#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl s PHE 25 N 0.00 3.30 0.41 6.34 5.36 -1.26 -4.98 117.98 127.14 2kkl s PHE 25 Ca 0.00 1.08 -0.24 0.00 -0.96 0.00 0.00 56.93 56.80 2kkl s PHE 25 Cb 0.00 -3.61 -0.09 0.00 -0.34 0.00 0.00 43.02 38.99 2kkl s PHE 25 CO 0.00 -2.04 1.09 1.03 -1.46 0.00 0.00 175.22 173.84 2kkl s ARG 26 N 0.93 4.07 0.00 10.12 0.52 -1.26 -4.83 118.95 128.50 2kkl s ARG 26 Ca 0.62 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 2kkl s ARG 26 Cb -0.35 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.58 2kkl s ARG 26 CO 0.31 -0.25 0.00 0.00 0.02 0.00 0.00 175.30 175.38 2kkl n ALA 27 N -0.12 0.00 0.10 2.13 0.00 -1.26 -5.05 120.51 116.31 2kkl n ALA 27 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kkl n ALA 27 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2kkl n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kkl n ASP 28 N -1.11 -0.66 -4.57 0.00 2.03 -1.26 -5.02 116.55 105.96 2kkl n ASP 28 Ca 0.00 0.34 -0.30 0.00 0.52 0.00 0.00 54.79 55.36 2kkl n ASP 28 Cb 0.00 0.77 0.21 0.00 -0.72 0.00 0.00 41.12 41.38 2kkl n ASP 28 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2kkl s PHE 29 N -1.56 1.47 0.00 -0.67 -0.71 -1.26 -3.72 117.98 111.54 2kkl s PHE 29 Ca 0.00 1.47 0.00 0.00 -1.04 0.00 0.00 56.93 57.36 2kkl s PHE 29 Cb 0.00 -3.21 0.00 0.00 -1.21 0.00 0.00 43.02 38.60 2kkl s PHE 29 CO 0.00 -3.39 0.00 1.28 -1.34 0.00 0.00 175.22 171.77 2kkl n LEU 30 N -4.61 0.00 -4.76 -1.99 4.77 -1.26 -4.75 117.00 104.40 2kkl n LEU 30 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 2kkl n LEU 30 Cb 0.53 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2kkl n LEU 30 CO 0.54 0.00 0.86 -0.44 -1.33 0.00 0.00 177.39 177.01 2kkl s SER 31 N -0.02 5.81 0.03 -1.43 0.01 -1.24 -4.91 113.70 111.94 2kkl s SER 31 Ca 0.00 2.39 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2kkl s SER 31 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2kkl s SER 31 CO 0.00 -1.17 0.00 1.21 0.41 0.00 0.00 173.24 173.69 2kkl n GLU 32 N -0.84 0.00 0.00 12.44 0.00 -1.26 -4.69 120.64 126.29 2kkl n GLU 32 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 2kkl n GLU 32 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.92 2kkl n GLU 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2kkl n LEU 33 N -2.58 0.52 -4.55 4.31 7.94 -1.26 -5.01 117.00 116.36 2kkl n LEU 33 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 2kkl n LEU 33 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 2kkl n LEU 33 CO 0.00 0.09 0.81 -1.81 -1.11 0.00 0.00 177.39 175.36 2kkl s ASP 34 N -2.53 6.45 -0.13 1.96 1.01 -1.26 -4.82 116.67 117.35 2kkl s ASP 34 Ca 0.00 -0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.22 2kkl s ASP 34 Cb 0.00 -2.46 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 2kkl s ASP 34 CO 0.00 -1.18 -0.13 0.00 0.21 0.00 0.00 175.17 174.07 2kkl n ALA 35 N 7.47 1.87 -1.76 5.23 0.00 -1.26 -4.96 120.51 127.08 2kkl n ALA 35 Ca 0.05 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 2kkl n ALA 35 Cb 0.48 0.25 0.02 0.00 0.00 0.00 0.00 19.45 20.20 2kkl n ALA 35 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kkl s PRO 36 N -2.25 3.61 0.00 0.00 0.02 -1.26 -4.93 135.00 130.20 2kkl s PRO 36 Ca -0.17 2.37 0.22 0.00 0.02 0.00 0.00 61.00 63.44 2kkl s PRO 36 Cb 0.05 -2.60 -0.15 0.00 0.02 0.00 0.00 34.50 31.83 2kkl s PRO 36 CO 0.27 -0.86 0.87 0.00 -0.33 0.00 0.00 177.00 176.95 2kkl n ALA 37 N -0.31 3.99 0.00 -1.55 0.00 -1.26 -4.77 120.51 116.60 2kkl n ALA 37 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2kkl n ALA 37 Cb 0.42 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2kkl n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kkl n GLN 38 N -1.76 0.00 -0.73 0.00 10.64 -1.26 -5.00 117.38 119.27 2kkl n GLN 38 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 2kkl n GLN 38 Cb 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.78 2kkl n GLN 38 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kkl n ALA 39 N -0.80 0.00 0.00 2.61 0.00 -1.26 -4.59 120.51 116.47 2kkl n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kkl n ALA 39 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2kkl n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 40 N -0.03 -1.08 3.51 0.00 0.00 -1.26 -4.94 105.19 101.38 2kkl n GLY 40 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kkl s THR 41 N -3.04 4.30 -0.29 2.61 -1.32 -1.26 -5.07 115.64 111.57 2kkl s THR 41 Ca 0.00 -0.19 -0.16 0.00 -1.21 0.00 0.00 61.69 60.13 2kkl s THR 41 Cb 0.00 -2.96 0.14 0.00 -1.51 0.00 0.00 72.50 68.17 2kkl s THR 41 CO 0.00 0.42 0.95 -1.83 -2.21 0.00 0.00 174.62 171.94 2kkl s GLU 42 N 0.94 0.41 0.44 7.08 -1.05 -1.26 -5.15 118.70 120.11 2kkl s GLU 42 Ca 0.03 0.71 -0.23 0.00 -0.15 0.00 0.00 54.97 55.32 2kkl s GLU 42 Cb -0.14 0.08 -0.08 0.00 -0.44 0.00 0.00 34.13 33.55 2kkl s GLU 42 CO 0.02 -0.09 1.12 -1.12 0.95 0.00 0.00 175.26 176.15 2kkl s SER 43 N 1.37 6.35 0.00 0.83 0.01 -1.26 -4.90 113.70 116.09 2kkl s SER 43 Ca -0.09 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2kkl s SER 43 Cb -0.04 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2kkl s SER 43 CO -0.15 -0.79 0.43 0.00 0.41 0.00 0.00 173.24 173.14 2kkl n ALA 44 N -0.40 1.55 0.60 1.44 0.00 -1.26 -4.93 120.51 117.52 2kkl n ALA 44 Ca 0.07 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2kkl n ALA 44 Cb 0.49 -0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 2kkl n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kkl n VAL 45 N 0.00 0.05 -2.01 0.00 0.31 -1.26 -4.95 118.33 110.47 2kkl n VAL 45 Ca -0.05 -0.21 -0.38 0.00 -0.01 0.00 0.00 64.34 63.69 2kkl n VAL 45 Cb 0.40 0.48 0.01 0.00 -0.91 0.00 0.00 33.84 33.82 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2kkl s SER 46 N -3.68 5.89 0.00 4.52 0.15 -1.26 -4.67 113.70 114.65 2kkl s SER 46 Ca 0.02 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.28 2kkl s SER 46 Cb 0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2kkl s SER 46 CO 0.86 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2kkl n GLY 47 N 0.61 -1.54 4.75 9.45 0.00 -1.26 -5.01 105.19 112.20 2kkl n GLY 47 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2kkl n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kkl n VAL 48 N 0.00 0.00 -1.68 1.61 0.31 -1.26 -4.88 118.33 112.42 2kkl n VAL 48 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 2kkl n VAL 48 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kkl n GLU 49 N 0.00 2.02 -2.89 5.55 1.02 -1.26 -3.91 120.64 121.17 2kkl n GLU 49 Ca 0.00 0.71 -0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2kkl n GLU 49 Cb 0.00 -2.28 -0.00 0.00 -0.02 0.00 0.00 31.44 29.13 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kkl n GLY 50 N 1.13 -2.75 2.44 0.62 0.00 -1.26 -4.98 105.19 100.39 2kkl n GLY 50 Ca 0.07 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 2kkl n GLY 50 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kkl n LEU 51 N 1.03 0.34 0.00 0.99 -0.00 -1.25 -5.11 117.00 113.00 2kkl n LEU 51 Ca -0.03 -4.60 -0.18 0.00 -0.00 0.00 0.00 56.01 51.21 2kkl n LEU 51 Cb 0.21 0.30 0.17 0.00 -0.00 0.00 0.00 43.42 44.10 2kkl n LEU 51 CO 0.28 1.88 0.28 -2.65 -0.00 0.00 0.00 177.39 177.18 2kkl n PRO 52 N 2.41 -3.11 -1.41 1.96 -0.02 -1.26 -4.71 135.00 128.86 2kkl n PRO 52 Ca 0.27 -0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 60.47 2kkl n PRO 52 Cb 0.46 -1.07 0.09 0.00 -0.02 0.00 0.00 33.50 32.96 2kkl n PRO 52 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2kkl s PRO 53 N -4.36 2.20 0.00 0.52 0.02 -1.26 -3.72 135.00 128.41 2kkl s PRO 53 Ca 0.41 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2kkl s PRO 53 Cb -0.06 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2kkl s PRO 53 CO 0.33 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.67 2kkl n GLY 54 N -0.14 3.19 3.27 0.52 0.00 -1.26 -5.03 105.19 105.74 2kkl n GLY 54 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2kkl n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkl s LEU 55 N 0.00 2.29 0.06 0.99 1.43 -1.24 -4.94 118.68 117.27 2kkl s LEU 55 Ca 0.00 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 2kkl s LEU 55 Cb 0.00 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.39 2kkl s LEU 55 CO 0.00 0.05 0.35 0.00 0.23 0.00 0.00 176.35 176.98 2kkl s ALA 56 N -1.14 -0.79 0.14 4.21 0.00 -1.26 -4.87 121.76 118.05 2kkl s ALA 56 Ca 0.06 0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.15 2kkl s ALA 56 Cb -0.10 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2kkl s ALA 56 CO 0.04 -0.48 -0.23 -0.51 0.00 0.00 0.00 175.76 174.58 2kkl s LEU 57 N -2.26 2.35 0.01 0.00 1.02 -1.05 -2.01 118.68 116.74 2kkl s LEU 57 Ca -0.03 -0.77 0.07 0.00 0.02 0.00 0.00 54.13 53.43 2kkl s LEU 57 Cb 0.00 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.14 2kkl s LEU 57 CO -0.05 0.10 -0.22 -0.76 0.02 0.00 0.00 176.35 175.44 2kkl s LEU 58 N -2.20 2.36 -0.07 1.79 1.43 -1.08 -2.65 118.68 118.27 2kkl s LEU 58 Ca 0.13 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2kkl s LEU 58 Cb -0.09 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.72 2kkl s LEU 58 CO 0.06 0.29 -0.14 -0.69 0.23 0.00 0.00 176.35 176.10 2kkl s VAL 59 N -0.77 1.29 0.02 -1.59 1.01 -1.10 -2.50 120.40 116.75 2kkl s VAL 59 Ca 0.12 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2kkl s VAL 59 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2kkl s VAL 59 CO 0.02 0.39 1.00 -0.69 0.00 0.00 0.00 175.10 175.81 2kkl s VAL 60 N 0.54 4.74 0.00 2.92 1.01 -1.08 -1.90 120.40 126.63 2kkl s VAL 60 Ca -0.14 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2kkl s VAL 60 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2kkl s VAL 60 CO 0.04 0.17 0.23 0.29 0.00 0.00 0.00 175.10 175.84 2kkl n LYS 61 N 3.76 0.00 -4.42 2.72 5.02 -0.91 -4.08 118.16 120.24 2kkl n LYS 61 Ca 0.06 0.18 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 2kkl n LYS 61 Cb 0.50 -0.85 -0.13 0.00 -0.02 0.00 0.00 35.03 34.54 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kkl s ARG 62 N -0.81 1.28 0.00 1.97 3.52 -1.26 -4.64 118.95 119.01 2kkl s ARG 62 Ca 0.00 -1.15 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 2kkl s ARG 62 Cb 0.00 -1.56 0.00 0.00 -1.56 0.00 0.00 34.95 31.83 2kkl s ARG 62 CO 0.00 0.37 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 2kkl n GLY 63 N 1.26 0.51 0.29 8.12 0.00 -1.26 -4.32 105.19 109.78 2kkl n GLY 63 Ca -0.19 -1.24 0.17 0.00 0.00 0.00 0.00 46.02 44.77 2kkl n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl h PRO 64 N 0.00 0.00 -0.36 1.61 0.13 -2.03 -2.09 132.00 129.26 2kkl h PRO 64 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2kkl h PRO 64 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2kkl h PRO 64 CO 0.00 0.04 0.02 0.27 -0.23 0.00 0.00 178.00 178.11 2kkl n ASN 65 N -3.21 3.52 -4.30 1.44 6.94 -1.26 -5.05 115.26 113.33 2kkl n ASN 65 Ca -0.01 -3.30 -0.43 0.00 -0.02 0.00 0.00 54.58 50.83 2kkl n ASN 65 Cb 0.25 -0.60 -0.01 0.00 -2.36 0.00 0.00 39.78 37.06 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kkl n ALA 66 N -0.70 -2.98 -0.63 -2.53 0.00 -0.79 -1.38 120.51 111.50 2kkl n ALA 66 Ca 0.28 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2kkl n ALA 66 Cb 1.01 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2kkl n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kkl n GLY 67 N 2.29 1.03 3.78 0.00 0.00 -1.26 -5.02 105.19 106.01 2kkl n GLY 67 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kkl s SER 68 N -3.06 6.45 0.04 1.61 0.01 -0.48 -4.92 113.70 113.35 2kkl s SER 68 Ca 0.00 2.18 0.03 0.00 1.31 0.00 0.00 55.95 59.46 2kkl s SER 68 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2kkl s SER 68 CO 0.00 -0.71 -0.09 -0.13 0.41 0.00 0.00 173.24 172.72 2kkl s ARG 69 N -2.61 0.61 0.05 12.44 0.52 -1.26 -2.65 118.95 126.06 2kkl s ARG 69 Ca 0.61 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 55.19 2kkl s ARG 69 Cb -0.25 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 2kkl s ARG 69 CO 0.31 0.11 -0.16 -0.06 0.02 0.00 0.00 175.30 175.52 2kkl s PHE 70 N -1.07 1.38 -0.19 -0.53 0.08 -1.04 -5.00 117.98 111.61 2kkl s PHE 70 Ca -0.05 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 2kkl s PHE 70 Cb -0.08 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2kkl s PHE 70 CO 0.01 0.07 0.05 -1.17 -0.10 0.00 0.00 175.22 174.07 2kkl s LEU 71 N -1.35 3.62 -1.19 -0.37 2.96 -1.26 -2.62 118.68 118.48 2kkl s LEU 71 Ca 0.02 -0.02 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 2kkl s LEU 71 Cb -0.09 -1.92 0.21 0.00 0.50 0.00 0.00 46.19 44.89 2kkl s LEU 71 CO 0.02 0.12 1.43 0.18 -1.32 0.00 0.00 176.35 176.78 2kkl n LEU 72 N 3.86 5.60 -1.01 -0.68 4.77 -0.85 -4.67 117.00 124.01 2kkl n LEU 72 Ca -0.17 -4.68 0.08 0.00 -0.03 0.00 0.00 56.01 51.21 2kkl n LEU 72 Cb 0.52 -1.54 0.26 0.00 -2.33 0.00 0.00 43.42 40.33 2kkl n LEU 72 CO 0.34 1.05 0.72 -0.67 -1.33 0.00 0.00 177.39 177.49 2kkl n ASP 73 N 4.34 3.94 -4.21 -1.43 2.03 -1.26 -4.12 116.55 115.83 2kkl n ASP 73 Ca 0.33 -2.68 -0.27 0.00 0.52 0.00 0.00 54.79 52.69 2kkl n ASP 73 Cb 0.40 -0.48 -0.16 0.00 -0.72 0.00 0.00 41.12 40.16 2kkl n ASP 73 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kkl s GLN 74 N -2.24 1.63 0.12 -0.67 0.74 -1.26 -5.04 119.66 112.94 2kkl s GLN 74 Ca 0.40 -0.72 -0.19 0.00 0.05 0.00 0.00 55.36 54.90 2kkl s GLN 74 Cb 0.29 -1.58 -0.05 0.00 1.10 0.00 0.00 33.01 32.77 2kkl s GLN 74 CO 0.13 0.43 1.76 0.00 -0.55 0.00 0.00 175.29 177.07 2kkl h ALA 75 N 5.64 0.31 -3.04 1.58 0.00 -1.95 -3.40 119.26 118.40 2kkl h ALA 75 Ca -0.39 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.83 2kkl h ALA 75 Cb 1.14 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.55 2kkl h ALA 75 CO 0.48 -0.20 -0.74 0.42 0.00 0.00 0.00 179.25 179.21 2kkl s ILE 76 N -6.08 3.22 -0.11 0.00 1.01 -1.26 -2.10 121.20 115.88 2kkl s ILE 76 Ca -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2kkl s ILE 76 Cb 0.09 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 40.13 2kkl s ILE 76 CO 0.70 0.45 -0.13 -0.89 0.00 0.00 0.00 174.94 175.07 2kkl s THR 77 N 1.34 1.33 0.20 2.92 2.01 -1.02 -4.98 115.64 117.43 2kkl s THR 77 Ca 0.04 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2kkl s THR 77 Cb -0.14 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2kkl s THR 77 CO -0.03 0.41 0.37 -0.44 -0.69 0.00 0.00 174.62 174.24 2kkl s SER 78 N 1.19 6.37 0.24 3.53 0.01 -1.26 -0.66 113.70 123.12 2kkl s SER 78 Ca -0.03 0.33 0.09 0.00 1.31 0.00 0.00 55.95 57.65 2kkl s SER 78 Cb -0.14 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 2kkl s SER 78 CO -0.04 -0.03 -0.04 0.00 0.41 0.00 0.00 173.24 173.54 2kkl s ALA 79 N -1.87 3.09 0.00 1.44 0.00 -1.07 -4.52 121.76 118.83 2kkl s ALA 79 Ca 0.37 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2kkl s ALA 79 Cb -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2kkl s ALA 79 CO 0.29 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.79 2kkl n GLY 80 N -0.61 1.89 3.52 0.00 0.00 -1.26 -4.42 105.19 104.31 2kkl n GLY 80 Ca -0.08 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 2kkl n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kkl s ARG 81 N 0.00 3.31 -0.33 1.61 0.52 -1.17 -4.31 118.95 118.58 2kkl s ARG 81 Ca 0.00 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 2kkl s ARG 81 Cb 0.00 -3.92 0.19 0.00 0.52 0.00 0.00 34.95 31.74 2kkl s ARG 81 CO 0.00 -0.86 1.03 -1.58 0.02 0.00 0.00 175.30 173.91 2kkl s HIS 82 N 2.49 -0.43 0.56 -0.53 2.46 -1.26 -4.61 115.29 113.98 2kkl s HIS 82 Ca 0.18 0.04 -0.20 0.00 0.47 0.00 0.00 55.06 55.55 2kkl s HIS 82 Cb -0.15 0.08 -0.06 0.00 -0.13 0.00 0.00 32.58 32.32 2kkl s HIS 82 CO 0.16 -0.30 0.99 -2.30 -2.47 0.00 0.00 174.74 170.83 2kkl n PRO 83 N 3.58 1.04 -0.20 2.88 -0.02 -1.26 -2.11 135.00 138.91 2kkl n PRO 83 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2kkl n PRO 83 Cb 0.63 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2kkl n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kkl n ASP 84 N -0.51 0.00 -4.80 2.55 -0.08 -1.26 -5.01 116.55 107.44 2kkl n ASP 84 Ca 0.12 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.05 2kkl n ASP 84 Cb 0.46 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.86 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2kkl s SER 85 N -3.61 6.99 0.23 1.67 0.01 -0.90 -4.95 113.70 113.15 2kkl s SER 85 Ca 0.00 1.84 -0.05 0.00 1.31 0.00 0.00 55.95 59.05 2kkl s SER 85 Cb 0.00 -2.57 0.24 0.00 0.21 0.00 0.00 66.02 63.90 2kkl s SER 85 CO 0.00 -0.32 1.77 0.44 0.41 0.00 0.00 173.24 175.53 2kkl h ASP 86 N 2.45 0.96 -3.33 2.44 3.32 -1.89 -3.41 116.42 116.97 2kkl h ASP 86 Ca -0.48 -0.19 -0.56 0.00 0.02 0.00 0.00 57.03 55.82 2kkl h ASP 86 Cb 1.20 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 2kkl h ASP 86 CO 0.62 0.92 0.35 -0.63 -1.72 0.00 0.00 179.24 178.79 2kkl s ILE 87 N -5.28 4.90 -0.35 0.35 1.01 -1.26 -4.78 121.20 115.79 2kkl s ILE 87 Ca -0.11 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.32 2kkl s ILE 87 Cb 0.15 -4.19 0.10 0.00 0.01 0.00 0.00 42.46 38.54 2kkl s ILE 87 CO 0.83 0.10 0.09 -0.36 0.00 0.00 0.00 174.94 175.60 2kkl s PHE 88 N 1.58 2.83 0.03 3.97 0.08 -1.26 -4.71 117.98 120.50 2kkl s PHE 88 Ca 0.43 -2.50 0.03 0.00 0.12 0.00 0.00 56.93 55.01 2kkl s PHE 88 Cb -0.18 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 2kkl s PHE 88 CO 0.18 -0.90 0.01 -0.51 -0.10 0.00 0.00 175.22 173.90 2kkl s LEU 89 N 1.07 3.53 0.00 -0.37 1.43 -1.26 -4.95 118.68 118.13 2kkl s LEU 89 Ca 0.11 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2kkl s LEU 89 Cb -0.19 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 43.95 2kkl s LEU 89 CO -0.14 0.24 0.60 -0.67 0.23 0.00 0.00 176.35 176.61 2kkl n ASP 90 N 1.05 0.00 -2.80 2.29 -0.08 -1.26 -4.74 116.55 111.02 2kkl n ASP 90 Ca -0.13 0.04 -0.13 0.00 -1.51 0.00 0.00 54.79 53.06 2kkl n ASP 90 Cb 0.52 -0.06 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 2kkl n ASP 90 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kkl n ASP 91 N -1.06 -2.92 0.23 1.67 5.75 -1.26 -4.77 116.55 114.19 2kkl n ASP 91 Ca 0.01 0.06 0.10 0.00 -0.01 0.00 0.00 54.79 54.95 2kkl n ASP 91 Cb 0.00 -2.51 0.54 0.00 -1.03 0.00 0.00 41.12 38.13 2kkl n ASP 91 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2kkl h VAL 92 N -0.29 0.63 0.00 2.12 -1.51 -1.93 -3.26 116.25 112.01 2kkl h VAL 92 Ca -0.26 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 2kkl h VAL 92 Cb 1.18 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2kkl h VAL 92 CO 0.32 0.21 -0.15 0.35 -1.23 0.00 0.00 177.57 177.07 2kkl n THR 93 N -3.53 0.12 -4.25 7.19 -2.24 -1.26 -5.06 114.28 105.24 2kkl n THR 93 Ca -0.01 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 2kkl n THR 93 Cb 0.37 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 2kkl n THR 93 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kkl s VAL 94 N -0.14 4.29 0.00 2.28 1.01 -1.23 -4.44 120.40 122.17 2kkl s VAL 94 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2kkl s VAL 94 Cb 0.01 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2kkl s VAL 94 CO 0.00 0.50 0.00 -1.54 0.00 0.00 0.00 175.10 174.06 2kkl n SER 95 N 3.33 -0.38 -0.34 3.32 3.41 -1.26 -4.74 113.62 116.96 2kkl n SER 95 Ca -0.17 -0.10 -0.03 0.00 -0.26 0.00 0.00 58.87 58.31 2kkl n SER 95 Cb 0.53 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.56 2kkl n SER 95 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2kkl h ARG 96 N 0.00 1.20 0.00 4.33 3.08 -1.92 -3.32 114.38 117.75 2kkl h ARG 96 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2kkl h ARG 96 Cb 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2kkl h ARG 96 CO 0.00 0.82 -0.34 0.54 -1.07 0.00 0.00 179.97 179.92 2kkl n ARG 97 N -4.43 0.00 0.00 0.04 1.74 -1.26 -3.04 116.66 109.71 2kkl n ARG 97 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2kkl n ARG 97 Cb 0.03 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 2kkl n ARG 97 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2kkl n HIS 98 N -1.98 0.00 -4.00 -1.55 -0.00 -1.26 -4.24 115.22 102.19 2kkl n HIS 98 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2kkl n HIS 98 Cb 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.06 2kkl n HIS 98 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kkl s ALA 99 N 0.00 0.19 0.01 1.57 0.00 -1.26 -3.99 121.76 118.27 2kkl s ALA 99 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2kkl s ALA 99 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2kkl s ALA 99 CO 0.00 -0.26 -0.02 -2.00 0.00 0.00 0.00 175.76 173.47 2kkl s GLU 100 N -2.51 0.19 -0.11 0.00 2.12 -1.01 -2.60 118.70 114.78 2kkl s GLU 100 Ca -0.06 -0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.00 2kkl s GLU 100 Cb -0.02 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 2kkl s GLU 100 CO -0.05 0.02 0.15 -0.06 -0.54 0.00 0.00 175.26 174.78 2kkl s PHE 101 N -0.37 3.60 0.00 5.30 0.08 0.17 -0.91 117.98 125.86 2kkl s PHE 101 Ca -0.03 0.53 0.04 0.00 0.12 0.00 0.00 56.93 57.59 2kkl s PHE 101 Cb -0.03 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2kkl s PHE 101 CO -0.00 0.73 -0.13 1.03 -0.10 0.00 0.00 175.22 176.75 2kkl s ARG 102 N -1.08 0.98 -0.21 0.44 1.81 -0.89 -2.43 118.95 117.57 2kkl s ARG 102 Ca 0.16 -0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 53.63 2kkl s ARG 102 Cb -0.12 -0.95 0.01 0.00 -0.45 0.00 0.00 34.95 33.43 2kkl s ARG 102 CO 0.05 0.25 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.65 2kkl s LEU 103 N -0.51 2.64 0.00 2.53 2.96 -0.89 -2.19 118.68 123.21 2kkl s LEU 103 Ca 0.04 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 2kkl s LEU 103 Cb -0.06 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 45.00 2kkl s LEU 103 CO -0.00 -0.02 0.00 -1.84 -1.32 0.00 0.00 176.35 173.17 2kkl n GLU 104 N 4.72 0.00 -0.96 1.98 0.28 -1.26 -4.92 120.64 120.48 2kkl n GLU 104 Ca -0.19 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.64 2kkl n GLU 104 Cb 0.50 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.38 2kkl n GLU 104 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2kkl n ASN 105 N -0.90 6.34 0.00 -1.84 5.03 -1.26 -4.75 115.26 117.89 2kkl n ASN 105 Ca 0.00 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.44 2kkl n ASN 105 Cb 0.00 -1.10 0.00 0.00 -1.02 0.00 0.00 39.78 37.66 2kkl n ASN 105 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2kkl n ASN 106 N 0.60 -0.86 -3.97 6.41 2.85 -1.26 -4.85 115.26 114.18 2kkl n ASN 106 Ca 0.31 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.69 2kkl n ASN 106 Cb 0.58 -2.34 -0.09 0.00 1.24 0.00 0.00 39.78 39.17 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2kkl s GLU 107 N -1.02 0.63 0.32 1.20 2.02 -1.26 -4.84 118.70 115.75 2kkl s GLU 107 Ca 0.00 -0.93 -0.28 0.00 0.02 0.00 0.00 54.97 53.78 2kkl s GLU 107 Cb 0.00 0.24 -0.09 0.00 0.10 0.00 0.00 34.13 34.38 2kkl s GLU 107 CO 0.00 -0.15 1.09 -0.06 0.02 0.00 0.00 175.26 176.16 2kkl s PHE 108 N -3.21 3.47 0.26 1.61 0.08 -1.26 -4.11 117.98 114.82 2kkl s PHE 108 Ca 0.00 1.68 0.02 0.00 0.12 0.00 0.00 56.93 58.75 2kkl s PHE 108 Cb 0.02 -3.26 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 2kkl s PHE 108 CO -0.07 -0.62 0.19 0.54 -0.10 0.00 0.00 175.22 175.15 2kkl s ASN 109 N -1.05 0.82 -0.05 1.36 2.20 -0.93 -1.32 114.94 115.97 2kkl s ASN 109 Ca 0.48 -1.54 0.04 0.00 -0.94 0.00 0.00 52.86 50.90 2kkl s ASN 109 Cb -0.30 0.44 -0.00 0.00 -2.00 0.00 0.00 41.25 39.40 2kkl s ASN 109 CO 0.38 -0.93 -0.17 0.54 -2.94 0.00 0.00 177.10 173.99 2kkl s VAL 110 N -3.85 1.40 -0.07 3.54 0.11 -0.72 -2.10 120.40 118.71 2kkl s VAL 110 Ca 0.39 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2kkl s VAL 110 Cb 0.05 -1.21 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2kkl s VAL 110 CO 0.18 0.41 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.52 2kkl s VAL 111 N 0.11 1.32 0.48 2.04 1.01 -0.08 -2.59 120.40 122.68 2kkl s VAL 111 Ca -0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2kkl s VAL 111 Cb -0.12 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.01 2kkl s VAL 111 CO 0.02 0.39 0.90 -0.62 0.00 0.00 0.00 175.10 175.79 2kkl s ASP 112 N 0.52 6.54 0.00 3.32 2.15 -1.12 -2.40 116.67 125.68 2kkl s ASP 112 Ca -0.14 1.36 0.24 0.00 0.43 0.00 0.00 52.55 54.44 2kkl s ASP 112 Cb -0.15 -2.42 0.24 0.00 -0.30 0.00 0.00 42.92 40.28 2kkl s ASP 112 CO 0.04 -0.53 1.23 1.33 -0.17 0.00 0.00 175.17 177.07 2kkl n VAL 113 N -1.58 0.00 -0.76 1.11 0.24 -1.26 -4.92 118.33 111.16 2kkl n VAL 113 Ca 0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2kkl n VAL 113 Cb 0.54 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 2kkl n VAL 113 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kkl n GLY 114 N 1.45 0.17 0.29 7.63 0.00 -1.26 -4.80 105.19 108.67 2kkl n GLY 114 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2kkl n GLY 114 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kkl h SER 115 N 0.00 0.87 -2.55 1.61 4.64 -1.91 -3.45 113.55 112.75 2kkl h SER 115 Ca 0.00 -0.11 0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2kkl h SER 115 Cb 0.30 -0.22 -0.29 0.00 -0.31 0.00 0.00 62.40 61.88 2kkl h SER 115 CO 0.00 0.73 0.61 -1.48 -0.87 0.00 0.00 176.83 175.82 2kkl s LEU 116 N -9.92 -0.29 -0.26 5.97 0.05 -1.26 -5.08 118.68 107.90 2kkl s LEU 116 Ca -0.13 0.51 -0.01 0.00 0.05 0.00 0.00 54.13 54.56 2kkl s LEU 116 Cb 0.14 1.50 0.00 0.00 -2.05 0.00 0.00 46.19 45.78 2kkl s LEU 116 CO 0.79 -0.09 0.01 0.59 -0.55 0.00 0.00 176.35 177.11 2kkl n ASN 117 N 2.54 -7.55 -4.78 1.48 3.02 -1.26 -4.89 115.26 103.83 2kkl n ASN 117 Ca -0.14 1.31 -0.41 0.00 -0.03 0.00 0.00 54.58 55.31 2kkl n ASN 117 Cb 0.57 -4.85 -0.01 0.00 -0.61 0.00 0.00 39.78 34.88 2kkl n ASN 117 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kkl s GLY 118 N -1.51 2.97 0.71 7.41 0.00 -1.26 -4.95 107.32 110.69 2kkl s GLY 118 Ca -0.01 1.45 -0.11 0.00 0.00 0.00 0.00 44.72 46.04 2kkl s GLY 118 CO 0.68 2.11 1.07 -1.59 0.00 0.00 0.00 173.10 175.38 2kkl s THR 119 N -1.13 3.81 0.10 0.90 2.01 -1.26 -5.02 115.64 115.04 2kkl s THR 119 Ca 0.51 0.59 -0.04 0.00 0.31 0.00 0.00 61.69 63.07 2kkl s THR 119 Cb -0.44 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2kkl s THR 119 CO 0.59 -0.77 0.08 -0.72 -0.69 0.00 0.00 174.62 173.11 2kkl s TYR 120 N -3.15 0.53 -0.12 4.92 -0.85 -1.26 -4.00 117.35 113.42 2kkl s TYR 120 Ca 0.58 -0.98 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 2kkl s TYR 120 Cb -0.13 -0.30 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 2kkl s TYR 120 CO 0.54 -0.50 -0.14 0.54 -1.52 0.00 0.00 175.55 174.47 2kkl s VAL 121 N -3.95 2.95 0.00 -3.49 0.11 -1.24 -4.53 120.40 110.25 2kkl s VAL 121 Ca 0.13 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2kkl s VAL 121 Cb 0.07 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 2kkl s VAL 121 CO -0.05 0.54 0.00 0.59 -3.33 0.00 0.00 175.10 172.84 2kkl n ASN 122 N 3.35 0.00 -2.79 3.54 3.02 -1.25 -0.10 115.26 121.03 2kkl n ASN 122 Ca -0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.35 2kkl n ASN 122 Cb 0.53 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.76 2kkl n ASN 122 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kkl n ARG 123 N 0.00 1.58 -3.23 3.52 1.85 -1.26 -4.99 116.66 114.13 2kkl n ARG 123 Ca 0.00 -3.07 -0.19 0.00 -1.00 0.00 0.00 57.85 53.59 2kkl n ARG 123 Cb 0.00 -1.20 -0.07 0.00 -1.05 0.00 0.00 32.46 30.14 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2kkl s GLU 124 N -2.99 0.88 0.14 2.89 2.02 0.85 -5.12 118.70 117.36 2kkl s GLU 124 Ca 0.24 -1.57 -0.34 0.00 0.02 0.00 0.00 54.97 53.33 2kkl s GLU 124 Cb 0.36 -0.92 -0.14 0.00 0.10 0.00 0.00 34.13 33.53 2kkl s GLU 124 CO -0.04 -1.33 1.62 -2.30 0.02 0.00 0.00 175.26 173.22 2kkl n PRO 125 N 3.19 2.19 -3.78 0.39 -0.02 -1.26 -3.73 135.00 131.98 2kkl n PRO 125 Ca 0.22 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2kkl n PRO 125 Cb 0.49 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2kkl n PRO 125 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kkl s VAL 126 N 1.28 0.08 0.24 -1.45 -7.23 -1.26 -4.97 120.40 107.10 2kkl s VAL 126 Ca 0.80 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.98 2kkl s VAL 126 Cb -0.67 -1.42 0.13 0.00 0.56 0.00 0.00 36.38 34.97 2kkl s VAL 126 CO 0.39 -0.37 1.76 -0.78 -0.31 0.00 0.00 175.10 175.79 2kkl h ASP 127 N 2.48 0.87 -5.02 4.85 1.82 -1.94 -3.44 116.42 116.04 2kkl h ASP 127 Ca -0.33 -0.19 -0.09 0.00 -0.39 0.00 0.00 57.03 56.04 2kkl h ASP 127 Cb 1.24 -0.23 -0.18 0.00 0.68 0.00 0.00 39.33 40.84 2kkl h ASP 127 CO 0.48 0.88 -0.11 -0.55 -1.61 0.00 0.00 179.24 178.34 2kkl s SER 128 N -6.57 -0.32 0.01 2.28 0.15 -1.26 -2.81 113.70 105.18 2kkl s SER 128 Ca -0.10 0.14 -0.17 0.00 0.70 0.00 0.00 55.95 56.51 2kkl s SER 128 Cb 0.15 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2kkl s SER 128 CO 0.82 -0.59 0.37 0.00 1.20 0.00 0.00 173.24 175.03 2kkl s ALA 129 N -1.95 -0.91 -0.05 5.45 0.00 -1.07 -5.01 121.76 118.23 2kkl s ALA 129 Ca -0.09 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 2kkl s ALA 129 Cb -0.02 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2kkl s ALA 129 CO 0.01 -0.35 0.76 0.08 0.00 0.00 0.00 175.76 176.26 2kkl s VAL 130 N -1.84 5.00 0.43 0.00 1.01 -1.26 -1.76 120.40 121.98 2kkl s VAL 130 Ca -0.10 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.23 2kkl s VAL 130 Cb -0.03 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 2kkl s VAL 130 CO 0.02 0.24 0.99 -0.76 0.00 0.00 0.00 175.10 175.58 2kkl s LEU 131 N 0.81 3.98 0.06 3.92 1.43 -0.44 -4.96 118.68 123.48 2kkl s LEU 131 Ca 0.40 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 2kkl s LEU 131 Cb -0.18 -4.45 0.01 0.00 0.03 0.00 0.00 46.19 41.60 2kkl s LEU 131 CO 0.20 -0.47 0.27 0.00 0.23 0.00 0.00 176.35 176.58 2kkl s ALA 132 N -2.00 -0.54 0.29 4.21 0.00 -1.26 -4.70 121.76 117.76 2kkl s ALA 132 Ca 0.62 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 2kkl s ALA 132 Cb -0.14 0.38 -0.12 0.00 0.00 0.00 0.00 23.12 23.24 2kkl s ALA 132 CO 0.18 -0.44 1.49 -1.71 0.00 0.00 0.00 175.76 175.28 2kkl n ASN 133 N 0.40 3.39 0.00 0.00 2.85 -1.26 -1.72 115.26 118.92 2kkl n ASN 133 Ca -0.18 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.46 2kkl n ASN 133 Cb 0.60 -1.53 0.00 0.00 1.24 0.00 0.00 39.78 40.09 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kkl n GLY 134 N 1.80 0.63 3.90 8.20 0.00 0.13 -4.97 105.19 114.89 2kkl n GLY 134 Ca 0.08 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2kkl n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kkl s ASP 135 N -2.03 6.41 -0.10 1.61 1.01 -0.70 -4.92 116.67 117.94 2kkl s ASP 135 Ca 0.00 0.86 -0.02 0.00 0.71 0.00 0.00 52.55 54.10 2kkl s ASP 135 Cb 0.00 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2kkl s ASP 135 CO 0.00 -0.35 -0.03 -1.61 0.21 0.00 0.00 175.17 173.39 2kkl s GLU 136 N -3.98 3.14 -0.06 8.23 2.02 -1.26 -1.26 118.70 125.53 2kkl s GLU 136 Ca 0.46 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 55.00 2kkl s GLU 136 Cb -0.10 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.36 2kkl s GLU 136 CO 0.34 0.53 -0.18 0.08 0.02 0.00 0.00 175.26 176.05 2kkl s VAL 137 N -0.44 1.56 -0.20 2.63 1.01 -0.31 -3.93 120.40 120.72 2kkl s VAL 137 Ca 0.07 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2kkl s VAL 137 Cb -0.12 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.95 2kkl s VAL 137 CO 0.02 0.45 -0.12 -1.58 0.00 0.00 0.00 175.10 173.87 2kkl s GLN 138 N 0.20 2.19 -0.08 2.72 2.00 -1.26 -1.99 119.66 123.43 2kkl s GLN 138 Ca -0.09 -0.91 -0.00 0.00 -2.00 0.00 0.00 55.36 52.36 2kkl s GLN 138 Cb -0.14 -2.50 0.02 0.00 0.80 0.00 0.00 33.01 31.20 2kkl s GLN 138 CO 0.04 -0.42 -0.04 0.42 -0.50 0.00 0.00 175.29 174.79 2kkl s ILE 139 N 1.34 0.68 -0.55 -2.34 1.01 -1.02 -4.72 121.20 115.61 2kkl s ILE 139 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2kkl s ILE 139 Cb -0.16 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.57 2kkl s ILE 139 CO -0.08 0.30 0.47 0.61 0.00 0.00 0.00 174.94 176.23 2kkl n GLY 140 N 4.79 -0.68 5.00 6.18 0.00 -1.26 -1.64 105.19 117.57 2kkl n GLY 140 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2kkl n GLY 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kkl n LYS 141 N -1.57 0.00 -1.36 1.61 0.00 -1.26 -4.45 118.16 111.13 2kkl n LYS 141 Ca -0.20 0.00 -0.53 0.00 0.00 0.00 0.00 58.31 57.58 2kkl n LYS 141 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.48 2kkl n LYS 141 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2kkl n PHE 142 N 0.00 1.14 -3.88 5.64 3.72 -0.65 -4.89 117.46 118.53 2kkl n PHE 142 Ca 0.00 0.91 -0.35 0.00 -0.05 0.00 0.00 57.45 57.96 2kkl n PHE 142 Cb 0.00 -1.78 -0.08 0.00 -0.94 0.00 0.00 39.48 36.68 2kkl n PHE 142 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2kkl s ARG 143 N 1.67 3.91 0.06 -1.08 0.52 -1.26 -2.43 118.95 120.34 2kkl s ARG 143 Ca 0.82 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.78 2kkl s ARG 143 Cb -1.16 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 31.00 2kkl s ARG 143 CO 0.60 0.41 -0.05 -0.51 0.02 0.00 0.00 175.30 175.77 2kkl s LEU 144 N 0.03 2.41 -0.02 2.53 1.02 -0.84 -2.15 118.68 121.66 2kkl s LEU 144 Ca 0.08 -0.83 0.04 0.00 0.02 0.00 0.00 54.13 53.43 2kkl s LEU 144 Cb -0.12 0.04 -0.00 0.00 0.02 0.00 0.00 46.19 46.13 2kkl s LEU 144 CO 0.00 -0.44 -0.12 0.54 0.02 0.00 0.00 176.35 176.35 2kkl s VAL 145 N -2.94 1.01 -0.36 -1.59 0.11 -0.80 -1.17 120.40 114.67 2kkl s VAL 145 Ca 0.01 -0.52 -0.20 0.00 -2.93 0.00 0.00 61.98 58.34 2kkl s VAL 145 Cb 0.01 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2kkl s VAL 145 CO -0.05 0.29 0.64 0.12 -3.33 0.00 0.00 175.10 172.77 2kkl s PHE 146 N -0.09 3.15 0.05 1.54 2.19 -0.39 -2.73 117.98 121.70 2kkl s PHE 146 Ca 0.01 0.34 0.03 0.00 0.33 0.00 0.00 56.93 57.64 2kkl s PHE 146 Cb -0.07 -3.15 -0.02 0.00 -1.31 0.00 0.00 43.02 38.46 2kkl s PHE 146 CO 0.00 -0.64 -0.10 -0.51 1.83 0.00 0.00 175.22 175.80 2kkl s LEU 147 N 2.72 2.25 -0.30 6.12 1.43 -1.08 0.23 118.68 130.04 2kkl s LEU 147 Ca 0.24 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2kkl s LEU 147 Cb -0.14 -0.30 0.11 0.00 0.03 0.00 0.00 46.19 45.89 2kkl s LEU 147 CO 0.15 -0.14 0.17 0.42 0.23 0.00 0.00 176.35 177.18 2kkl s THR 148 N -1.27 -0.10 0.00 5.49 -4.23 -1.26 -2.52 115.64 111.74 2kkl s THR 148 Ca -0.06 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2kkl s THR 148 Cb -0.10 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.76 2kkl s THR 148 CO 0.01 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 2kkl n GLY 149 N 5.11 1.54 3.05 3.99 0.00 -1.26 -4.86 105.19 112.76 2kkl n GLY 149 Ca -0.03 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 2kkl n GLY 149 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kkl n HIS 150 N 0.58 -1.05 -3.15 1.61 8.25 -1.26 -4.86 115.22 115.34 2kkl n HIS 150 Ca 0.00 0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 2kkl n HIS 150 Cb 0.00 -1.77 -0.07 0.00 1.12 0.00 0.00 29.99 29.27 2kkl n HIS 150 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2kkl s LYS 151 N -0.95 3.51 -0.29 -0.41 1.02 -1.26 -4.96 119.74 116.39 2kkl s LYS 151 Ca -0.02 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 2kkl s LYS 151 Cb 0.00 -3.86 0.19 0.00 -0.52 0.00 0.00 37.83 33.64 2kkl s LYS 151 CO 0.20 -0.81 0.85 -1.14 -0.92 0.00 0.00 175.35 173.53 2kkl s GLN 152 N 2.65 0.33 0.00 1.68 0.74 -1.26 -5.00 119.66 118.80 2kkl s GLN 152 Ca 0.22 0.34 0.28 0.00 0.05 0.00 0.00 55.36 56.25 2kkl s GLN 152 Cb -0.15 0.16 1.10 0.00 1.10 0.00 0.00 33.01 35.22 2kkl s GLN 152 CO 0.16 -0.59 1.77 0.41 -0.55 0.00 0.00 175.29 176.49 2kkl n GLY 153 N 5.26 -0.56 3.82 2.59 0.00 -1.26 -4.89 105.19 110.14 2kkl n GLY 153 Ca 0.07 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2kkl n GLY 153 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kkl s GLU 154 N -2.29 3.83 -1.12 1.61 2.12 -1.26 -4.07 118.70 117.52 2kkl s GLU 154 Ca 0.32 1.14 -0.10 0.00 0.36 0.00 0.00 54.97 56.70 2kkl s GLU 154 Cb 0.20 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 2kkl s GLU 154 CO 0.44 -0.38 0.86 -0.25 -0.54 0.00 0.00 175.26 175.39 2kkl n ASP 155 N -1.33 -5.27 -4.77 -1.70 8.00 -1.26 -4.92 116.55 105.29 2kkl n ASP 155 Ca 0.08 -0.82 -0.38 0.00 0.71 0.00 0.00 54.79 54.38 2kkl n ASP 155 Cb 0.53 -4.48 -0.02 0.00 -0.02 0.00 0.00 41.12 37.13 2kkl n ASP 155 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kkl s LEU 156 N -5.95 4.14 -1.04 0.64 1.43 -1.26 -2.69 118.68 113.95 2kkl s LEU 156 Ca 0.38 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2kkl s LEU 156 Cb -0.08 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2kkl s LEU 156 CO 0.79 -0.71 0.00 1.21 0.23 0.00 0.00 176.35 177.87 2kkl n GLU 157 N -0.08 -1.83 -3.76 1.70 2.13 -1.26 -4.89 120.64 112.66 2kkl n GLU 157 Ca 0.05 0.58 -0.13 0.00 0.66 0.00 0.00 57.16 58.33 2kkl n GLU 157 Cb 0.47 -5.00 -0.11 0.00 0.27 0.00 0.00 31.44 27.07 2kkl n GLU 157 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kkl s HIS 158 N -2.27 -0.35 -0.09 4.31 2.46 -1.10 -5.15 115.29 113.11 2kkl s HIS 158 Ca 0.00 0.83 -0.04 0.00 0.47 0.00 0.00 55.06 56.33 2kkl s HIS 158 Cb 0.00 0.11 0.05 0.00 -0.13 0.00 0.00 32.58 32.61 2kkl s HIS 158 CO 0.00 -0.19 0.18 -1.01 -2.47 0.00 0.00 174.74 171.25 2kkl s HIS 159 N 0.46 -0.22 0.16 3.88 3.76 -1.26 -4.80 115.29 117.27 2kkl s HIS 159 Ca -0.02 0.66 -0.10 0.00 -0.15 0.00 0.00 55.06 55.45 2kkl s HIS 159 Cb -0.04 -0.19 0.02 0.00 1.11 0.00 0.00 32.58 33.48 2kkl s HIS 159 CO -0.02 -0.27 1.58 0.45 -0.85 0.00 0.00 174.74 175.62 2kkl h HIS 160 N 8.18 1.14 -3.85 1.40 3.86 -2.01 -3.43 115.15 120.44 2kkl h HIS 160 Ca -0.18 -0.25 -0.47 0.00 -1.16 0.00 0.00 60.37 58.31 2kkl h HIS 160 Cb 1.12 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 2kkl h HIS 160 CO 0.41 1.07 0.32 -1.01 0.86 0.00 0.00 177.93 179.59 2kkl s HIS 161 N -4.80 3.70 0.29 2.45 3.76 -1.26 -5.03 115.29 114.40 2kkl s HIS 161 Ca -0.12 1.75 -0.28 0.00 -0.15 0.00 0.00 55.06 56.26 2kkl s HIS 161 Cb 0.13 -2.90 -0.09 0.00 1.11 0.00 0.00 32.58 30.82 2kkl s HIS 161 CO 0.86 0.23 1.02 -1.01 -0.85 0.00 0.00 174.74 175.00 2kkl s HIS 162 N -1.59 3.68 0.00 1.40 0.09 -1.26 -5.21 115.29 112.40 2kkl s HIS 162 Ca 0.49 1.77 0.00 0.00 -0.00 0.00 0.00 55.06 57.32 2kkl s HIS 162 Cb -0.19 -3.12 0.00 0.00 -0.00 0.00 0.00 32.58 29.27 2kkl s HIS 162 CO 0.24 -0.15 0.00 1.58 -0.00 0.00 0.00 174.74 176.41