#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkl n PHE 25 N 0.00 -0.25 -1.17 6.34 7.35 -1.26 -5.14 117.46 123.33 2kkl n PHE 25 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 2kkl n PHE 25 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 2kkl n PHE 25 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2kkl n ARG 26 N 0.00 -2.36 -2.04 -4.13 1.74 -1.26 -4.74 116.66 103.88 2kkl n ARG 26 Ca 0.00 1.57 -0.35 0.00 -0.77 0.00 0.00 57.85 58.31 2kkl n ARG 26 Cb 0.00 -2.88 0.03 0.00 -1.02 0.00 0.00 32.46 28.59 2kkl n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kkl s ALA 27 N -2.10 2.57 -1.74 7.54 0.00 -1.26 -4.82 121.76 121.94 2kkl s ALA 27 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2kkl s ALA 27 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2kkl s ALA 27 CO 0.00 -1.06 0.48 -3.47 0.00 0.00 0.00 175.76 171.72 2kkl n ASP 28 N -1.69 0.00 -0.01 0.00 -0.08 -1.26 -4.62 116.55 108.88 2kkl n ASP 28 Ca 0.12 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2kkl n ASP 28 Cb 0.51 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2kkl n ASP 28 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2kkl n PHE 29 N -0.98 -0.00 -1.64 -0.67 -1.74 -1.26 -5.05 117.46 106.12 2kkl n PHE 29 Ca 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.74 2kkl n PHE 29 Cb 0.00 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 40.93 2kkl n PHE 29 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2kkl s LEU 30 N 0.00 2.82 0.35 5.98 1.43 -1.26 -4.71 118.68 123.28 2kkl s LEU 30 Ca 0.00 -0.22 0.26 0.00 -1.03 0.00 0.00 54.13 53.14 2kkl s LEU 30 Cb 0.00 -2.56 1.19 0.00 0.03 0.00 0.00 46.19 44.85 2kkl s LEU 30 CO 0.00 -3.89 1.79 -1.28 0.23 0.00 0.00 176.35 173.19 2kkl h SER 31 N 12.31 0.00 -5.31 2.29 0.87 -1.97 -3.48 113.55 118.27 2kkl h SER 31 Ca 0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2kkl h SER 31 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2kkl h SER 31 CO 1.03 0.00 -0.75 1.21 -0.53 0.00 0.00 176.83 177.79 2kkl n GLU 32 N -2.43 -2.78 -0.20 2.24 2.13 -1.26 -4.90 120.64 113.44 2kkl n GLU 32 Ca 0.01 2.34 -0.08 0.00 0.66 0.00 0.00 57.16 60.09 2kkl n GLU 32 Cb 0.18 -5.27 0.02 0.00 0.27 0.00 0.00 31.44 26.64 2kkl n GLU 32 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2kkl h LEU 33 N 2.50 0.82 -8.66 4.31 5.85 -2.00 -3.39 115.31 114.74 2kkl h LEU 33 Ca -0.02 -0.20 -0.61 0.00 0.84 0.00 0.00 57.88 57.89 2kkl h LEU 33 Cb 0.60 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.31 2kkl h LEU 33 CO 0.15 0.81 0.54 -1.81 -0.34 0.00 0.00 178.44 177.79 2kkl s ASP 34 N -6.15 6.49 0.33 1.25 1.01 -1.26 -5.03 116.67 113.30 2kkl s ASP 34 Ca -0.13 0.09 -0.11 0.00 0.71 0.00 0.00 52.55 53.11 2kkl s ASP 34 Cb 0.12 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.54 2kkl s ASP 34 CO 0.80 -1.02 0.68 0.00 0.21 0.00 0.00 175.17 175.84 2kkl s ALA 35 N 3.66 3.43 0.53 5.23 0.00 -1.26 -5.05 121.76 128.29 2kkl s ALA 35 Ca 0.36 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 2kkl s ALA 35 Cb -0.11 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2kkl s ALA 35 CO 0.25 0.24 1.29 -1.25 0.00 0.00 0.00 175.76 176.29 2kkl s PRO 36 N -3.34 3.29 -0.06 0.00 0.04 -1.26 -4.47 135.00 129.20 2kkl s PRO 36 Ca 0.50 2.08 -0.05 0.00 0.04 0.00 0.00 61.00 63.57 2kkl s PRO 36 Cb -0.10 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.18 2kkl s PRO 36 CO 0.25 -1.02 0.09 0.00 0.04 0.00 0.00 177.00 176.36 2kkl n ALA 37 N -0.93 -2.14 -0.80 8.56 0.00 -1.26 -4.93 120.51 119.01 2kkl n ALA 37 Ca 0.10 0.98 -0.30 0.00 0.00 0.00 0.00 53.44 54.22 2kkl n ALA 37 Cb 0.46 -2.23 0.25 0.00 0.00 0.00 0.00 19.45 17.92 2kkl n ALA 37 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2kkl s GLN 38 N -0.34 -1.42 0.31 0.00 -2.07 -1.26 -4.94 119.66 109.94 2kkl s GLN 38 Ca -0.11 0.24 -0.29 0.00 -1.82 0.00 0.00 55.36 53.39 2kkl s GLN 38 Cb 0.01 -1.55 -0.10 0.00 -1.09 0.00 0.00 33.01 30.28 2kkl s GLN 38 CO 0.29 -3.91 1.25 0.00 -1.32 0.00 0.00 175.29 171.60 2kkl s ALA 39 N -2.69 3.47 0.13 2.60 0.00 -1.26 -4.80 121.76 119.21 2kkl s ALA 39 Ca 0.69 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2kkl s ALA 39 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2kkl s ALA 39 CO 0.58 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2kkl n GLY 40 N 0.94 -1.81 0.01 0.00 0.00 -1.26 -4.60 105.19 98.47 2kkl n GLY 40 Ca -0.00 -1.40 0.11 0.00 0.00 0.00 0.00 46.02 44.72 2kkl n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kkl n THR 41 N -2.53 0.04 0.00 2.61 -2.24 -1.26 -4.88 114.28 106.02 2kkl n THR 41 Ca -0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2kkl n THR 41 Cb 0.20 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2kkl n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kkl n GLU 42 N -1.78 0.00 0.00 -0.78 0.00 -1.26 -5.09 120.64 111.72 2kkl n GLU 42 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2kkl n GLU 42 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2kkl n GLU 42 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2kkl n SER 43 N 0.00 0.00 0.00 -1.84 3.41 -1.26 -5.00 113.62 108.93 2kkl n SER 43 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kkl n SER 43 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kkl n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kkl n ALA 44 N -0.62 0.00 -2.40 7.33 0.00 -1.26 -4.66 120.51 118.90 2kkl n ALA 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2kkl n ALA 44 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -8.01 -1.49 0.00 0.31 -1.26 -4.93 118.33 102.94 2kkl n VAL 45 Ca 0.00 1.82 -0.30 0.00 -0.01 0.00 0.00 64.34 65.84 2kkl n VAL 45 Cb 0.00 -4.44 0.08 0.00 -0.91 0.00 0.00 33.84 28.57 2kkl n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2kkl s SER 46 N -0.37 4.71 0.00 4.52 1.04 -1.26 -5.04 113.70 117.30 2kkl s SER 46 Ca -0.06 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.87 2kkl s SER 46 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2kkl s SER 46 CO 0.15 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.13 2kkl n GLY 47 N -1.87 1.90 1.05 7.32 0.00 -1.26 -4.98 105.19 107.36 2kkl n GLY 47 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2kkl n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kkl n VAL 48 N 0.00 0.77 0.77 1.61 0.24 -1.26 -4.01 118.33 116.45 2kkl n VAL 48 Ca 0.00 -0.03 0.07 0.00 -2.04 0.00 0.00 64.34 62.35 2kkl n VAL 48 Cb 0.00 -0.90 0.39 0.00 -1.47 0.00 0.00 33.84 31.87 2kkl n VAL 48 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kkl n GLU 49 N 0.72 0.28 0.00 7.34 -0.58 -1.26 -4.80 120.64 122.35 2kkl n GLU 49 Ca 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2kkl n GLU 49 Cb 0.36 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2kkl n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kkl n GLY 50 N -0.04 3.96 2.35 0.62 0.00 -1.26 -5.10 105.19 105.73 2kkl n GLY 50 Ca 0.08 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 2kkl n GLY 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kkl n LEU 51 N 0.00 -0.48 0.00 0.99 -0.00 -1.26 -5.01 117.00 111.25 2kkl n LEU 51 Ca 0.00 -4.38 -0.08 0.00 -0.00 0.00 0.00 56.01 51.55 2kkl n LEU 51 Cb 0.00 0.60 0.08 0.00 -0.00 0.00 0.00 43.42 44.10 2kkl n LEU 51 CO 0.00 1.94 0.09 -2.65 -0.00 0.00 0.00 177.39 176.77 2kkl n PRO 52 N 2.32 -0.29 -1.76 1.47 -0.02 -1.26 -4.64 135.00 130.82 2kkl n PRO 52 Ca 0.26 -0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 60.98 2kkl n PRO 52 Cb 0.51 -0.90 0.04 0.00 -0.02 0.00 0.00 33.50 33.13 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 -2.51 3.11 0.00 0.52 0.02 -1.26 -2.79 135.00 132.10 2kkl s PRO 53 Ca 0.17 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2kkl s PRO 53 Cb -0.03 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.24 2kkl s PRO 53 CO 0.15 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 2kkl n GLY 54 N 0.74 0.79 3.26 0.52 0.00 -1.26 -5.03 105.19 104.21 2kkl n GLY 54 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 2.20 0.20 0.99 1.43 -1.12 -4.81 118.68 117.57 2kkl s LEU 55 Ca 0.00 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2kkl s LEU 55 Cb 0.00 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.26 2kkl s LEU 55 CO 0.00 0.14 0.45 0.00 0.23 0.00 0.00 176.35 177.17 2kkl s ALA 56 N -0.88 -0.48 0.06 4.21 0.00 -1.25 -4.85 121.76 118.57 2kkl s ALA 56 Ca 0.07 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.50 2kkl s ALA 56 Cb -0.09 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2kkl s ALA 56 CO 0.02 -0.78 -0.19 -0.51 0.00 0.00 0.00 175.76 174.30 2kkl s LEU 57 N -2.94 2.20 -0.00 0.00 1.43 -1.07 -2.31 118.68 115.98 2kkl s LEU 57 Ca 0.15 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2kkl s LEU 57 Cb 0.00 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 2kkl s LEU 57 CO 0.02 0.11 -0.19 -0.76 0.23 0.00 0.00 176.35 175.76 2kkl s LEU 58 N -1.33 2.06 -0.00 1.79 1.43 -0.58 -2.61 118.68 119.43 2kkl s LEU 58 Ca 0.06 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2kkl s LEU 58 Cb -0.09 -0.97 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 2kkl s LEU 58 CO 0.02 0.22 0.03 0.54 0.23 0.00 0.00 176.35 177.38 2kkl s VAL 59 N -0.51 0.04 0.09 -1.59 0.11 -1.16 -1.34 120.40 116.04 2kkl s VAL 59 Ca 0.07 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2kkl s VAL 59 Cb -0.08 -0.14 -0.06 0.00 -1.53 0.00 0.00 36.38 34.57 2kkl s VAL 59 CO -0.00 -0.16 1.20 -0.69 -3.33 0.00 0.00 175.10 172.12 2kkl s VAL 60 N -0.47 3.92 -0.14 2.04 1.01 -1.06 -1.95 120.40 123.74 2kkl s VAL 60 Ca -0.05 1.42 0.12 0.00 0.00 0.00 0.00 61.98 63.47 2kkl s VAL 60 Cb -0.03 -3.91 -0.24 0.00 0.00 0.00 0.00 36.38 32.20 2kkl s VAL 60 CO -0.00 0.14 0.30 1.17 0.00 0.00 0.00 175.10 176.70 2kkl n LYS 61 N 3.63 0.67 -3.73 2.72 3.00 -0.97 -4.43 118.16 119.04 2kkl n LYS 61 Ca 0.08 0.15 -0.13 0.00 -0.00 0.00 0.00 58.31 58.41 2kkl n LYS 61 Cb 0.46 -1.65 -0.10 0.00 0.00 0.00 0.00 35.03 33.74 2kkl n LYS 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kkl s ARG 62 N -2.54 0.51 0.00 1.64 3.52 -1.24 -5.05 118.95 115.78 2kkl s ARG 62 Ca -0.12 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 2kkl s ARG 62 Cb 0.07 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 2kkl s ARG 62 CO 0.80 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 2kkl n GLY 63 N 2.76 3.32 0.22 8.12 0.00 -1.26 -3.43 105.19 114.93 2kkl n GLY 63 Ca -0.14 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.64 1.61 0.13 -2.01 -2.42 132.00 128.68 2kkl h PRO 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kkl h PRO 64 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 64 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 2kkl n ASN 65 N -2.73 5.08 -4.49 1.44 3.02 -1.26 -4.99 115.26 111.34 2kkl n ASN 65 Ca 0.01 -2.78 -0.43 0.00 -0.03 0.00 0.00 54.58 51.35 2kkl n ASN 65 Cb 0.25 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 2kkl n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kkl n ALA 66 N 0.59 -1.33 0.00 5.41 0.00 -0.91 -1.94 120.51 122.32 2kkl n ALA 66 Ca 0.24 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2kkl n ALA 66 Cb 1.06 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.65 1.58 3.76 0.00 0.00 -1.26 -5.05 105.19 105.86 2kkl n GLY 67 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2kkl n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kkl s SER 68 N -1.63 6.85 0.01 1.61 0.15 -0.82 -4.92 113.70 114.95 2kkl s SER 68 Ca 0.00 2.59 0.02 0.00 0.70 0.00 0.00 55.95 59.26 2kkl s SER 68 Cb 0.00 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2kkl s SER 68 CO 0.00 -0.50 -0.08 -0.13 1.20 0.00 0.00 173.24 173.73 2kkl s ARG 69 N -1.34 0.59 -0.03 5.44 0.52 -1.26 -2.56 118.95 120.31 2kkl s ARG 69 Ca 0.51 -0.45 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 2kkl s ARG 69 Cb -0.38 -0.52 -0.00 0.00 0.52 0.00 0.00 34.95 34.57 2kkl s ARG 69 CO 0.48 0.13 -0.14 -0.06 0.02 0.00 0.00 175.30 175.74 2kkl s PHE 70 N -0.58 1.34 -0.20 -0.53 0.08 -0.45 -5.00 117.98 112.65 2kkl s PHE 70 Ca -0.01 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 2kkl s PHE 70 Cb -0.05 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.47 2kkl s PHE 70 CO 0.00 -0.11 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.82 2kkl s LEU 71 N 0.01 3.08 -0.38 -0.37 0.20 -1.26 -1.53 118.68 118.42 2kkl s LEU 71 Ca -0.01 -0.28 -0.21 0.00 0.69 0.00 0.00 54.13 54.32 2kkl s LEU 71 Cb -0.09 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.90 2kkl s LEU 71 CO 0.01 0.04 0.67 -0.76 -0.29 0.00 0.00 176.35 176.02 2kkl s LEU 72 N 1.11 4.28 -0.43 -0.68 1.43 -0.98 -4.94 118.68 118.47 2kkl s LEU 72 Ca 0.02 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2kkl s LEU 72 Cb -0.15 -2.83 0.24 0.00 0.03 0.00 0.00 46.19 43.49 2kkl s LEU 72 CO 0.00 -0.68 0.64 -0.67 0.23 0.00 0.00 176.35 175.88 2kkl n ASP 73 N 6.20 -1.00 0.00 2.29 -0.08 -1.26 -3.75 116.55 118.95 2kkl n ASP 73 Ca -0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 54.79 50.39 2kkl n ASP 73 Cb 0.48 0.26 0.00 0.00 2.34 0.00 0.00 41.12 44.20 2kkl n ASP 73 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2kkl n GLN 74 N 1.62 0.00 -3.60 -0.67 -0.06 -1.26 -5.16 117.38 108.24 2kkl n GLN 74 Ca 0.17 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 55.15 2kkl n GLN 74 Cb 0.56 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.68 2kkl n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kkl s ALA 75 N -1.00 -2.26 -0.33 1.69 0.00 -1.26 -5.03 121.76 113.57 2kkl s ALA 75 Ca 0.00 2.23 -0.09 0.00 0.00 0.00 0.00 51.96 54.10 2kkl s ALA 75 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2kkl s ALA 75 CO 0.00 -0.50 0.35 -0.89 0.00 0.00 0.00 175.76 174.73 2kkl n ILE 76 N 4.15 -9.74 -3.61 0.00 2.08 -1.26 -4.98 119.36 106.00 2kkl n ILE 76 Ca -0.17 0.97 -0.37 0.00 0.56 0.00 0.00 62.75 63.74 2kkl n ILE 76 Cb 0.56 -6.64 -0.10 0.00 -0.75 0.00 0.00 39.64 32.71 2kkl n ILE 76 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2kkl s THR 77 N -2.05 5.33 0.52 1.39 2.01 -0.59 -4.94 115.64 117.32 2kkl s THR 77 Ca 0.15 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 2kkl s THR 77 Cb -0.04 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2kkl s THR 77 CO 0.64 0.30 0.77 -0.55 -0.69 0.00 0.00 174.62 175.09 2kkl s SER 78 N 1.28 5.56 0.19 3.53 0.15 -1.26 -0.46 113.70 122.68 2kkl s SER 78 Ca 0.08 0.29 0.09 0.00 0.70 0.00 0.00 55.95 57.11 2kkl s SER 78 Cb -0.14 -1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 62.77 2kkl s SER 78 CO 0.07 -0.95 -0.07 0.00 1.20 0.00 0.00 173.24 173.49 2kkl s ALA 79 N -2.74 3.02 0.00 5.45 0.00 -0.81 -4.43 121.76 122.25 2kkl s ALA 79 Ca 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2kkl s ALA 79 Cb -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2kkl s ALA 79 CO 0.40 0.45 0.00 0.41 0.00 0.00 0.00 175.76 177.02 2kkl n GLY 80 N -0.07 0.85 3.13 0.00 0.00 -1.25 -3.61 105.19 104.24 2kkl n GLY 80 Ca -0.10 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 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 2.37 0.00 1.61 0.52 -0.96 -2.32 118.95 120.17 2kkl s ARG 81 Ca 0.00 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2kkl s ARG 81 Cb 0.00 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.60 2kkl s ARG 81 CO 0.00 0.13 0.00 0.72 0.02 0.00 0.00 175.30 176.17 2kkl n HIS 82 N 3.59 0.00 0.13 -0.53 8.25 -1.26 -4.85 115.22 120.55 2kkl n HIS 82 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 2kkl n HIS 82 Cb 0.52 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.86 2kkl n HIS 82 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kkl h PRO 83 N 0.00 0.09 -0.02 -0.41 0.13 -1.99 -2.77 132.00 127.03 2kkl h PRO 83 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2kkl h PRO 83 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kkl h PRO 83 CO 0.00 0.57 -0.02 -0.40 -0.23 0.00 0.00 178.00 177.92 2kkl n ASP 84 N -3.95 1.92 -4.60 1.44 5.68 -1.26 -4.82 116.55 110.96 2kkl n ASP 84 Ca -0.02 -1.62 -0.40 0.00 -0.50 0.00 0.00 54.79 52.26 2kkl n ASP 84 Cb 0.52 0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 40.43 2kkl n ASP 84 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2kkl s SER 85 N -2.02 6.30 0.20 -1.12 0.15 -1.05 -4.60 113.70 111.55 2kkl s SER 85 Ca 0.34 0.26 -0.08 0.00 0.70 0.00 0.00 55.95 57.17 2kkl s SER 85 Cb 0.21 -2.23 0.11 0.00 -1.71 0.00 0.00 66.02 62.39 2kkl s SER 85 CO 0.33 -0.26 1.70 0.44 1.20 0.00 0.00 173.24 176.65 2kkl h ASP 86 N 8.20 1.08 -3.30 5.45 3.32 -1.85 -3.42 116.42 125.90 2kkl h ASP 86 Ca -0.30 -0.25 -0.57 0.00 0.02 0.00 0.00 57.03 55.93 2kkl h ASP 86 Cb 1.15 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 2kkl h ASP 86 CO 0.68 1.06 0.42 -0.63 -1.72 0.00 0.00 179.24 179.05 2kkl s ILE 87 N -5.23 4.86 -0.31 0.35 1.09 -1.26 -4.96 121.20 115.74 2kkl s ILE 87 Ca -0.12 1.81 0.02 0.00 -1.10 0.00 0.00 60.65 61.26 2kkl s ILE 87 Cb 0.14 -4.21 0.09 0.00 -1.06 0.00 0.00 42.46 37.43 2kkl s ILE 87 CO 0.85 0.05 0.04 0.12 -0.10 0.00 0.00 174.94 175.90 2kkl s PHE 88 N 1.85 2.84 -0.33 3.97 5.36 -1.26 -4.02 117.98 126.40 2kkl s PHE 88 Ca 0.43 -2.35 -0.08 0.00 -0.96 0.00 0.00 56.93 53.98 2kkl s PHE 88 Cb -0.18 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.27 2kkl s PHE 88 CO 0.16 -0.89 0.12 -0.51 -1.46 0.00 0.00 175.22 172.64 2kkl s LEU 89 N 1.23 4.19 -1.16 6.12 1.43 -0.98 -5.03 118.68 124.48 2kkl s LEU 89 Ca 0.07 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.17 2kkl s LEU 89 Cb -0.18 -1.92 0.19 0.00 0.03 0.00 0.00 46.19 44.30 2kkl s LEU 89 CO -0.13 -0.27 1.34 -1.81 0.23 0.00 0.00 176.35 175.71 2kkl s ASP 90 N 1.50 7.07 -0.20 2.29 1.01 -1.26 -4.70 116.67 122.37 2kkl s ASP 90 Ca 0.02 -3.00 -0.21 0.00 0.71 0.00 0.00 52.55 50.07 2kkl s ASP 90 Cb -0.18 -2.37 0.06 0.00 1.01 0.00 0.00 42.92 41.44 2kkl s ASP 90 CO 0.04 -0.70 0.58 -0.62 0.21 0.00 0.00 175.17 174.68 2kkl s ASP 91 N 2.65 -0.60 0.53 0.27 -1.08 -1.26 -5.02 116.67 112.16 2kkl s ASP 91 Ca 0.39 1.12 0.30 0.00 -0.52 0.00 0.00 52.55 53.85 2kkl s ASP 91 Cb -0.04 1.13 1.40 0.00 -1.46 0.00 0.00 42.92 43.95 2kkl s ASP 91 CO -0.02 -0.23 2.02 -0.37 0.52 0.00 0.00 175.17 177.08 2kkl h VAL 92 N 4.15 0.34 0.00 1.11 -1.51 -2.00 -2.38 116.25 115.96 2kkl h VAL 92 Ca -0.28 -0.63 -0.05 0.00 -1.23 0.00 0.00 66.70 64.51 2kkl h VAL 92 Cb 1.17 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2kkl h VAL 92 CO 0.16 0.10 -0.26 0.71 -1.23 0.00 0.00 177.57 177.05 2kkl h THR 93 N 0.00 1.10 -3.34 7.19 1.35 -1.98 -3.41 112.91 113.82 2kkl h THR 93 Ca -0.00 -0.92 -0.62 0.00 -0.55 0.00 0.00 66.41 64.32 2kkl h THR 93 Cb 0.46 1.51 -0.16 0.00 -1.73 0.00 0.00 68.15 68.23 2kkl h THR 93 CO 0.01 0.25 -0.56 -0.69 -0.25 0.00 0.00 175.52 174.29 2kkl s VAL 94 N -4.35 4.84 1.01 6.82 1.01 -0.90 -4.54 120.40 124.30 2kkl s VAL 94 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2kkl s VAL 94 Cb 0.15 -3.20 0.19 0.00 0.00 0.00 0.00 36.38 33.53 2kkl s VAL 94 CO 0.69 0.44 1.13 -0.94 0.00 0.00 0.00 175.10 176.43 2kkl s SER 95 N 0.51 2.59 0.20 3.32 1.04 -1.26 -4.75 113.70 115.34 2kkl s SER 95 Ca 0.04 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.24 2kkl s SER 95 Cb -0.13 -1.37 0.14 0.00 0.10 0.00 0.00 66.02 64.77 2kkl s SER 95 CO 0.01 -3.12 1.85 0.03 0.98 0.00 0.00 173.24 172.99 2kkl h ARG 96 N -1.89 0.80 0.00 4.02 3.08 -1.93 -3.37 114.38 115.09 2kkl h ARG 96 Ca -0.50 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.28 2kkl h ARG 96 Cb 1.32 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2kkl h ARG 96 CO 0.52 0.53 -1.67 0.54 -1.07 0.00 0.00 179.97 178.82 2kkl n ARG 97 N -4.68 0.34 0.00 0.04 1.74 -1.24 -2.27 116.66 110.60 2kkl n ARG 97 Ca 0.06 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2kkl n ARG 97 Cb 0.06 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 -3.79 0.00 -4.06 -1.55 -0.00 -1.26 -3.71 115.22 100.84 2kkl n HIS 98 Ca -0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.35 2kkl n HIS 98 Cb 0.65 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.55 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 -0.26 0.49 0.04 1.57 0.00 -1.26 -4.03 121.76 118.30 2kkl s ALA 99 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2kkl s ALA 99 Cb 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2kkl s ALA 99 CO 0.00 -0.50 -0.12 -2.00 0.00 0.00 0.00 175.76 173.15 2kkl s GLU 100 N -3.98 0.78 -0.04 0.00 2.12 -0.90 -1.93 118.70 114.75 2kkl s GLU 100 Ca 0.17 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.84 2kkl s GLU 100 Cb 0.06 -0.74 -0.03 0.00 0.26 0.00 0.00 34.13 33.69 2kkl s GLU 100 CO -0.03 0.18 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.66 2kkl s PHE 101 N -0.89 2.69 0.02 5.30 0.08 0.39 -1.56 117.98 124.00 2kkl s PHE 101 Ca -0.01 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 56.93 2kkl s PHE 101 Cb -0.08 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2kkl s PHE 101 CO 0.01 0.19 -0.16 1.03 -0.10 0.00 0.00 175.22 176.19 2kkl s ARG 102 N -0.80 1.17 -0.24 0.44 0.52 -0.64 -1.54 118.95 117.86 2kkl s ARG 102 Ca 0.12 -0.70 -0.08 0.00 -0.52 0.00 0.00 55.73 54.55 2kkl s ARG 102 Cb -0.11 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 2kkl s ARG 102 CO 0.01 0.31 0.10 -1.17 0.02 0.00 0.00 175.30 174.57 2kkl s LEU 103 N -0.79 3.73 0.00 2.53 2.96 -1.26 0.06 118.68 125.91 2kkl s LEU 103 Ca 0.05 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2kkl s LEU 103 Cb -0.07 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2kkl s LEU 103 CO 0.01 0.03 0.00 1.21 -1.32 0.00 0.00 176.35 176.27 2kkl n GLU 104 N 4.53 0.00 -0.21 1.98 2.13 -0.87 -4.91 120.64 123.28 2kkl n GLU 104 Ca -0.16 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.58 2kkl n GLU 104 Cb 0.52 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.25 2kkl n GLU 104 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2kkl h ASN 105 N 0.00 0.99 0.00 4.31 2.35 -2.02 -3.41 115.58 117.79 2kkl h ASN 105 Ca 0.00 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 2kkl h ASN 105 Cb 0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2kkl h ASN 105 CO 0.00 1.02 -0.06 -0.46 -1.65 0.00 0.00 177.43 176.28 2kkl n ASN 106 N -4.25 -0.20 -3.83 5.81 6.94 -1.26 -4.88 115.26 113.59 2kkl n ASN 106 Ca 0.03 -0.46 -0.13 0.00 -0.02 0.00 0.00 54.58 54.00 2kkl n ASN 106 Cb 0.31 0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.64 2kkl n ASN 106 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2kkl s GLU 107 N 0.00 0.02 0.38 -3.83 2.02 -1.26 -4.05 118.70 111.98 2kkl s GLU 107 Ca 0.00 0.11 -0.24 0.00 0.02 0.00 0.00 54.97 54.86 2kkl s GLU 107 Cb 0.00 -0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.06 2kkl s GLU 107 CO 0.00 -0.06 0.96 -0.06 0.02 0.00 0.00 175.26 176.12 2kkl s PHE 108 N 0.39 3.48 0.19 1.61 0.08 -1.26 -2.04 117.98 120.42 2kkl s PHE 108 Ca -0.03 1.70 0.06 0.00 0.12 0.00 0.00 56.93 58.77 2kkl s PHE 108 Cb -0.04 -2.92 -0.05 0.00 -0.57 0.00 0.00 43.02 39.44 2kkl s PHE 108 CO -0.01 -0.02 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.18 2kkl s ASN 109 N -1.84 2.15 -0.10 1.36 0.01 0.11 -1.63 114.94 115.00 2kkl s ASN 109 Ca 0.56 -1.05 0.02 0.00 -0.71 0.00 0.00 52.86 51.69 2kkl s ASN 109 Cb -0.15 -0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.45 2kkl s ASN 109 CO 0.20 -0.29 -0.18 0.54 -1.51 0.00 0.00 177.10 175.86 2kkl s VAL 110 N -3.18 1.65 -0.03 1.60 0.11 -0.56 -1.62 120.40 118.37 2kkl s VAL 110 Ca 0.21 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2kkl s VAL 110 Cb 0.02 -1.48 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 2kkl s VAL 110 CO 0.04 0.47 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.52 2kkl s VAL 111 N 0.77 0.72 0.45 2.04 1.01 -0.60 -2.47 120.40 122.32 2kkl s VAL 111 Ca -0.11 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 2kkl s VAL 111 Cb -0.16 -0.67 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 2kkl s VAL 111 CO 0.01 0.24 0.94 1.51 0.00 0.00 0.00 175.10 177.81 2kkl s ASP 112 N 0.40 6.80 -0.04 3.32 -4.77 -1.26 -2.12 116.67 119.00 2kkl s ASP 112 Ca -0.06 1.60 0.19 0.00 -3.30 0.00 0.00 52.55 50.97 2kkl s ASP 112 Cb -0.10 -2.51 0.60 0.00 -1.09 0.00 0.00 42.92 39.82 2kkl s ASP 112 CO 0.01 -0.44 1.51 1.33 0.70 0.00 0.00 175.17 178.28 2kkl n VAL 113 N -1.00 1.28 -0.79 2.11 0.24 -1.26 -4.89 118.33 114.02 2kkl n VAL 113 Ca 0.06 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 2kkl n VAL 113 Cb 0.54 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 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 1.20 0.55 3.37 7.63 0.00 -1.26 -5.03 105.19 111.65 2kkl n GLY 114 Ca 0.22 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2kkl n GLY 114 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kkl n SER 115 N 0.84 -2.59 -0.27 1.61 2.88 -1.26 -4.89 113.62 109.94 2kkl n SER 115 Ca 0.00 -0.39 -0.06 0.00 -1.33 0.00 0.00 58.87 57.09 2kkl n SER 115 Cb 0.00 -1.15 0.06 0.00 -0.75 0.00 0.00 64.21 62.37 2kkl n SER 115 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kkl h LEU 116 N -2.95 0.99 -8.84 2.46 -0.00 -1.96 -3.39 115.31 101.63 2kkl h LEU 116 Ca -0.56 -0.14 -0.61 0.00 -0.00 0.00 0.00 57.88 56.57 2kkl h LEU 116 Cb 1.33 -0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 41.63 2kkl h LEU 116 CO 0.42 0.86 0.44 0.21 -0.00 0.00 0.00 178.44 180.36 2kkl s ASN 117 N -6.20 6.61 -0.59 -0.43 2.47 -1.26 -5.00 114.94 110.54 2kkl s ASN 117 Ca -0.13 0.48 -0.26 0.00 0.42 0.00 0.00 52.86 53.37 2kkl s ASN 117 Cb 0.15 -2.42 0.04 0.00 -1.45 0.00 0.00 41.25 37.57 2kkl s ASN 117 CO 0.82 -0.74 1.10 -0.83 -3.72 0.00 0.00 177.10 173.73 2kkl s GLY 118 N 1.80 1.22 0.31 1.21 0.00 -1.26 -4.96 107.32 105.64 2kkl s GLY 118 Ca 0.33 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 2kkl s GLY 118 CO 0.16 2.33 1.45 -1.59 0.00 0.00 0.00 173.10 175.45 2kkl s THR 119 N 4.63 2.39 0.07 0.90 2.01 -1.26 -5.02 115.64 119.36 2kkl s THR 119 Ca 0.36 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 2kkl s THR 119 Cb -0.10 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2kkl s THR 119 CO 0.21 0.07 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.47 2kkl s TYR 120 N -0.62 0.65 -0.18 4.92 -0.85 -1.26 -4.40 117.35 115.61 2kkl s TYR 120 Ca 0.55 -1.05 -0.06 0.00 -0.52 0.00 0.00 57.07 55.99 2kkl s TYR 120 Cb -0.44 -0.44 -0.03 0.00 0.38 0.00 0.00 41.96 41.43 2kkl s TYR 120 CO 0.52 -0.34 0.03 0.54 -1.52 0.00 0.00 175.55 174.78 2kkl s VAL 121 N -3.86 4.41 0.00 -3.49 0.11 -1.25 -4.38 120.40 111.93 2kkl s VAL 121 Ca 0.10 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2kkl s VAL 121 Cb 0.07 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 2kkl s VAL 121 CO -0.07 0.45 0.00 0.59 -3.33 0.00 0.00 175.10 172.74 2kkl n ASN 122 N 3.77 0.00 -2.70 3.54 3.02 -1.24 -0.94 115.26 120.71 2kkl n ASN 122 Ca -0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.35 2kkl n ASN 122 Cb 0.52 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.81 2kkl n ASN 122 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2kkl n ARG 123 N 0.00 1.37 -3.26 3.52 0.63 -1.26 -5.04 116.66 112.62 2kkl n ARG 123 Ca 0.00 -1.68 -0.18 0.00 -0.92 0.00 0.00 57.85 55.07 2kkl n ARG 123 Cb 0.00 0.03 -0.07 0.00 0.45 0.00 0.00 32.46 32.87 2kkl n ARG 123 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kkl s GLU 124 N -0.44 0.80 0.25 -0.14 2.02 -0.11 -5.13 118.70 115.95 2kkl s GLU 124 Ca 0.15 -1.30 -0.31 0.00 0.02 0.00 0.00 54.97 53.52 2kkl s GLU 124 Cb 0.42 -0.82 -0.13 0.00 0.10 0.00 0.00 34.13 33.70 2kkl s GLU 124 CO -0.10 -1.28 1.52 -2.30 0.02 0.00 0.00 175.26 173.11 2kkl n PRO 125 N 3.55 2.34 -3.95 0.39 -0.02 -1.26 -3.84 135.00 132.21 2kkl n PRO 125 Ca 0.18 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.41 2kkl n PRO 125 Cb 0.48 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.17 0.11 0.32 -1.45 -7.23 -1.26 -4.99 120.40 106.07 2kkl s VAL 126 Ca 0.68 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 2kkl s VAL 126 Cb -0.59 -1.66 0.12 0.00 0.56 0.00 0.00 36.38 34.81 2kkl s VAL 126 CO 0.46 -0.49 1.82 0.44 -0.31 0.00 0.00 175.10 177.02 2kkl h ASP 127 N 2.70 0.44 -5.08 4.85 3.32 -1.94 -3.45 116.42 117.25 2kkl h ASP 127 Ca -0.33 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 2kkl h ASP 127 Cb 1.21 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 2kkl h ASP 127 CO 0.54 0.60 -0.09 -0.94 -1.72 0.00 0.00 179.24 177.63 2kkl s SER 128 N -6.79 -0.21 0.07 6.45 1.04 -1.26 -4.05 113.70 108.95 2kkl s SER 128 Ca -0.07 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.80 2kkl s SER 128 Cb 0.15 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.79 2kkl s SER 128 CO 0.77 -0.84 0.55 0.00 0.98 0.00 0.00 173.24 174.70 2kkl s ALA 129 N -3.78 -1.43 -0.17 5.32 0.00 -1.03 -5.03 121.76 115.64 2kkl s ALA 129 Ca 0.03 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 2kkl s ALA 129 Cb 0.02 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2kkl s ALA 129 CO -0.12 -0.57 0.02 0.08 0.00 0.00 0.00 175.76 175.18 2kkl s VAL 130 N -2.73 4.44 0.40 0.00 1.01 -1.26 -1.50 120.40 120.77 2kkl s VAL 130 Ca -0.04 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 2kkl s VAL 130 Cb -0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2kkl s VAL 130 CO -0.04 0.48 1.04 -0.76 0.00 0.00 0.00 175.10 175.81 2kkl s LEU 131 N 0.34 4.12 0.05 3.92 1.43 -0.65 -4.97 118.68 122.92 2kkl s LEU 131 Ca 0.00 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 54.97 2kkl s LEU 131 Cb -0.13 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 41.89 2kkl s LEU 131 CO 0.01 -0.47 0.29 0.00 0.23 0.00 0.00 176.35 176.41 2kkl s ALA 132 N -1.70 -0.63 -0.17 4.21 0.00 -1.26 -4.66 121.76 117.54 2kkl s ALA 132 Ca 0.58 -0.06 -0.39 0.00 0.00 0.00 0.00 51.96 52.09 2kkl s ALA 132 Cb -0.21 0.34 -0.16 0.00 0.00 0.00 0.00 23.12 23.10 2kkl s ALA 132 CO 0.26 -0.42 1.64 0.09 0.00 0.00 0.00 175.76 177.33 2kkl n ASN 133 N 0.52 2.24 0.00 0.00 3.02 -1.26 -0.37 115.26 119.41 2kkl n ASN 133 Ca -0.18 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2kkl n ASN 133 Cb 0.60 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2kkl n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kkl n GLY 134 N 3.74 0.66 3.87 7.41 0.00 -1.14 -5.02 105.19 114.70 2kkl n GLY 134 Ca 0.24 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.50 6.63 -0.13 1.61 1.11 0.50 -4.96 116.67 118.93 2kkl s ASP 135 Ca 0.00 1.10 0.00 0.00 0.18 0.00 0.00 52.55 53.83 2kkl s ASP 135 Cb 0.00 -2.30 -0.01 0.00 1.07 0.00 0.00 42.92 41.68 2kkl s ASP 135 CO 0.00 -0.24 -0.14 -1.61 1.18 0.00 0.00 175.17 174.36 2kkl s GLU 136 N -3.27 3.34 -0.07 8.23 2.02 -1.26 -1.09 118.70 126.59 2kkl s GLU 136 Ca 0.51 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.82 2kkl s GLU 136 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.54 2kkl s GLU 136 CO 0.24 0.21 -0.18 0.08 0.02 0.00 0.00 175.26 175.63 2kkl s VAL 137 N 0.35 1.57 -0.14 2.63 1.01 0.26 -3.73 120.40 122.35 2kkl s VAL 137 Ca -0.12 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2kkl s VAL 137 Cb -0.16 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2kkl s VAL 137 CO 0.06 0.45 -0.18 -1.58 0.00 0.00 0.00 175.10 173.86 2kkl s GLN 138 N 0.41 3.18 -0.10 2.72 0.74 -1.26 -0.78 119.66 124.56 2kkl s GLN 138 Ca -0.14 -0.78 0.03 0.00 0.05 0.00 0.00 55.36 54.52 2kkl s GLN 138 Cb -0.16 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.41 2kkl s GLN 138 CO 0.05 0.06 -0.22 0.42 -0.55 0.00 0.00 175.29 175.06 2kkl s ILE 139 N 0.68 1.93 0.00 -2.34 1.01 -0.73 -4.64 121.20 117.11 2kkl s ILE 139 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.63 2kkl s ILE 139 Cb -0.16 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2kkl s ILE 139 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2kkl n GLY 140 N 3.66 1.33 0.01 6.18 0.00 -1.26 -0.63 105.19 114.48 2kkl n GLY 140 Ca -0.20 0.59 0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.53 -2.73 1.61 4.81 -1.26 -5.00 118.16 116.11 2kkl n LYS 141 Ca 0.00 -0.08 -0.35 0.00 -0.87 0.00 0.00 58.31 57.02 2kkl n LYS 141 Cb 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 2kkl n LYS 141 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kkl s PHE 142 N -2.61 3.34 -0.15 5.64 0.08 0.19 -5.01 117.98 119.46 2kkl s PHE 142 Ca -0.04 1.65 -0.00 0.00 0.12 0.00 0.00 56.93 58.66 2kkl s PHE 142 Cb 0.06 -2.94 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2kkl s PHE 142 CO 0.39 -0.23 -0.14 0.50 -0.10 0.00 0.00 175.22 175.65 2kkl s ARG 143 N -2.83 3.29 0.14 0.44 3.52 -1.22 -1.77 118.95 120.51 2kkl s ARG 143 Ca 0.60 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 55.53 2kkl s ARG 143 Cb -0.14 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.57 2kkl s ARG 143 CO 0.19 0.08 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.11 2kkl s LEU 144 N 0.66 2.44 -0.04 -0.88 1.02 0.04 -2.30 118.68 119.62 2kkl s LEU 144 Ca -0.07 -0.86 0.04 0.00 0.02 0.00 0.00 54.13 53.26 2kkl s LEU 144 Cb -0.16 -0.55 -0.00 0.00 0.02 0.00 0.00 46.19 45.50 2kkl s LEU 144 CO 0.02 -0.16 -0.16 0.54 0.02 0.00 0.00 176.35 176.61 2kkl s VAL 145 N -2.37 1.35 -0.28 -1.59 0.11 -0.82 -0.58 120.40 116.22 2kkl s VAL 145 Ca 0.12 -0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 58.32 2kkl s VAL 145 Cb -0.04 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2kkl s VAL 145 CO 0.03 0.39 0.51 0.12 -3.33 0.00 0.00 175.10 172.83 2kkl s PHE 146 N 0.06 3.24 0.04 1.54 5.36 -0.25 -2.99 117.98 124.98 2kkl s PHE 146 Ca -0.04 0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 2kkl s PHE 146 Cb -0.11 -2.77 -0.02 0.00 -0.34 0.00 0.00 43.02 39.77 2kkl s PHE 146 CO 0.02 -0.35 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.83 2kkl s LEU 147 N 2.33 2.23 -0.20 6.12 1.43 -1.07 -2.60 118.68 126.92 2kkl s LEU 147 Ca 0.20 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2kkl s LEU 147 Cb -0.16 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 45.85 2kkl s LEU 147 CO 0.10 -0.14 -0.00 0.42 0.23 0.00 0.00 176.35 176.96 2kkl s THR 148 N -1.21 0.93 0.00 5.49 -4.23 -1.26 -2.60 115.64 112.75 2kkl s THR 148 Ca -0.07 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2kkl s THR 148 Cb -0.09 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.43 2kkl s THR 148 CO 0.01 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 2kkl n GLY 149 N 4.90 -0.15 2.87 3.99 0.00 -1.26 -4.76 105.19 110.79 2kkl n GLY 149 Ca -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 2kkl n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kkl n HIS 150 N 0.00 -3.07 -1.84 1.61 -0.00 -1.26 -4.85 115.22 105.82 2kkl n HIS 150 Ca 0.00 1.34 -0.41 0.00 -0.00 0.00 0.00 57.72 58.65 2kkl n HIS 150 Cb 0.00 -3.31 -0.02 0.00 -0.00 0.00 0.00 29.99 26.66 2kkl n HIS 150 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2kkl s LYS 151 N -1.67 4.16 0.42 1.57 -2.85 -1.26 -4.96 119.74 115.15 2kkl s LYS 151 Ca 0.05 2.51 -0.23 0.00 -1.00 0.00 0.00 55.97 57.30 2kkl s LYS 151 Cb -0.01 -3.04 -0.08 0.00 -2.06 0.00 0.00 37.83 32.64 2kkl s LYS 151 CO 0.63 -0.57 1.09 -1.14 0.10 0.00 0.00 175.35 175.46 2kkl s GLN 152 N -0.60 4.00 0.94 1.78 2.00 -1.26 -5.03 119.66 121.50 2kkl s GLN 152 Ca 0.61 1.61 -0.12 0.00 -2.00 0.00 0.00 55.36 55.46 2kkl s GLN 152 Cb -0.46 -2.48 0.15 0.00 0.80 0.00 0.00 33.01 31.02 2kkl s GLN 152 CO 0.48 -0.30 1.10 0.20 -0.50 0.00 0.00 175.29 176.27 2kkl s GLY 153 N -1.49 1.58 -0.80 2.59 0.00 -1.26 -3.32 107.32 104.63 2kkl s GLY 153 Ca 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2kkl s GLY 153 CO 0.30 0.24 0.00 1.18 0.00 0.00 0.00 173.10 174.82 2kkl n GLU 154 N -3.96 -1.73 0.00 2.90 1.02 -1.26 -4.84 120.64 112.78 2kkl n GLU 154 Ca 0.06 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2kkl n GLU 154 Cb 0.57 -4.89 0.00 0.00 -0.02 0.00 0.00 31.44 27.11 2kkl n GLU 154 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kkl n ASP 155 N -0.56 0.00 0.00 1.62 -0.08 -1.21 -4.80 116.55 111.52 2kkl n ASP 155 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2kkl n ASP 155 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2kkl n ASP 155 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2kkl n LEU 156 N -0.53 0.00 -4.34 -2.67 4.77 -1.26 -4.80 117.00 108.17 2kkl n LEU 156 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 2kkl n LEU 156 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2kkl n LEU 156 CO 0.00 0.00 -0.35 -0.62 -1.33 0.00 0.00 177.39 175.09 2kkl n GLU 157 N 0.00 0.20 -4.17 3.23 -0.58 -1.26 -4.98 120.64 113.08 2kkl n GLU 157 Ca 0.00 0.08 -0.23 0.00 -0.42 0.00 0.00 57.16 56.59 2kkl n GLU 157 Cb 0.00 -1.26 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 2kkl n GLU 157 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kkl s HIS 158 N -1.84 2.76 0.56 -0.32 3.76 -1.26 -5.02 115.29 113.92 2kkl s HIS 158 Ca 0.61 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2kkl s HIS 158 Cb -0.50 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2kkl s HIS 158 CO 0.61 0.47 0.00 0.72 -0.85 0.00 0.00 174.74 175.70 2kkl n HIS 159 N -1.06 -3.85 -2.97 1.40 8.25 -1.26 -4.86 115.22 110.87 2kkl n HIS 159 Ca -0.05 2.10 -0.33 0.00 -0.26 0.00 0.00 57.72 59.18 2kkl n HIS 159 Cb 0.60 -3.31 -0.07 0.00 1.12 0.00 0.00 29.99 28.33 2kkl n HIS 159 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kkl s HIS 160 N -5.01 3.39 0.19 4.41 0.09 -1.26 -4.97 115.29 112.13 2kkl s HIS 160 Ca 0.00 1.45 -0.13 0.00 -0.00 0.00 0.00 55.06 56.38 2kkl s HIS 160 Cb 0.00 -2.71 0.10 0.00 -0.00 0.00 0.00 32.58 29.97 2kkl s HIS 160 CO 0.00 0.04 1.86 0.45 -0.00 0.00 0.00 174.74 177.08 2kkl h HIS 161 N 2.28 0.78 -3.50 1.40 -0.00 -2.02 -3.39 115.15 110.70 2kkl h HIS 161 Ca -0.48 0.02 -0.60 0.00 -0.00 0.00 0.00 60.37 59.30 2kkl h HIS 161 Cb 1.18 -0.26 -0.11 0.00 -0.00 0.00 0.00 27.41 28.21 2kkl h HIS 161 CO 0.62 0.49 -0.09 -3.38 -0.00 0.00 0.00 177.93 175.57 2kkl s HIS 162 N -6.14 3.35 0.00 2.45 -3.43 -1.26 -5.29 115.29 104.97 2kkl s HIS 162 Ca -0.13 0.69 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 2kkl s HIS 162 Cb 0.13 -2.63 0.00 0.00 -1.43 0.00 0.00 32.58 28.65 2kkl s HIS 162 CO 0.76 -0.11 0.00 0.72 -2.00 0.00 0.00 174.74 174.11