.11 -0.11 0.00 -0.02 0.00 0.00 33.50 30.26 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb4 s ALA 142 N 7.49 3.16 -2.00 3.55 0.00 -1.26 -3.70 121.76 129.00 2kb4 s ALA 142 Ca 1.00 -2.18 0.31 0.00 0.00 0.00 0.00 51.96 51.08 2kb4 s ALA 142 Cb -0.41 -2.45 1.82 0.00 0.00 0.00 0.00 23.12 22.08 2kb4 s ALA 142 CO 0.38 -1.62 2.15 0.39 0.00 0.00 0.00 175.76 177.06