#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 0.69 -0.99 6.12 4.64 -2.15 -3.48 113.55 118.39 2kb4 h SER 2 Ca 0.00 -0.85 -0.65 0.00 -0.47 0.00 0.00 61.79 59.82 2kb4 h SER 2 Cb 0.00 -0.22 -0.13 0.00 -0.31 0.00 0.00 62.40 61.74 2kb4 h SER 2 CO 0.00 1.69 -0.55 -1.81 -0.87 0.00 0.00 176.83 175.29 2kb4 s ASP 3 N -7.39 3.95 0.36 4.97 1.01 -1.26 -5.15 116.67 113.16 2kb4 s ASP 3 Ca -0.11 -1.55 0.04 0.00 0.71 0.00 0.00 52.55 51.64 2kb4 s ASP 3 Cb 0.05 0.18 -0.06 0.00 1.01 0.00 0.00 42.92 44.10 2kb4 s ASP 3 CO 0.90 -0.70 0.06 0.20 0.21 0.00 0.00 175.17 175.83 2kb4 s ASN 4 N -3.80 2.76 0.37 0.27 0.02 -1.26 -5.15 114.94 108.14 2kb4 s ASN 4 Ca 0.18 -1.42 0.08 0.00 -1.02 0.00 0.00 52.86 50.67 2kb4 s ASN 4 Cb 0.05 -0.04 -0.02 0.00 0.02 0.00 0.00 41.25 41.26 2kb4 s ASN 4 CO 0.09 -0.63 0.35 0.20 0.02 0.00 0.00 177.10 177.13 2kb4 s ASN 5 N -3.56 5.27 0.00 -1.22 -0.87 -1.26 -5.13 114.94 108.17 2kb4 s ASN 5 Ca 0.33 -0.56 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 2kb4 s ASN 5 Cb 0.08 -0.83 0.00 0.00 -0.02 0.00 0.00 41.25 40.48 2kb4 s ASN 5 CO 0.15 -0.49 0.00 0.61 -2.57 0.00 0.00 177.10 174.81 2kb4 n GLY 6 N -1.48 4.87 3.87 0.66 0.00 -1.26 -5.14 105.19 106.72 2kb4 n GLY 6 Ca 0.01 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 7 N -1.13 5.34 0.16 2.61 -1.32 -1.26 -5.04 115.64 114.99 2kb4 s THR 7 Ca 0.00 -0.06 -0.32 0.00 -1.21 0.00 0.00 61.69 60.10 2kb4 s THR 7 Cb 0.00 -3.42 -0.12 0.00 -1.51 0.00 0.00 72.50 67.45 2kb4 s THR 7 CO 0.00 0.45 1.73 -2.65 -2.21 0.00 0.00 174.62 171.94 2kb4 n PRO 8 N 1.40 2.60 -2.84 7.08 -0.02 -1.26 -4.94 135.00 137.01 2kb4 n PRO 8 Ca -0.15 0.94 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 2kb4 n PRO 8 Cb 0.54 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 2kb4 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb4 s GLU 9 N 1.73 4.41 0.48 -0.52 2.02 -1.26 -5.03 118.70 120.54 2kb4 s GLU 9 Ca 0.79 1.16 -0.19 0.00 0.02 0.00 0.00 54.97 56.74 2kb4 s GLU 9 Cb -0.55 -3.51 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 2kb4 s GLU 9 CO 0.36 -0.18 1.00 -1.25 0.02 0.00 0.00 175.26 175.21 2kb4 s PRO 10 N 1.57 3.94 -0.27 0.39 0.04 -1.26 -5.05 135.00 134.36 2kb4 s PRO 10 Ca 0.43 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2kb4 s PRO 10 Cb -0.18 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.29 2kb4 s PRO 10 CO 0.18 -0.29 -0.09 1.14 0.04 0.00 0.00 177.00 177.99 2kb4 s GLN 11 N -3.46 2.32 0.39 4.56 -2.07 -1.26 -5.10 119.66 115.04 2kb4 s GLN 11 Ca 0.63 -1.30 -0.04 0.00 -1.82 0.00 0.00 55.36 52.83 2kb4 s GLN 11 Cb -0.12 -2.95 -0.04 0.00 -1.09 0.00 0.00 33.01 28.81 2kb4 s GLN 11 CO 0.21 -0.57 0.66 0.54 -1.32 0.00 0.00 175.29 174.82 2kb4 s VAL 12 N 1.15 4.97 -0.08 3.63 0.11 -1.26 -5.06 120.40 123.87 2kb4 s VAL 12 Ca -0.07 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 2kb4 s VAL 12 Cb -0.20 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.79 2kb4 s VAL 12 CO -0.04 -0.60 0.46 -1.83 -3.33 0.00 0.00 175.10 169.75 2kb4 s GLU 13 N -4.22 4.22 -0.69 1.54 1.03 -1.26 -5.01 118.70 114.31 2kb4 s GLU 13 Ca 0.45 0.44 -0.09 0.00 0.03 0.00 0.00 54.97 55.80 2kb4 s GLU 13 Cb -0.10 -3.37 0.18 0.00 -0.80 0.00 0.00 34.13 30.04 2kb4 s GLU 13 CO 0.37 0.34 0.57 0.99 -1.33 0.00 0.00 175.26 176.19 2kb4 s THR 14 N 0.05 4.60 0.49 1.83 2.01 -1.26 -5.06 115.64 118.30 2kb4 s THR 14 Ca 0.25 -2.57 -0.07 0.00 0.31 0.00 0.00 61.69 59.61 2kb4 s THR 14 Cb -0.16 -3.92 0.11 0.00 0.01 0.00 0.00 72.50 68.54 2kb4 s THR 14 CO 0.11 -0.93 0.66 1.07 -0.69 0.00 0.00 174.62 174.85 2kb4 n THR 15 N 3.91 0.00 -0.59 -0.82 5.66 -1.26 -4.91 114.28 116.27 2kb4 n THR 15 Ca 0.08 -0.60 -0.04 0.00 -3.05 0.00 0.00 64.05 60.44 2kb4 n THR 15 Cb 0.42 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 2kb4 n THR 15 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kb4 n SER 16 N -3.33 5.56 0.00 1.09 7.64 -1.26 -4.33 113.62 118.99 2kb4 n SER 16 Ca 0.09 -2.54 0.15 0.00 1.01 0.00 0.00 58.87 57.58 2kb4 n SER 16 Cb 0.31 -1.13 0.87 0.00 -1.01 0.00 0.00 64.21 63.25 2kb4 n SER 16 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2kb4 n VAL 17 N 1.32 0.00 -3.88 0.44 3.14 -1.26 -4.72 118.33 113.36 2kb4 n VAL 17 Ca 0.07 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.17 2kb4 n VAL 17 Cb 0.53 -0.52 -0.03 0.00 -1.06 0.00 0.00 33.84 32.76 2kb4 n VAL 17 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2kb4 s PHE 18 N -2.00 3.49 0.12 1.45 0.08 -1.26 -5.08 117.98 114.78 2kb4 s PHE 18 Ca 0.44 0.21 -0.12 0.00 0.12 0.00 0.00 56.93 57.58 2kb4 s PHE 18 Cb 0.20 -1.74 -0.06 0.00 -0.57 0.00 0.00 43.02 40.85 2kb4 s PHE 18 CO 0.34 0.51 0.49 1.03 -0.10 0.00 0.00 175.22 177.49 2kb4 s ARG 19 N -3.03 3.89 -0.76 0.44 1.81 -1.26 -5.02 118.95 115.02 2kb4 s ARG 19 Ca 0.36 0.36 -0.19 0.00 -1.72 0.00 0.00 55.73 54.54 2kb4 s ARG 19 Cb -0.12 -2.96 0.12 0.00 -0.45 0.00 0.00 34.95 31.55 2kb4 s ARG 19 CO 0.28 0.51 0.94 0.00 -0.68 0.00 0.00 175.30 176.35 2kb4 s ALA 20 N -1.44 3.39 0.01 2.13 0.00 -1.26 -4.85 121.76 119.74 2kb4 s ALA 20 Ca 0.36 -2.45 -0.18 0.00 0.00 0.00 0.00 51.96 49.69 2kb4 s ALA 20 Cb -0.15 -3.81 -0.30 0.00 0.00 0.00 0.00 23.12 18.86 2kb4 s ALA 20 CO 0.19 -2.69 1.03 0.22 0.00 0.00 0.00 175.76 174.50 2kb4 h ASP 21 N 9.01 0.71 -2.57 0.00 3.58 -2.06 -3.38 116.42 121.71 2kb4 h ASP 21 Ca -0.08 -0.87 -0.68 0.00 0.42 0.00 0.00 57.03 55.83 2kb4 h ASP 21 Cb 1.05 -0.23 -0.17 0.00 1.72 0.00 0.00 39.33 41.71 2kb4 h ASP 21 CO 1.09 1.51 0.65 -0.22 -2.88 0.00 0.00 179.24 179.39 2kb4 s LEU 22 N -7.91 4.95 -0.43 2.28 1.98 -1.26 -4.98 118.68 113.31 2kb4 s LEU 22 Ca -0.11 -1.70 -0.28 0.00 -2.89 0.00 0.00 54.13 49.16 2kb4 s LEU 22 Cb 0.04 -2.39 0.02 0.00 0.66 0.00 0.00 46.19 44.52 2kb4 s LEU 22 CO 0.89 -1.16 1.04 -0.76 -1.89 0.00 0.00 176.35 174.47 2kb4 s LEU 23 N 3.01 3.83 0.53 -0.68 1.43 -1.26 -4.91 118.68 120.64 2kb4 s LEU 23 Ca 0.27 0.50 0.32 0.00 -1.03 0.00 0.00 54.13 54.19 2kb4 s LEU 23 Cb -0.10 -3.41 1.29 0.00 0.03 0.00 0.00 46.19 43.99 2kb4 s LEU 23 CO -0.02 -1.07 1.96 0.07 0.23 0.00 0.00 176.35 177.51 2kb4 h LYS 24 N 8.87 0.00 -6.31 1.70 5.09 -1.96 -3.47 116.57 120.49 2kb4 h LYS 24 Ca -0.23 0.00 -0.37 0.00 0.09 0.00 0.00 60.65 60.14 2kb4 h LYS 24 Cb 1.07 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.40 2kb4 h LYS 24 CO 1.06 0.04 -0.82 -0.85 -2.09 0.00 0.00 179.45 176.80 2kb4 n GLU 25 N -3.16 -1.13 -3.76 0.07 0.28 -1.26 -4.89 120.64 106.78 2kb4 n GLU 25 Ca 0.00 0.54 -0.35 0.00 -0.16 0.00 0.00 57.16 57.19 2kb4 n GLU 25 Cb 0.33 -1.62 -0.10 0.00 1.43 0.00 0.00 31.44 31.47 2kb4 n GLU 25 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2kb4 s MET 26 N -4.21 2.48 -0.07 3.44 1.75 -1.26 -4.97 119.30 116.46 2kb4 s MET 26 Ca 0.00 -2.60 -0.02 0.00 -1.25 0.00 0.00 55.69 51.82 2kb4 s MET 26 Cb -0.00 -3.65 0.03 0.00 2.84 0.00 0.00 34.83 34.05 2kb4 s MET 26 CO 0.66 -1.17 0.03 -2.00 -0.65 0.00 0.00 175.02 171.90 2kb4 s GLU 27 N -0.19 0.26 0.01 4.11 2.12 -1.26 -5.14 118.70 118.61 2kb4 s GLU 27 Ca 0.18 0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2kb4 s GLU 27 Cb -0.21 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.33 2kb4 s GLU 27 CO -0.03 -0.35 0.05 -1.12 -0.54 0.00 0.00 175.26 173.27 2kb4 s SER 28 N 2.07 0.11 0.07 -1.70 0.01 -1.26 -5.13 113.70 107.88 2kb4 s SER 28 Ca 0.05 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.71 2kb4 s SER 28 Cb -0.12 0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 2kb4 s SER 28 CO -0.05 -0.28 1.15 -0.44 0.41 0.00 0.00 173.24 174.03 2kb4 s SER 29 N -1.20 7.15 0.18 2.44 0.01 -1.26 -5.02 113.70 115.99 2kb4 s SER 29 Ca -0.13 1.98 0.02 0.00 1.31 0.00 0.00 55.95 59.13 2kb4 s SER 29 Cb -0.08 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 2kb4 s SER 29 CO 0.00 -0.40 -0.00 0.28 0.41 0.00 0.00 173.24 173.53 2kb4 s THR 30 N 0.85 0.74 -0.24 1.44 -1.32 -1.26 -5.16 115.64 110.69 2kb4 s THR 30 Ca 0.56 -1.99 -0.26 0.00 -1.21 0.00 0.00 61.69 58.79 2kb4 s THR 30 Cb -0.28 -2.13 0.09 0.00 -1.51 0.00 0.00 72.50 68.67 2kb4 s THR 30 CO 0.30 -0.47 0.81 -0.83 -2.21 0.00 0.00 174.62 172.22 2kb4 s GLY 31 N -3.19 -0.43 -0.16 6.08 0.00 -1.26 -5.13 107.32 103.23 2kb4 s GLY 31 Ca 0.24 2.12 -0.03 0.00 0.00 0.00 0.00 44.72 47.05 2kb4 s GLY 31 CO 0.04 1.65 -0.05 -1.59 0.00 0.00 0.00 173.10 173.15 2kb4 s THR 32 N 0.09 3.70 -0.12 0.90 2.01 -1.26 -5.09 115.64 115.87 2kb4 s THR 32 Ca -0.00 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 2kb4 s THR 32 Cb -0.04 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 2kb4 s THR 32 CO 0.00 0.49 0.53 0.00 -0.69 0.00 0.00 174.62 174.95 2kb4 s ALA 33 N 0.46 3.46 0.02 7.40 0.00 -1.26 -5.02 121.76 126.82 2kb4 s ALA 33 Ca -0.05 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 2kb4 s ALA 33 Cb -0.15 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 2kb4 s ALA 33 CO 0.03 -0.08 1.81 -2.14 0.00 0.00 0.00 175.76 175.38 2kb4 s PRO 34 N 0.81 4.16 -0.01 0.00 0.02 -1.26 -4.97 135.00 133.75 2kb4 s PRO 34 Ca 0.28 2.44 -0.22 0.00 0.02 0.00 0.00 61.00 63.52 2kb4 s PRO 34 Cb -0.16 -3.99 -0.05 0.00 0.02 0.00 0.00 34.50 30.33 2kb4 s PRO 34 CO 0.12 -0.88 0.65 0.00 -0.33 0.00 0.00 177.00 176.55 2kb4 s ALA 35 N 3.95 3.43 -0.10 -1.55 0.00 -1.26 -5.06 121.76 121.18 2kb4 s ALA 35 Ca 0.81 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 2kb4 s ALA 35 Cb -0.39 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 19.92 2kb4 s ALA 35 CO 0.36 0.10 0.33 -1.54 0.00 0.00 0.00 175.76 175.01 2kb4 s SER 36 N 0.02 -0.31 -0.30 0.00 1.04 -1.26 -5.13 113.70 107.76 2kb4 s SER 36 Ca 0.34 0.52 -0.12 0.00 0.48 0.00 0.00 55.95 57.17 2kb4 s SER 36 Cb -0.19 0.59 0.17 0.00 0.10 0.00 0.00 66.02 66.70 2kb4 s SER 36 CO 0.18 -0.21 0.93 0.28 0.98 0.00 0.00 173.24 175.40 2kb4 s THR 37 N -0.23 -0.56 -0.25 2.02 -1.32 -1.26 -5.05 115.64 108.99 2kb4 s THR 37 Ca -0.04 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 2kb4 s THR 37 Cb -0.03 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.04 2kb4 s THR 37 CO 0.01 0.00 0.05 -0.83 -2.21 0.00 0.00 174.62 171.64 2kb4 s GLY 38 N 2.69 0.93 0.55 6.08 0.00 -1.26 -4.99 107.32 111.32 2kb4 s GLY 38 Ca 0.01 -1.18 0.25 0.00 0.00 0.00 0.00 44.72 43.80 2kb4 s GLY 38 CO -0.16 1.44 2.18 0.00 0.00 0.00 0.00 173.10 176.56 2kb4 h ALA 39 N 8.15 1.60 0.00 3.20 0.00 -1.91 -2.15 119.26 128.14 2kb4 h ALA 39 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kb4 h ALA 39 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kb4 h ALA 39 CO 0.40 0.05 0.00 0.39 0.00 0.00 0.00 179.25 180.09 2kb4 n GLU 40 N -4.01 0.11 0.18 0.00 1.02 -1.26 -1.25 120.64 115.43 2kb4 n GLU 40 Ca -0.03 0.34 0.05 0.00 -0.02 0.00 0.00 57.16 57.50 2kb4 n GLU 40 Cb 0.13 -1.70 0.29 0.00 -0.02 0.00 0.00 31.44 30.14 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2kb4 h ASN 41 N 0.00 0.00 -3.73 1.62 -1.24 -1.81 -3.41 115.58 107.01 2kb4 h ASN 41 Ca 0.00 0.00 -0.66 0.00 0.71 0.00 0.00 56.30 56.35 2kb4 h ASN 41 Cb 0.32 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.19 2kb4 h ASN 41 CO 0.00 0.40 -0.40 -0.22 -1.29 0.00 0.00 177.43 175.92 2kb4 s LEU 42 N -7.01 4.38 0.07 0.34 2.96 -0.38 -5.01 118.68 114.03 2kb4 s LEU 42 Ca 0.00 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 2kb4 s LEU 42 Cb 0.11 -2.23 -0.14 0.00 0.50 0.00 0.00 46.19 44.42 2kb4 s LEU 42 CO 0.70 -0.24 1.47 -0.65 -1.32 0.00 0.00 176.35 176.31 2kb4 h PRO 43 N 8.44 -0.80 -4.12 0.98 0.11 -1.82 -3.25 132.00 131.54 2kb4 h PRO 43 Ca -0.31 0.05 -0.77 0.00 0.11 0.00 0.00 66.00 65.08 2kb4 h PRO 43 Cb 1.16 0.18 -0.23 0.00 0.11 0.00 0.00 31.00 32.22 2kb4 h PRO 43 CO 0.64 -0.53 0.81 0.00 -0.21 0.00 0.00 178.00 178.70 2kb4 s ALA 44 N -5.46 4.35 -0.59 -0.75 0.00 -1.26 -4.79 121.76 113.27 2kb4 s ALA 44 Ca -0.15 -3.57 -0.01 0.00 0.00 0.00 0.00 51.96 48.22 2kb4 s ALA 44 Cb 0.04 -3.81 0.41 0.00 0.00 0.00 0.00 23.12 19.76 2kb4 s ALA 44 CO 0.51 -2.47 2.02 0.41 0.00 0.00 0.00 175.76 176.24 2kb4 n GLY 45 N 3.46 5.45 3.94 0.00 0.00 -1.23 -4.94 105.19 111.88 2kb4 n GLY 45 Ca 0.28 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.41 6.28 0.10 1.61 0.01 -1.26 -4.55 113.70 114.47 2kb4 s SER 46 Ca 0.58 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.93 2kb4 s SER 46 Cb 0.46 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 2kb4 s SER 46 CO -0.00 0.01 0.04 0.00 0.41 0.00 0.00 173.24 173.69 2kb4 s ALA 47 N -1.83 0.63 0.01 1.44 0.00 -0.25 -1.87 121.76 119.88 2kb4 s ALA 47 Ca 0.34 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2kb4 s ALA 47 Cb -0.10 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2kb4 s ALA 47 CO 0.28 -0.45 -0.08 -0.48 0.00 0.00 0.00 175.76 175.04 2kb4 s LEU 48 N -2.98 2.07 -0.06 0.00 0.05 -0.22 0.47 118.68 118.01 2kb4 s LEU 48 Ca 0.16 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.10 2kb4 s LEU 48 Cb 0.07 -0.36 -0.03 0.00 -2.05 0.00 0.00 46.19 43.83 2kb4 s LEU 48 CO -0.04 0.03 -0.04 -1.48 -0.55 0.00 0.00 176.35 174.27 2kb4 s LEU 49 N -0.52 3.30 -0.21 1.48 0.05 -0.76 -1.99 118.68 120.02 2kb4 s LEU 49 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 54.13 54.21 2kb4 s LEU 49 Cb -0.05 -1.76 0.05 0.00 -2.05 0.00 0.00 46.19 42.38 2kb4 s LEU 49 CO 0.00 0.35 -0.10 -0.69 -0.55 0.00 0.00 176.35 175.36 2kb4 s VAL 50 N -0.87 1.73 -0.34 1.48 1.01 -0.27 -2.15 120.40 120.99 2kb4 s VAL 50 Ca 0.14 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 2kb4 s VAL 50 Cb -0.11 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2kb4 s VAL 50 CO 0.03 0.12 0.40 -0.69 0.00 0.00 0.00 175.10 174.95 2kb4 s VAL 51 N 1.34 5.14 0.18 2.92 1.01 -0.90 0.16 120.40 130.25 2kb4 s VAL 51 Ca -0.03 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2kb4 s VAL 51 Cb -0.17 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2kb4 s VAL 51 CO -0.08 -0.10 1.54 0.50 0.00 0.00 0.00 175.10 176.97 2kb4 h LYS 52 N 8.44 0.85 -1.14 2.72 1.63 -1.84 -3.35 116.57 123.89 2kb4 h LYS 52 Ca -0.29 -0.41 0.18 0.00 -0.85 0.00 0.00 60.65 59.28 2kb4 h LYS 52 Cb 1.14 -0.01 -0.31 0.00 -0.60 0.00 0.00 32.23 32.45 2kb4 h LYS 52 CO 0.71 1.05 0.84 0.50 -3.45 0.00 0.00 179.45 179.10 2kb4 s ARG 53 N -4.47 0.12 0.00 1.90 3.52 -1.25 -5.02 118.95 113.76 2kb4 s ARG 53 Ca -0.10 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2kb4 s ARG 53 Cb 0.12 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2kb4 s ARG 53 CO 0.86 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.74 2kb4 n GLY 54 N 1.41 3.51 0.00 8.12 0.00 -1.25 -2.93 105.19 114.04 2kb4 n GLY 54 Ca -0.09 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.83 0.07 0.17 1.61 -0.04 -1.26 -3.11 135.00 130.60 2kb4 n PRO 55 Ca 0.00 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.58 2kb4 n PRO 55 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kb4 h ASN 56 N 0.00 -0.36 -1.67 3.54 -0.73 -1.89 -1.14 115.58 113.33 2kb4 h ASN 56 Ca 0.00 -0.14 0.16 0.00 1.87 0.00 0.00 56.30 58.20 2kb4 h ASN 56 Cb 0.15 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 2kb4 h ASN 56 CO 0.00 -0.05 0.49 0.00 -0.37 0.00 0.00 177.43 177.50 2kb4 n ALA 57 N -2.42 -2.06 -2.69 1.57 0.00 -1.18 -4.36 120.51 109.37 2kb4 n ALA 57 Ca -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.69 2kb4 n ALA 57 Cb 0.25 0.24 0.12 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.54 1.60 1.47 0.00 0.00 -1.26 -3.96 105.19 102.50 2kb4 n GLY 58 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -0.90 -0.80 -3.44 4.61 0.00 -1.26 -4.98 120.51 113.74 2kb4 n ALA 59 Ca -0.07 -0.46 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 2kb4 n ALA 59 Cb 0.86 0.34 -0.16 0.00 0.00 0.00 0.00 19.45 20.49 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.03 0.61 0.05 0.00 3.03 -1.26 -2.12 118.95 117.24 2kb4 s ARG 60 Ca 0.07 -0.09 -0.23 0.00 2.03 0.00 0.00 55.73 57.52 2kb4 s ARG 60 Cb -0.02 -0.65 0.05 0.00 -1.03 0.00 0.00 34.95 33.30 2kb4 s ARG 60 CO 0.04 -0.04 0.53 -0.59 -1.13 0.00 0.00 175.30 174.11 2kb4 s PHE 61 N 0.68 -0.44 0.24 5.89 -0.12 -0.91 -4.99 117.98 118.33 2kb4 s PHE 61 Ca -0.08 0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 56.98 2kb4 s PHE 61 Cb -0.11 0.36 -0.09 0.00 -0.63 0.00 0.00 43.02 42.55 2kb4 s PHE 61 CO -0.00 -0.66 0.97 -0.48 -0.05 0.00 0.00 175.22 174.99 2kb4 s LEU 62 N -2.01 4.63 -0.17 -1.99 2.34 -1.26 -1.83 118.68 118.39 2kb4 s LEU 62 Ca -0.05 1.99 -0.09 0.00 0.06 0.00 0.00 54.13 56.04 2kb4 s LEU 62 Cb -0.01 -3.61 -0.05 0.00 -0.56 0.00 0.00 46.19 41.97 2kb4 s LEU 62 CO -0.02 0.10 0.14 -0.76 -1.06 0.00 0.00 176.35 174.75 2kb4 s LEU 63 N -1.16 4.27 -0.45 1.48 1.43 0.18 -4.95 118.68 119.48 2kb4 s LEU 63 Ca 0.42 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2kb4 s LEU 63 Cb -0.27 -2.09 0.19 0.00 0.03 0.00 0.00 46.19 44.04 2kb4 s LEU 63 CO 0.33 0.26 0.51 -0.67 0.23 0.00 0.00 176.35 177.01 2kb4 n ASP 64 N 2.98 -1.49 -3.80 2.29 2.03 -1.26 -1.09 116.55 116.22 2kb4 n ASP 64 Ca -0.17 -2.62 -0.13 0.00 0.52 0.00 0.00 54.79 52.39 2kb4 n ASP 64 Cb 0.53 0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 41.13 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kb4 s GLN 65 N 0.23 0.60 0.25 -0.67 -0.21 -1.26 -5.04 119.66 113.55 2kb4 s GLN 65 Ca 0.32 -0.25 -0.05 0.00 0.02 0.00 0.00 55.36 55.40 2kb4 s GLN 65 Cb 0.05 0.26 0.31 0.00 1.00 0.00 0.00 33.01 34.63 2kb4 s GLN 65 CO -0.15 -0.16 1.89 -1.35 -2.12 0.00 0.00 175.29 173.41 2kb4 h PRO 66 N 4.05 1.15 -3.88 2.91 0.11 -1.91 -3.32 132.00 131.11 2kb4 h PRO 66 Ca -0.30 -0.07 -0.60 0.00 0.11 0.00 0.00 66.00 65.14 2kb4 h PRO 66 Cb 1.18 -0.26 -0.40 0.00 0.11 0.00 0.00 31.00 31.63 2kb4 h PRO 66 CO 0.40 0.76 -0.75 0.99 -0.21 0.00 0.00 178.00 179.20 2kb4 s THR 67 N -6.08 1.27 -0.37 -1.15 2.01 -1.26 -1.33 115.64 108.73 2kb4 s THR 67 Ca -0.13 -1.66 -0.17 0.00 0.31 0.00 0.00 61.69 60.04 2kb4 s THR 67 Cb 0.18 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 2kb4 s THR 67 CO 0.81 -0.65 0.45 -0.89 -0.69 0.00 0.00 174.62 173.65 2kb4 s THR 68 N 1.42 5.07 -0.11 -0.82 2.01 0.11 -4.96 115.64 118.36 2kb4 s THR 68 Ca 0.10 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2kb4 s THR 68 Cb -0.18 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2kb4 s THR 68 CO -0.20 -0.23 -0.04 0.28 -0.69 0.00 0.00 174.62 173.73 2kb4 s THR 69 N 2.24 3.93 -0.09 -0.82 -1.32 -1.26 0.10 115.64 118.43 2kb4 s THR 69 Ca 0.15 -0.37 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 2kb4 s THR 69 Cb -0.16 -2.67 -0.00 0.00 -1.51 0.00 0.00 72.50 68.16 2kb4 s THR 69 CO 0.13 0.56 -0.24 0.00 -2.21 0.00 0.00 174.62 172.86 2kb4 s ALA 70 N -0.34 2.18 0.00 11.08 0.00 -0.66 -0.29 121.76 133.74 2kb4 s ALA 70 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2kb4 s ALA 70 Cb -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2kb4 s ALA 70 CO 0.02 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2kb4 n GLY 71 N 3.34 -0.21 0.25 0.00 0.00 -1.25 -0.36 105.19 106.95 2kb4 n GLY 71 Ca -0.18 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 -3.80 1.61 3.00 0.70 -3.67 116.66 114.50 2kb4 n ARG 72 Ca 0.00 -0.49 -0.25 0.00 -0.00 0.00 0.00 57.85 57.11 2kb4 n ARG 72 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 32.46 32.11 2kb4 n ARG 72 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2kb4 s HIS 73 N 0.00 3.48 0.53 -0.14 -3.43 -0.55 -4.82 115.29 110.35 2kb4 s HIS 73 Ca 0.00 0.19 0.33 0.00 -0.80 0.00 0.00 55.06 54.79 2kb4 s HIS 73 Cb 0.00 -1.74 1.49 0.00 -1.43 0.00 0.00 32.58 30.90 2kb4 s HIS 73 CO 0.00 0.41 1.82 -1.00 -2.00 0.00 0.00 174.74 173.98 2kb4 h PRO 74 N 1.75 0.04 -0.56 -0.38 0.13 -1.99 -0.31 132.00 130.69 2kb4 h PRO 74 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kb4 h PRO 74 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kb4 h PRO 74 CO 0.66 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 2kb4 n GLU 75 N -4.25 2.55 -2.04 0.86 1.02 -1.26 -4.91 120.64 112.61 2kb4 n GLU 75 Ca 0.24 -1.87 -0.41 0.00 -0.02 0.00 0.00 57.16 55.09 2kb4 n GLU 75 Cb 1.13 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.87 6.68 0.05 1.62 0.01 -0.13 -4.69 113.70 116.37 2kb4 s SER 76 Ca 0.34 2.66 -0.20 0.00 1.31 0.00 0.00 55.95 60.06 2kb4 s SER 76 Cb 0.20 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.68 2kb4 s SER 76 CO 0.19 -0.67 1.40 -0.78 0.41 0.00 0.00 173.24 173.79 2kb4 h ASP 77 N 4.78 0.40 -3.91 2.44 1.82 -0.99 -3.43 116.42 117.54 2kb4 h ASP 77 Ca -0.46 -0.43 -0.57 0.00 -0.39 0.00 0.00 57.03 55.18 2kb4 h ASP 77 Cb 1.22 -0.11 -0.31 0.00 0.68 0.00 0.00 39.33 40.81 2kb4 h ASP 77 CO 0.76 0.74 -0.84 0.27 -1.61 0.00 0.00 179.24 178.56 2kb4 s ILE 78 N -4.52 1.45 -0.29 2.25 -0.00 -1.26 -5.09 121.20 113.74 2kb4 s ILE 78 Ca -0.14 -0.73 -0.09 0.00 -0.00 0.00 0.00 60.65 59.69 2kb4 s ILE 78 Cb 0.06 -1.24 -0.02 0.00 -0.00 0.00 0.00 42.46 41.25 2kb4 s ILE 78 CO 0.75 0.42 0.14 -0.36 -0.00 0.00 0.00 174.94 175.89 2kb4 s PHE 79 N 0.03 3.16 -0.25 1.37 0.40 -1.26 -3.76 117.98 117.67 2kb4 s PHE 79 Ca -0.04 -0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 55.67 2kb4 s PHE 79 Cb -0.11 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 2kb4 s PHE 79 CO 0.02 -0.38 0.75 -0.48 0.70 0.00 0.00 175.22 175.83 2kb4 s LEU 80 N 1.64 4.07 -1.47 -0.37 2.34 -1.24 -4.88 118.68 118.77 2kb4 s LEU 80 Ca 0.06 0.89 -0.08 0.00 0.06 0.00 0.00 54.13 55.05 2kb4 s LEU 80 Cb -0.16 -3.05 0.02 0.00 -0.56 0.00 0.00 46.19 42.44 2kb4 s LEU 80 CO 0.07 -0.46 2.65 -0.67 -1.06 0.00 0.00 176.35 176.88 2kb4 n ASP 81 N 5.89 8.22 -3.42 1.48 2.03 -0.43 -4.85 116.55 125.47 2kb4 n ASP 81 Ca 0.03 -2.85 -0.13 0.00 0.52 0.00 0.00 54.79 52.36 2kb4 n ASP 81 Cb 0.48 -1.47 0.06 0.00 -0.72 0.00 0.00 41.12 39.47 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kb4 n ASP 82 N 2.81 0.78 0.00 1.67 2.03 -1.26 -4.81 116.55 117.76 2kb4 n ASP 82 Ca 0.70 -1.64 0.00 0.00 0.52 0.00 0.00 54.79 54.36 2kb4 n ASP 82 Cb 0.25 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2kb4 n VAL 83 N -2.15 0.00 -0.62 5.18 3.14 -1.26 -4.61 118.33 118.01 2kb4 n VAL 83 Ca 0.09 -0.33 0.06 0.00 -2.96 0.00 0.00 64.34 61.21 2kb4 n VAL 83 Cb 0.32 1.11 0.15 0.00 -1.06 0.00 0.00 33.84 34.36 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2kb4 n THR 84 N -0.45 1.62 -2.99 1.55 -1.04 -1.26 -5.00 114.28 106.71 2kb4 n THR 84 Ca 0.00 -1.59 -0.40 0.00 -2.04 0.00 0.00 64.05 60.02 2kb4 n THR 84 Cb 0.03 0.08 -0.06 0.00 -1.82 0.00 0.00 70.33 68.56 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kb4 s VAL 85 N -2.04 4.47 0.80 12.58 0.11 -1.26 -4.70 120.40 130.37 2kb4 s VAL 85 Ca 0.26 1.68 -0.12 0.00 -2.93 0.00 0.00 61.98 60.87 2kb4 s VAL 85 Cb 0.20 -4.13 0.07 0.00 -1.53 0.00 0.00 36.38 30.99 2kb4 s VAL 85 CO 0.07 0.48 1.12 -0.44 -3.33 0.00 0.00 175.10 173.00 2kb4 s SER 86 N -0.86 4.54 0.27 3.54 0.01 -1.26 -4.85 113.70 115.09 2kb4 s SER 86 Ca 0.36 1.11 -0.03 0.00 1.31 0.00 0.00 55.95 58.71 2kb4 s SER 86 Cb -0.22 -1.79 0.36 0.00 0.21 0.00 0.00 66.02 64.58 2kb4 s SER 86 CO 0.25 -1.92 1.84 0.03 0.41 0.00 0.00 173.24 173.85 2kb4 h ARG 87 N -1.06 0.94 -4.61 12.44 2.47 -1.91 -2.50 114.38 120.15 2kb4 h ARG 87 Ca -0.47 -0.17 -0.59 0.00 -1.26 0.00 0.00 59.98 57.49 2kb4 h ARG 87 Cb 1.29 -0.15 -0.36 0.00 -1.65 0.00 0.00 29.97 29.09 2kb4 h ARG 87 CO 0.62 0.79 -0.83 -0.98 0.56 0.00 0.00 179.97 180.13 2kb4 s ARG 88 N -5.38 2.19 -0.06 0.04 3.03 -1.26 -0.21 118.95 117.30 2kb4 s ARG 88 Ca -0.11 -0.54 -0.08 0.00 2.03 0.00 0.00 55.73 57.04 2kb4 s ARG 88 Cb 0.16 -2.06 -0.03 0.00 -1.03 0.00 0.00 34.95 31.99 2kb4 s ARG 88 CO 0.81 -0.25 -0.16 1.58 -1.13 0.00 0.00 175.30 176.14 2kb4 n HIS 89 N 4.79 0.00 -3.79 5.89 -0.00 0.51 -3.92 115.22 118.70 2kb4 n HIS 89 Ca -0.16 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.78 2kb4 n HIS 89 Cb 0.50 -0.23 -0.17 0.00 -0.12 0.00 0.00 29.99 29.96 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -2.63 0.79 -0.19 1.57 0.00 -0.82 0.07 121.76 120.56 2kb4 s ALA 90 Ca -0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2kb4 s ALA 90 Cb 0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2kb4 s ALA 90 CO 0.20 -0.49 0.05 -1.21 0.00 0.00 0.00 175.76 174.30 2kb4 s GLU 91 N 1.93 3.87 -0.26 0.00 2.02 0.23 -1.65 118.70 124.85 2kb4 s GLU 91 Ca 0.05 -0.39 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 2kb4 s GLU 91 Cb -0.13 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 2kb4 s GLU 91 CO -0.06 0.18 0.08 -0.06 0.02 0.00 0.00 175.26 175.43 2kb4 s PHE 92 N 0.61 3.10 0.11 1.61 0.08 0.11 -0.72 117.98 122.88 2kb4 s PHE 92 Ca 0.02 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 56.78 2kb4 s PHE 92 Cb -0.13 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2kb4 s PHE 92 CO 0.02 -0.35 -0.24 0.50 -0.10 0.00 0.00 175.22 175.05 2kb4 s ARG 93 N 1.63 1.61 -0.14 0.44 3.52 0.77 0.08 118.95 126.85 2kb4 s ARG 93 Ca 0.06 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.42 2kb4 s ARG 93 Cb -0.15 -1.99 -0.01 0.00 -1.56 0.00 0.00 34.95 31.23 2kb4 s ARG 93 CO 0.04 0.47 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.36 2kb4 s ILE 94 N -1.04 2.79 0.03 4.11 1.10 -0.44 -0.74 121.20 127.01 2kb4 s ILE 94 Ca 0.15 -0.74 0.03 0.00 -0.51 0.00 0.00 60.65 59.58 2kb4 s ILE 94 Cb -0.10 -2.17 -0.04 0.00 0.15 0.00 0.00 42.46 40.30 2kb4 s ILE 94 CO 0.07 0.52 0.00 0.21 -2.11 0.00 0.00 174.94 173.63 2kb4 s ASN 95 N 0.59 5.09 0.55 4.50 3.84 0.06 -4.14 114.94 125.43 2kb4 s ASN 95 Ca -0.09 -0.07 0.28 0.00 0.21 0.00 0.00 52.86 53.19 2kb4 s ASN 95 Cb -0.16 -1.29 1.51 0.00 -0.55 0.00 0.00 41.25 40.76 2kb4 s ASN 95 CO 0.03 0.24 1.83 1.05 -2.79 0.00 0.00 177.10 177.46 2kb4 h GLU 96 N 4.01 0.00 0.00 0.43 9.09 -1.88 -2.88 114.58 123.35 2kb4 h GLU 96 Ca -0.48 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.67 2kb4 h GLU 96 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.23 2kb4 h GLU 96 CO 0.58 0.00 -1.91 0.41 0.05 0.00 0.00 179.01 178.15 2kb4 n GLY 97 N -1.22 -0.24 3.39 1.06 0.00 -1.26 -4.83 105.19 102.10 2kb4 n GLY 97 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -2.31 1.71 -0.12 1.61 8.01 -1.09 -5.15 118.70 121.37 2kb4 s GLU 98 Ca -0.22 -2.00 -0.04 0.00 0.01 0.00 0.00 54.97 52.72 2kb4 s GLU 98 Cb 0.07 -0.27 -0.04 0.00 -4.31 0.00 0.00 34.13 29.58 2kb4 s GLU 98 CO 0.33 -0.46 0.05 -0.06 0.01 0.00 0.00 175.26 175.13 2kb4 s PHE 99 N -3.45 3.28 -0.06 1.61 0.40 -1.26 -0.76 117.98 117.74 2kb4 s PHE 99 Ca 0.33 0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.90 2kb4 s PHE 99 Cb 0.04 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.70 2kb4 s PHE 99 CO 0.17 0.45 -0.10 -2.00 0.70 0.00 0.00 175.22 174.44 2kb4 s GLU 100 N -0.60 1.42 -0.13 0.44 2.12 0.08 -0.40 118.70 121.63 2kb4 s GLU 100 Ca 0.11 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.14 2kb4 s GLU 100 Cb -0.12 -1.22 -0.00 0.00 0.26 0.00 0.00 34.13 33.05 2kb4 s GLU 100 CO 0.02 -0.00 -0.18 0.54 -0.54 0.00 0.00 175.26 175.10 2kb4 s VAL 101 N 0.72 2.51 -0.17 3.70 0.11 -0.49 -0.17 120.40 126.61 2kb4 s VAL 101 Ca -0.14 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2kb4 s VAL 101 Cb -0.15 -2.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.68 2kb4 s VAL 101 CO 0.03 0.53 -0.18 0.68 -3.33 0.00 0.00 175.10 172.83 2kb4 s VAL 102 N 0.58 2.24 -0.15 2.04 -7.23 0.10 -1.24 120.40 116.75 2kb4 s VAL 102 Ca -0.10 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 58.92 2kb4 s VAL 102 Cb -0.16 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 2kb4 s VAL 102 CO 0.03 0.53 0.87 -0.62 -0.31 0.00 0.00 175.10 175.60 2kb4 s ASP 103 N 1.18 7.03 -0.07 4.85 2.15 0.16 -0.60 116.67 131.37 2kb4 s ASP 103 Ca 0.02 1.26 0.10 0.00 0.43 0.00 0.00 52.55 54.36 2kb4 s ASP 103 Cb -0.14 -2.48 0.15 0.00 -0.30 0.00 0.00 42.92 40.16 2kb4 s ASP 103 CO -0.09 -0.40 1.04 1.33 -0.17 0.00 0.00 175.17 176.88 2kb4 n VAL 104 N 4.64 1.17 -2.48 1.11 0.24 0.11 -4.71 118.33 118.41 2kb4 n VAL 104 Ca 0.05 -1.37 -0.19 0.00 -2.04 0.00 0.00 64.34 60.80 2kb4 n VAL 104 Cb 0.49 0.15 0.02 0.00 -1.47 0.00 0.00 33.84 33.03 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 -0.84 4.43 0.32 7.63 0.00 -0.62 -4.66 105.19 111.44 2kb4 n GLY 105 Ca 0.08 -2.17 0.18 0.00 0.00 0.00 0.00 46.02 44.11 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kb4 h SER 106 N 2.62 0.00 1.65 1.61 0.02 -1.86 -0.85 113.55 116.74 2kb4 h SER 106 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2kb4 h SER 106 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2kb4 h SER 106 CO 0.66 0.00 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.17 2kb4 h LEU 107 N 0.00 0.00 0.14 5.07 3.38 -1.97 -2.93 115.31 119.00 2kb4 h LEU 107 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 2kb4 h LEU 107 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2kb4 h LEU 107 CO -0.00 0.12 -1.39 -1.13 0.09 0.00 0.00 178.44 176.12 2kb4 h ASN 108 N 0.00 0.47 0.00 -0.43 -0.73 -1.43 -3.49 115.58 109.96 2kb4 h ASN 108 Ca -0.00 -0.56 0.00 0.00 1.87 0.00 0.00 56.30 57.61 2kb4 h ASN 108 Cb 0.97 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.41 2kb4 h ASN 108 CO 0.02 1.45 0.00 0.61 -0.37 0.00 0.00 177.43 179.13 2kb4 n GLY 109 N 1.61 0.24 3.59 1.57 0.00 -1.10 -4.23 105.19 106.88 2kb4 n GLY 109 Ca -0.13 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 5.30 0.12 2.61 2.01 -1.26 -0.63 115.64 123.79 2kb4 s THR 110 Ca 0.00 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2kb4 s THR 110 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2kb4 s THR 110 CO 0.00 0.24 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.69 2kb4 s TYR 111 N 1.77 1.59 -0.32 4.92 2.02 0.82 -4.16 117.35 123.99 2kb4 s TYR 111 Ca 0.08 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 2kb4 s TYR 111 Cb -0.16 -0.85 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 2kb4 s TYR 111 CO 0.11 0.19 0.14 0.08 -1.57 0.00 0.00 175.55 174.49 2kb4 s VAL 112 N -1.63 4.28 0.00 0.71 1.01 0.11 0.05 120.40 124.93 2kb4 s VAL 112 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2kb4 s VAL 112 Cb -0.08 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2kb4 s VAL 112 CO 0.04 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.91 2kb4 n ASN 113 N 4.93 0.00 0.00 3.32 2.85 0.57 -1.00 115.26 125.93 2kb4 n ASN 113 Ca -0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 2kb4 n ASN 113 Cb 0.47 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.49 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N 0.00 1.45 -4.34 1.20 5.12 -1.26 -4.72 116.66 114.11 2kb4 n ARG 114 Ca 0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 2kb4 n ARG 114 Cb 0.00 -0.12 -0.09 0.00 -1.16 0.00 0.00 32.46 31.09 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb4 s GLU 115 N 0.00 2.97 -0.83 5.56 0.41 -0.17 -5.00 118.70 121.65 2kb4 s GLU 115 Ca 0.00 -0.43 -0.25 0.00 -0.41 0.00 0.00 54.97 53.88 2kb4 s GLU 115 Cb 0.00 -2.79 -0.03 0.00 -1.78 0.00 0.00 34.13 29.53 2kb4 s GLU 115 CO 0.00 0.69 1.84 -1.25 -0.49 0.00 0.00 175.26 176.06 2kb4 s PRO 116 N -0.99 2.71 -0.43 0.39 0.04 -1.26 0.05 135.00 135.51 2kb4 s PRO 116 Ca 0.14 -0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 2kb4 s PRO 116 Cb -0.11 -4.86 0.11 0.00 0.04 0.00 0.00 34.50 29.67 2kb4 s PRO 116 CO 0.04 -3.02 0.25 1.03 0.04 0.00 0.00 177.00 175.34 2kb4 s ARG 117 N 6.76 2.21 0.18 4.56 1.81 -1.26 -4.95 118.95 128.26 2kb4 s ARG 117 Ca 0.65 -1.77 0.05 0.00 -1.72 0.00 0.00 55.73 52.94 2kb4 s ARG 117 Cb -0.08 -3.71 0.04 0.00 -0.45 0.00 0.00 34.95 30.75 2kb4 s ARG 117 CO 0.05 -1.10 1.41 -0.91 -0.68 0.00 0.00 175.30 174.07 2kb4 h ASN 118 N 8.21 0.17 -4.02 0.23 4.21 -1.91 -3.41 115.58 119.07 2kb4 h ASN 118 Ca -0.17 -0.14 -0.60 0.00 1.21 0.00 0.00 56.30 56.61 2kb4 h ASN 118 Cb 1.06 -0.05 -0.31 0.00 -1.12 0.00 0.00 38.32 37.90 2kb4 h ASN 118 CO 0.76 0.93 -0.85 0.00 -1.29 0.00 0.00 177.43 176.98 2kb4 s ALA 119 N -3.22 1.70 0.01 -0.83 0.00 -1.26 0.36 121.76 118.51 2kb4 s ALA 119 Ca -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 2kb4 s ALA 119 Cb 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2kb4 s ALA 119 CO 0.81 0.33 0.06 -1.14 0.00 0.00 0.00 175.76 175.83 2kb4 s GLN 120 N -0.10 0.37 -0.36 0.00 2.00 -0.37 -5.02 119.66 116.18 2kb4 s GLN 120 Ca -0.02 -0.43 -0.29 0.00 -2.00 0.00 0.00 55.36 52.63 2kb4 s GLN 120 Cb -0.11 0.15 0.02 0.00 0.80 0.00 0.00 33.01 33.86 2kb4 s GLN 120 CO 0.02 -0.08 1.12 0.54 -0.50 0.00 0.00 175.29 176.39 2kb4 s VAL 121 N -1.25 4.39 -0.07 1.34 0.11 -1.26 -1.40 120.40 122.26 2kb4 s VAL 121 Ca -0.14 1.56 -0.30 0.00 -2.93 0.00 0.00 61.98 60.18 2kb4 s VAL 121 Cb -0.08 -4.44 -0.05 0.00 -1.53 0.00 0.00 36.38 30.28 2kb4 s VAL 121 CO 0.00 -0.62 1.57 -0.32 -3.33 0.00 0.00 175.10 172.41 2kb4 s MET 122 N 3.92 4.20 -0.22 1.54 1.75 0.47 -4.93 119.30 126.02 2kb4 s MET 122 Ca 0.47 2.09 -0.08 0.00 -1.25 0.00 0.00 55.69 56.92 2kb4 s MET 122 Cb -0.11 -3.92 -0.04 0.00 2.84 0.00 0.00 34.83 33.60 2kb4 s MET 122 CO 0.20 -0.81 0.08 -1.14 -0.65 0.00 0.00 175.02 172.71 2kb4 s GLN 123 N 3.84 3.84 0.05 4.11 2.00 -1.26 -4.55 119.66 127.69 2kb4 s GLN 123 Ca 0.70 -0.39 -0.30 0.00 -2.00 0.00 0.00 55.36 53.36 2kb4 s GLN 123 Cb -0.31 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 2kb4 s GLN 123 CO 0.27 0.04 1.01 -0.08 -0.50 0.00 0.00 175.29 176.03 2kb4 s THR 124 N 1.02 4.59 0.00 -0.34 -1.32 -1.26 -3.47 115.64 114.86 2kb4 s THR 124 Ca 0.04 1.96 0.00 0.00 -1.21 0.00 0.00 61.69 62.48 2kb4 s THR 124 Cb -0.14 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.60 2kb4 s THR 124 CO 0.03 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 2kb4 n GLY 125 N 2.70 0.75 3.74 6.08 0.00 0.10 -4.95 105.19 113.61 2kb4 n GLY 125 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.99 4.43 0.01 1.61 -1.08 -1.23 -4.93 116.67 113.50 2kb4 s ASP 126 Ca 0.00 -1.07 0.03 0.00 -0.52 0.00 0.00 52.55 50.99 2kb4 s ASP 126 Cb 0.00 -0.48 -0.03 0.00 -1.46 0.00 0.00 42.92 40.94 2kb4 s ASP 126 CO 0.00 -0.54 -0.06 -1.83 0.52 0.00 0.00 175.17 173.26 2kb4 s GLU 127 N -3.91 2.55 -0.21 4.34 -1.05 -1.26 -1.32 118.70 117.84 2kb4 s GLU 127 Ca 0.41 -0.74 -0.06 0.00 -0.15 0.00 0.00 54.97 54.43 2kb4 s GLU 127 Cb 0.04 -2.51 -0.03 0.00 -0.44 0.00 0.00 34.13 31.19 2kb4 s GLU 127 CO 0.23 0.59 0.04 0.42 0.95 0.00 0.00 175.26 177.49 2kb4 s ILE 128 N -1.04 4.28 -0.32 1.83 1.01 0.14 -0.31 121.20 126.78 2kb4 s ILE 128 Ca 0.18 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 2kb4 s ILE 128 Cb -0.11 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 2kb4 s ILE 128 CO 0.09 0.41 0.32 -1.58 0.00 0.00 0.00 174.94 174.18 2kb4 s GLN 129 N 1.01 3.66 -0.43 2.79 2.00 0.11 -0.95 119.66 127.85 2kb4 s GLN 129 Ca 0.03 -0.38 -0.00 0.00 -2.00 0.00 0.00 55.36 53.01 2kb4 s GLN 129 Cb -0.14 -3.77 0.12 0.00 0.80 0.00 0.00 33.01 30.02 2kb4 s GLN 129 CO 0.02 -0.44 0.20 0.96 -0.50 0.00 0.00 175.29 175.54 2kb4 s ILE 130 N 1.95 3.03 0.00 -2.34 -4.36 0.14 -0.12 121.20 119.50 2kb4 s ILE 130 Ca 0.11 -2.38 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 2kb4 s ILE 130 Cb -0.16 -3.10 0.00 0.00 1.25 0.00 0.00 42.46 40.45 2kb4 s ILE 130 CO 0.11 -0.71 0.00 0.61 0.24 0.00 0.00 174.94 175.20 2kb4 n GLY 131 N 4.21 2.77 0.08 6.27 0.00 0.20 -2.09 105.19 116.62 2kb4 n GLY 131 Ca 0.02 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 8.60 0.63 -3.90 1.61 3.00 -1.26 -4.96 118.16 121.88 2kb4 n LYS 132 Ca 0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 58.31 58.13 2kb4 n LYS 132 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 35.03 33.31 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2kb4 s PHE 133 N -3.24 3.30 0.01 5.64 -0.71 -0.89 -5.04 117.98 117.05 2kb4 s PHE 133 Ca -0.04 -0.08 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 2kb4 s PHE 133 Cb 0.10 -1.63 -0.01 0.00 -1.21 0.00 0.00 43.02 40.28 2kb4 s PHE 133 CO 0.84 0.36 -0.05 -0.98 -1.34 0.00 0.00 175.22 174.05 2kb4 s ARG 134 N -3.99 0.36 -0.03 1.99 1.70 -1.15 -0.68 118.95 117.15 2kb4 s ARG 134 Ca 0.36 -0.38 0.07 0.00 -0.47 0.00 0.00 55.73 55.31 2kb4 s ARG 134 Cb -0.09 -0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.05 2kb4 s ARG 134 CO 0.29 0.05 -0.23 -1.17 -1.08 0.00 0.00 175.30 173.15 2kb4 s LEU 135 N -0.72 2.04 -0.16 -1.89 0.20 -0.12 -2.84 118.68 115.18 2kb4 s LEU 135 Ca -0.04 -0.43 -0.05 0.00 0.69 0.00 0.00 54.13 54.29 2kb4 s LEU 135 Cb -0.05 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 2kb4 s LEU 135 CO -0.00 0.27 0.00 -0.69 -0.29 0.00 0.00 176.35 175.64 2kb4 s VAL 136 N -0.41 4.27 -0.19 1.68 1.01 0.12 0.26 120.40 127.14 2kb4 s VAL 136 Ca 0.05 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2kb4 s VAL 136 Cb -0.10 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2kb4 s VAL 136 CO 0.00 0.49 0.06 0.12 0.00 0.00 0.00 175.10 175.77 2kb4 s PHE 137 N 0.29 3.21 0.09 5.22 5.36 -0.44 -1.11 117.98 130.60 2kb4 s PHE 137 Ca -0.00 -0.02 0.06 0.00 -0.96 0.00 0.00 56.93 56.00 2kb4 s PHE 137 Cb -0.13 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2kb4 s PHE 137 CO 0.02 0.06 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.16 2kb4 s LEU 138 N 0.59 2.32 0.61 6.12 2.01 -0.84 0.00 118.68 129.48 2kb4 s LEU 138 Ca 0.03 -0.69 -0.19 0.00 0.01 0.00 0.00 54.13 53.29 2kb4 s LEU 138 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 46.19 45.40 2kb4 s LEU 138 CO 0.01 -0.05 1.26 0.00 1.01 0.00 0.00 176.35 178.58 2kb4 s ALA 139 N -1.44 2.51 1.01 4.21 0.00 -1.26 -1.05 121.76 125.73 2kb4 s ALA 139 Ca 0.03 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 2kb4 s ALA 139 Cb -0.09 -3.51 0.19 0.00 0.00 0.00 0.00 23.12 19.72 2kb4 s ALA 139 CO 0.03 -1.35 1.09 0.20 0.00 0.00 0.00 175.76 175.73 2kb4 s GLY 140 N -1.44 1.57 0.33 0.00 0.00 -0.78 -4.27 107.32 102.73 2kb4 s GLY 140 Ca 0.79 -0.34 -0.28 0.00 0.00 0.00 0.00 44.72 44.89 2kb4 s GLY 140 CO 0.37 0.27 1.27 -1.55 0.00 0.00 0.00 173.10 173.46 2kb4 n PRO 141 N -4.21 2.04 -2.65 2.90 -0.04 -1.26 -4.86 135.00 126.92 2kb4 n PRO 141 Ca 0.05 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.81 2kb4 n PRO 141 Cb 0.57 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 142 N -1.04 2.96 -2.23 0.55 0.00 -1.26 -4.87 121.76 115.88 2kb4 s ALA 142 Ca 0.56 -1.19 0.30 0.00 0.00 0.00 0.00 51.96 51.63 2kb4 s ALA 142 Cb -0.59 -4.03 1.52 0.00 0.00 0.00 0.00 23.12 20.02 2kb4 s ALA 142 CO 0.61 -2.82 2.01 -1.91 0.00 0.00 0.00 175.76 173.65